data_2k6a_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 2k6a _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.52 116.74 29.27 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.089 0.471 . . . . 0.0 110.995 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.98 100.43 12.13 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.564 178.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.758 ' HB ' HG23 ' A' ' 9' ' ' THR . 1.0 OUTLIER -82.06 150.36 4.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.352 0.596 . . . . 0.0 111.917 -172.022 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -107.31 -168.45 22.04 Favored Glycine 0 N--CA 1.445 -0.745 0 N-CA-C 110.634 -0.987 . . . . 0.0 110.634 172.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.537 ' HD3' HG22 ' A' ' 36' ' ' ILE . 89.1 Cg_endo -79.54 -0.08 10.43 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.463 2.108 . . . . 0.0 112.351 -177.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -126.33 44.06 2.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.715 -176.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.758 HG23 ' HB ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -79.93 -51.4 9.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.802 177.867 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.529 ' H ' ' HG3' ' A' ' 17' ' ' PRO . 83.4 m -124.4 99.46 6.21 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.879 178.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.56 63.63 0.61 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.328 0.585 . . . . 0.0 110.047 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.1 mt -123.71 110.57 26.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.385 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.0 t70 60.09 -99.77 0.1 Allowed 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.581 0.551 . . . . 0.0 111.287 175.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -136.25 17.99 3.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.69 0.757 . . . . 0.0 109.866 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -89.61 97.85 11.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.611 -177.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.8 159.27 84.72 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.024 -176.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.529 ' HG3' ' H ' ' A' ' 10' ' ' CYS . 3.7 Cg_exo -78.13 123.66 6.27 Favored 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 122.757 2.305 . . . . 0.0 111.608 176.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.832 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 23.6 m-85 -128.34 138.95 52.61 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.726 -176.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.65 98.65 11.56 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 176.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.524 ' SG ' HD11 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -104.04 138.23 40.86 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.43 0.633 . . . . 0.0 112.328 -171.784 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -123.25 127.81 49.11 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.185 -0.916 . . . . 0.0 108.914 172.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.38 133.22 37.57 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.743 0.306 . . . . 0.0 110.701 -177.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.57 155.5 28.14 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.484 -179.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -74.85 0.11 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.89 -176.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.43 29.19 10.85 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.211 -178.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.08 135.62 47.69 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.54 50.33 1.87 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.162 0.506 . . . . 0.0 111.012 -178.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.68 ' HB3' HG23 ' A' ' 60' ' ' ILE . 0.7 OUTLIER -133.55 130.79 38.94 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.34 -179.49 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.546 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 70.5 mt -86.34 115.11 23.66 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 173.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -78.83 97.78 1.52 Allowed Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 178.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.832 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -111.46 140.66 45.87 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.196 0.522 . . . . 0.0 111.786 -172.107 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.5 t -111.78 138.94 38.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 170.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.9 p -67.08 129.11 31.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.042 0.448 . . . . 0.0 110.63 -178.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.454 ' HA3' HD13 ' A' ' 5' ' ' ILE . . . -77.5 125.08 7.14 Favored Glycine 0 N--CA 1.441 -1.02 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.242 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.39 -178.9 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 175.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.537 HG22 ' HD3' ' A' ' 7' ' ' PRO . 1.3 mp -73.3 107.64 4.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 120.768 0.318 . . . . 0.0 110.818 -177.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.38 19.25 11.63 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.611 -0.804 . . . . 0.0 113.145 177.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m -80.29 125.1 29.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.776 0.322 . . . . 0.0 110.955 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -80.58 80.44 7.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.394 0.616 . . . . 0.0 109.721 176.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.454 ' HB3' HG22 ' A' ' 44' ' ' VAL . 0.7 OUTLIER -76.72 99.88 5.23 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.201 -175.75 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.77 19.8 53.17 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.663 176.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -128.01 -171.25 2.4 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.93 106.04 4.08 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.788 0.327 . . . . 0.0 110.713 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.454 HG22 ' HB3' ' A' ' 40' ' ' CYS . 1.2 t -84.71 89.28 2.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.123 177.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.33 166.46 10.96 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.618 -177.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.447 ' HB3' ' HB3' ' A' ' 10' ' ' CYS . 0.3 OUTLIER -109.94 106.79 16.47 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.789 176.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.8 m -126.06 160.09 31.02 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.407 -176.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.34 -37.15 9.36 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.729 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 5.9 t70 30.55 -122.16 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 O-C-N 125.145 1.528 . . . . 0.0 112.295 -177.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -135.63 104.72 5.9 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.009 0.433 . . . . 0.0 110.908 175.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -106.73 17.84 6.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 172.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.98 -44.01 8.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.426 -176.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -119.9 -29.24 5.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.126 0.489 . . . . 0.0 110.809 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.35 166.7 10.27 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.644 178.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.517 ' HA2' HD11 ' A' ' 59' ' ' LEU . . . 133.53 72.32 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.419 177.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -122.32 -130.14 0.27 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.47 -0.196 . . . . 0.0 110.47 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.12 -13.06 59.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.85 0.357 . . . . 0.0 110.977 -179.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -152.34 150.55 29.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.441 177.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.517 HD11 ' HA2' ' A' ' 55' ' ' GLY . 0.5 OUTLIER -147.04 137.85 23.75 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.445 176.626 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.68 HG23 ' HB3' ' A' ' 28' ' ' SER . 1.1 mp -105.1 119.21 53.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.546 ' HB ' ' HB2' ' A' ' 29' ' ' LEU . 79.4 mt -96.79 127.13 49.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.033 177.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -86.02 43.82 1.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.309 -178.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 68.35 -63.01 0.35 Allowed 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 176.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.26 49.76 1.0 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.212 0.529 . . . . 0.0 111.923 -172.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.729 ' ND2' ' HA ' ' A' ' 49' ' ' ASP . 1.2 t-20 -145.3 10.68 1.29 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.296 0.57 . . . . 0.0 110.581 178.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.5 t -129.22 144.95 51.4 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.056 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.3 m -107.59 12.57 8.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 121.093 0.473 . . . . 0.0 110.652 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.933 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.36 178.711 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.551 0.215 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.16 -27.32 14.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.917 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.638 ' HA ' ' HA ' ' A' ' 39' ' ' GLN . 2.0 m 60.29 90.87 0.06 Allowed 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.472 0.482 . . . . 0.0 110.785 -175.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -85.93 159.72 3.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.201 0.524 . . . . 0.0 111.686 -174.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -164.44 -155.42 8.37 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.603 ' HG3' HD12 ' A' ' 36' ' ' ILE . 2.4 Cg_endo -79.53 51.73 4.0 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 123.12 2.547 . . . . 0.0 111.674 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -160.69 -16.28 0.05 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.27 -175.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.92 -33.91 45.08 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -170.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.573 ' HB2' ' HG3' ' A' ' 17' ' ' PRO . 2.9 t -114.34 135.9 53.57 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.939 0.4 . . . . 0.0 110.933 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.67 17.14 2.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.999 175.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 mt -92.97 97.07 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.657 -174.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 t0 54.22 -136.48 1.32 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.739 174.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.81 13.78 31.16 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.465 0.65 . . . . 0.0 110.882 -177.236 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.637 ' CD2' ' HB2' ' A' ' 48' ' ' LYS . 65.8 m-85 -79.34 155.75 28.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.98 179.154 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.64 154.65 50.9 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.287 -176.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.573 ' HG3' ' HB2' ' A' ' 10' ' ' CYS . 3.4 Cg_exo -78.84 134.18 11.8 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 122.711 2.274 . . . . 0.0 111.797 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.454 ' CD1' ' HA ' ' A' ' 33' ' ' VAL . 65.2 m-85 -135.04 146.77 49.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.558 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.47 71.4 6.04 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 176.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 64.1 m -81.82 131.21 35.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.147 -175.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -99.3 165.32 11.74 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.264 174.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.2 99.55 12.03 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.923 0.392 . . . . 0.0 110.372 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.92 104.6 16.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.624 -176.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.51 -24.39 27.34 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.09 179.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.36 -62.74 3.54 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.334 -178.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.09 147.43 32.42 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.758 0.313 . . . . 0.0 110.704 -178.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.13 58.9 3.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.468 0.651 . . . . 0.0 110.014 176.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -144.32 145.41 31.98 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.235 -0.893 . . . . 0.0 108.75 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.462 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 3.5 mm? -88.09 96.8 10.66 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.089 0.471 . . . . 0.0 111.277 -173.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -78.01 87.91 1.08 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.77 -0.728 . . . . 0.0 111.434 176.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.462 ' SG ' ' HB3' ' A' ' 29' ' ' LEU . 3.1 m -117.57 -178.41 3.47 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.258 0.552 . . . . 0.0 111.173 -177.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -142.22 146.93 21.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 172.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.454 ' HA ' ' CD1' ' A' ' 18' ' ' TYR . 4.5 t -51.29 114.22 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 O-C-N 123.415 0.447 . . . . 0.0 111.719 -176.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.31 103.34 2.27 Favored Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 111.274 -0.731 . . . . 0.0 111.274 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 m -102.41 176.29 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.603 HD12 ' HG3' ' A' ' 7' ' ' PRO . 62.5 mt -62.76 114.23 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.084 0.468 . . . . 0.0 110.367 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.45 -6.71 28.32 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.555 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.3 m -68.13 107.23 2.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.14 0.495 . . . . 0.0 110.731 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.638 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 8.9 mt-30 -80.23 72.17 7.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.326 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 24.6 m -65.11 124.3 21.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.383 -177.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -122.01 56.08 0.65 Allowed Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 111.466 -0.654 . . . . 0.0 111.466 176.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -147.38 -126.46 0.06 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.452 0.168 . . . . 0.0 110.668 -177.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.4 m -84.49 -29.9 25.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.423 0.154 . . . . 0.0 111.154 -178.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.4 t 53.69 82.43 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-O 121.272 0.558 . . . . 0.0 110.385 -176.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -114.2 168.0 10.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.265 -171.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 17.0 m -126.83 110.86 13.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.403 0.621 . . . . 0.0 110.018 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 62.8 m -119.99 159.28 25.03 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.485 -176.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.637 ' HB2' ' CD2' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -100.89 -58.63 1.85 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 177.029 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.825 ' HB2' HG21 ' A' ' 61' ' ' ILE . 7.3 t70 53.68 -146.66 0.53 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.135 -176.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.441 ' H ' ' CG ' ' A' ' 49' ' ' ASP . 38.8 t70 -124.91 -29.42 3.37 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 174.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 t 58.15 56.04 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.422 -179.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.92 36.37 0.56 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.356 -178.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.455 HD22 HD22 ' A' ' 59' ' ' LEU . 11.0 p30 -138.62 161.52 36.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.723 179.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.45 53.89 2.81 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.679 -177.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 62.55 70.31 1.07 Allowed Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.743 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -78.58 163.13 25.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.652 0.263 . . . . 0.0 110.652 -179.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -12.03 59.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.062 -175.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -145.39 132.37 20.26 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.663 174.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.455 HD22 HD22 ' A' ' 53' ' ' ASN . 0.1 OUTLIER -129.68 108.45 10.21 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.986 -176.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.5 mp -83.06 95.63 3.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 175.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.825 HG21 ' HB2' ' A' ' 49' ' ' ASP . 8.6 mt -86.11 147.31 5.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.622 -175.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.486 ' N ' HG23 ' A' ' 61' ' ' ILE . 51.2 t30 -69.29 130.98 44.11 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.085 176.092 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.72 -28.79 67.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.296 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.96 -1.88 37.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.911 0.386 . . . . 0.0 110.992 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.457 ' ND2' ' HA ' ' A' ' 49' ' ' ASP . 0.9 OUTLIER -111.56 2.04 17.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.732 0.777 . . . . 0.0 109.817 176.672 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 96.4 m -108.97 127.96 54.52 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.06 174.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.0 m -105.56 -45.63 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.907 0.384 . . . . 0.0 111.035 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.843 0 CA-C-O 118.703 -0.665 . . . . 0.0 109.439 179.439 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.597 0.237 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.571 ' O ' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -78.62 120.96 24.05 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.069 0.461 . . . . 0.0 110.515 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.77 108.31 19.78 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.58 -176.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.532 ' HB ' ' OG1' ' A' ' 9' ' ' THR . 0.5 OUTLIER -95.04 139.22 19.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.675 179.511 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.418 ' O ' ' HA ' ' A' ' 36' ' ' ILE . . . -102.66 -122.38 5.08 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.491 -0.862 . . . . 0.0 112.023 -177.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -78.55 72.19 6.49 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.514 2.143 . . . . 0.0 112.197 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 58.1 t30 66.85 98.1 0.05 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.926 175.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.532 ' OG1' ' HB ' ' A' ' 5' ' ' ILE . 0.9 OUTLIER -87.26 14.84 7.09 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.584 0.707 . . . . 0.0 110.782 177.204 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 36.5 m -134.64 55.84 1.88 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.596 176.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.19 63.35 3.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.582 0.706 . . . . 0.0 111.215 -176.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.5 mt -105.0 -57.33 4.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.72 177.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -170.18 -136.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.885 -1.052 . . . . 0.0 108.55 -177.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -81.95 57.5 3.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.652 0.739 . . . . 0.0 110.393 177.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -127.46 124.91 39.54 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.161 176.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 12.1 mmtt -92.91 153.34 41.98 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.644 -173.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 5.9 Cg_exo -78.91 101.82 1.48 Allowed 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 122.873 2.382 . . . . 0.0 111.934 178.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.568 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 31.0 m-85 -98.54 173.64 6.84 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 175.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.478 ' HB2' ' HB2' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -134.98 93.33 2.99 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.859 0.361 . . . . 0.0 110.027 176.122 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.4 ' SG ' HD12 ' A' ' 61' ' ' ILE . 1.8 m -84.87 116.24 23.21 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.87 -174.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.444 ' H ' ' HG2' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -92.3 128.43 38.15 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.189 176.634 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.13 112.94 15.6 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.1 mmt -78.13 117.21 19.2 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.336 0.589 . . . . 0.0 110.591 -173.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.41 68.87 9.82 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.647 0.737 . . . . 0.0 109.812 -179.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 160.8 -55.46 0.32 Allowed Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.603 -177.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.88 129.08 35.67 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 175.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.16 57.49 3.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.149 0.5 . . . . 0.0 111.01 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -143.21 155.47 44.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.64 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.3 mt -102.94 119.09 38.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.787 0.327 . . . . 0.0 110.65 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -107.01 116.71 5.08 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.568 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -112.99 110.68 20.91 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.394 0.616 . . . . 0.0 111.207 -174.192 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.1 t -87.0 126.13 40.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.556 176.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.6 t -71.94 137.03 24.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 120.947 0.403 . . . . 0.0 111.301 -173.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -124.13 105.65 0.9 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 121.097 -0.573 . . . . 0.0 111.671 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.471 ' H ' HG22 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -90.88 -174.11 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 110.477 -0.194 . . . . 0.0 110.477 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.418 ' HA ' ' O ' ' A' ' 6' ' ' GLY . 60.1 mt -61.81 113.05 0.99 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-O 120.995 0.426 . . . . 0.0 111.295 -176.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.67 26.76 26.35 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.23 178.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.9 m -114.86 159.4 20.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.013 0.435 . . . . 0.0 111.418 -178.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.571 ' HA ' ' O ' ' A' ' 3' ' ' THR . 5.3 mt-30 -115.94 103.07 10.24 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 177.266 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.478 ' HB2' ' HB2' ' A' ' 19' ' ' CYS . 29.3 p -76.01 -43.86 42.23 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.84 -171.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 135.63 -52.29 0.8 Allowed Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.033 -1.08 . . . . 0.0 114.039 173.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -129.23 -126.72 0.21 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.969 0.385 . . . . 0.0 111.57 -172.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.53 126.46 30.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.876 0.37 . . . . 0.0 111.295 -177.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 43.0 t -77.6 122.84 33.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.77 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.494 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 0.2 OUTLIER -124.75 129.8 51.17 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.342 -175.426 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.513 ' HB2' ' HB1' ' A' ' 68' ' ' ALA . 27.6 m -87.16 99.21 11.77 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.218 0.532 . . . . 0.0 110.659 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.494 ' SG ' ' HB3' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -138.19 -176.45 4.45 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.333 -177.88 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -140.09 -53.57 0.52 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 176.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.569 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 2.5 t70 62.86 -157.22 0.33 Allowed 'General case' 0 C--O 1.237 0.399 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.982 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.41 ' H ' ' CG ' ' A' ' 49' ' ' ASP . 36.4 t70 -112.62 94.3 4.85 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.002 0.43 . . . . 0.0 110.37 -178.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.3 t -84.19 70.05 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.246 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.73 -85.52 0.08 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.398 178.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -130.55 8.58 4.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.399 0.619 . . . . 0.0 109.626 177.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.502 ' HB ' HD21 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -86.56 125.44 33.78 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.622 -179.548 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 156.84 54.2 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.265 177.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -79.91 -65.66 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.58 -52.26 4.85 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.313 0.578 . . . . 0.0 109.499 174.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.1 p90 -158.19 179.33 9.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.114 176.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.502 HD21 ' HB ' ' A' ' 54' ' ' THR . 1.0 OUTLIER -99.93 112.96 25.22 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.035 0.445 . . . . 0.0 111.205 -177.31 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.2 mt -79.69 115.89 22.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 174.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.53 HG21 ' H ' ' A' ' 63' ' ' ALA . 8.2 mt -80.55 144.77 10.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.423 -171.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -79.73 33.89 0.27 Allowed 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.408 -178.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.53 ' H ' HG21 ' A' ' 61' ' ' ILE . . . 66.35 -79.79 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 123.868 0.867 . . . . 0.0 112.228 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.81 57.37 2.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.025 0.44 . . . . 0.0 111.79 -173.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.569 ' ND2' ' HA ' ' A' ' 49' ' ' ASP . 1.4 t-20 -143.74 17.18 1.81 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.629 0.728 . . . . 0.0 110.321 176.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.425 ' HA ' ' HB3' ' A' ' 47' ' ' CYS . 11.0 t -129.97 132.44 46.3 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.472 177.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.6 m -115.13 18.99 7.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -173.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.513 ' HB1' ' HB2' ' A' ' 46' ' ' CYS . . . . . . . . 0 C--O 1.246 0.897 0 CA-C-O 118.924 -0.56 . . . . 0.0 110.176 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.993 0.425 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.31 -35.72 30.67 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.003 177.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.487 ' HA ' ' HA ' ' A' ' 39' ' ' GLN . 1.4 m 46.93 74.58 0.15 Allowed 'General case' 0 N--CA 1.463 0.191 0 O-C-N 123.651 0.594 . . . . 0.0 110.957 -176.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.615 HG21 HG22 ' A' ' 44' ' ' VAL . 3.2 pt -67.95 149.55 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.309 -173.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.58 ' O ' ' HA ' ' A' ' 36' ' ' ILE . . . -96.36 -136.41 8.87 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.213 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.867 ' HA ' HG12 ' A' ' 36' ' ' ILE . 5.0 Cg_exo -79.4 75.19 5.19 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 123.102 2.534 . . . . 0.0 112.305 -178.192 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.5 ' HA ' ' HG3' ' A' ' 17' ' ' PRO . 32.0 t30 73.1 109.85 0.07 Allowed 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 121.546 0.688 . . . . 0.0 111.17 176.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 m -79.82 -15.01 58.25 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.649 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 88.6 m -116.86 78.59 1.22 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.892 0.377 . . . . 0.0 110.79 -179.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.75 61.5 2.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.953 0.406 . . . . 0.0 111.803 -178.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.438 ' HB ' ' H ' ' A' ' 13' ' ' ASP . 1.0 OUTLIER -107.14 -93.47 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.592 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.438 ' H ' ' HB ' ' A' ' 12' ' ' ILE . 5.0 t70 -127.07 -137.01 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 176.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.445 ' O ' ' HD2' ' A' ' 48' ' ' LYS . 26.1 t70 -79.21 53.64 1.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.708 0.766 . . . . 0.0 110.58 177.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.421 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . 3.5 m-85 -113.05 89.65 3.14 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.127 178.291 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.26 138.45 94.42 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.257 -172.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.5 ' HG3' ' HA ' ' A' ' 8' ' ' ASN . 74.5 Cg_endo -79.38 119.8 4.27 Favored 'Trans proline' 0 C--O 1.237 0.441 0 C-N-CA 122.768 2.312 . . . . 0.0 112.099 178.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -122.87 151.75 41.42 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.059 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.603 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -85.12 85.44 7.47 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.073 178.332 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.433 ' HB3' HD22 ' A' ' 29' ' ' LEU . 89.9 m -87.85 144.57 26.51 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.712 -178.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.57 137.42 48.45 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.945 176.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.71 83.78 7.01 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 176.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.04 119.54 22.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.503 -174.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.64 127.25 32.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.246 175.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 153.76 -67.94 0.31 Allowed Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -178.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -116.62 -2.15 12.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.777 0.323 . . . . 0.0 110.509 175.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 56.81 40.9 28.74 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.505 -176.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.04 -93.88 0.07 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.654 -178.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.469 ' HB3' ' H ' ' A' ' 30' ' ' GLY . 3.3 mt 178.92 -107.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.576 178.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.469 ' H ' ' HB3' ' A' ' 29' ' ' LEU . . . 104.21 110.52 3.49 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -175.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.831 ' HB2' HD12 ' A' ' 61' ' ' ILE . 3.5 m -144.04 122.22 12.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.742 0.306 . . . . 0.0 110.931 -174.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.443 ' H ' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -93.47 164.19 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 174.815 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -68.63 119.63 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.878 0.371 . . . . 0.0 111.539 -174.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -92.03 -65.41 1.13 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.623 -0.798 . . . . 0.0 111.447 176.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.455 ' HB ' ' H ' ' A' ' 36' ' ' ILE . 4.0 t 57.23 -99.73 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 123.062 0.545 . . . . 0.0 111.873 176.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.867 HG12 ' HA ' ' A' ' 7' ' ' PRO . 66.9 mt -140.51 116.05 7.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.665 -177.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.22 49.32 5.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.909 -0.662 . . . . 0.0 113.356 175.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.3 m -121.08 133.15 55.22 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.871 0.367 . . . . 0.0 110.428 176.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.487 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -79.57 78.61 6.1 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.124 0.488 . . . . 0.0 110.657 -178.757 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.69 140.37 58.19 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.95 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -120.66 6.87 11.31 Favored Glycine 0 N--CA 1.449 -0.444 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 176.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -130.9 -130.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 -177.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.27 126.39 54.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.686 0.279 . . . . 0.0 110.665 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.615 HG22 HG21 ' A' ' 5' ' ' ILE . 2.0 t -82.79 110.11 17.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 177.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.1 mmpt? -118.05 153.88 32.98 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.72 -177.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.438 ' O ' HG21 ' A' ' 67' ' ' VAL . 0.0 OUTLIER -97.08 109.94 22.59 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.189 179.751 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.946 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 3.0 m -112.77 132.52 55.2 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.06 0.457 . . . . 0.0 111.17 -177.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.445 ' HD2' ' O ' ' A' ' 14' ' ' ASP . 12.8 tptp -80.37 49.87 1.2 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.524 0.678 . . . . 0.0 109.512 172.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -109.3 96.42 6.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.2 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.9 81.78 5.15 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.769 -175.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.2 m -58.21 120.92 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.449 178.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.42 13.42 33.32 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.307 0.575 . . . . 0.0 110.726 -176.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -160.05 169.6 23.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.781 177.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.9 -26.11 43.78 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.952 0.406 . . . . 0.0 110.74 179.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 75.83 -157.69 49.14 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.795 176.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.57 -144.05 0.17 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 178.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.16 -25.9 42.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.148 0.499 . . . . 0.0 110.181 175.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -132.32 149.99 52.25 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.347 -175.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -129.03 142.74 50.81 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.023 177.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.8 mp -120.25 106.45 18.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 120.968 0.413 . . . . 0.0 110.352 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.831 HD12 ' HB2' ' A' ' 31' ' ' CYS . 4.3 mt -96.31 145.81 8.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.809 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.423 ' N ' HG21 ' A' ' 61' ' ' ILE . 6.5 t-20 -81.35 145.23 30.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.929 0.395 . . . . 0.0 111.4 -176.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.98 61.99 1.57 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.364 0.602 . . . . 0.0 110.391 175.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.34 -58.45 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.721 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.434 ' HB2' ' HB3' ' A' ' 48' ' ' LYS . 32.3 p-10 -79.52 -30.43 41.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.091 175.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.946 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 8.7 t -79.24 130.18 35.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.959 170.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.438 HG21 ' O ' ' A' ' 46' ' ' CYS . 17.0 m -100.2 178.84 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.173 179.243 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.498 -0.763 . . . . 0.0 110.624 -177.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.463 ' HB1' ' HA2' ' A' ' 41' ' ' GLY . . . . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.723 0.297 . . . . 0.0 110.409 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.93 128.94 34.9 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.818 -176.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.07 135.91 36.04 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 176.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.545 HG23 HG23 ' A' ' 44' ' ' VAL . 1.0 OUTLIER -95.17 148.86 4.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.048 0.451 . . . . 0.0 111.361 -175.768 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -88.8 168.7 36.14 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.453 175.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -77.9 -28.5 5.01 Favored 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 122.812 2.342 . . . . 0.0 112.499 -177.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -126.49 49.81 1.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.988 0.423 . . . . 0.0 110.96 -177.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.05 -5.6 54.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.197 0.523 . . . . 0.0 110.926 177.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 92.5 m -105.18 114.63 28.93 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.316 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.48 61.44 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.559 0.695 . . . . 0.0 110.183 177.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.1 mt -126.42 -79.92 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.68 -177.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -149.44 -142.2 0.12 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -79.76 75.26 6.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.471 0.653 . . . . 0.0 109.848 175.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -126.98 145.65 50.62 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.537 179.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.82 147.45 35.45 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.3 -175.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -79.03 106.28 2.06 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 122.647 2.231 . . . . 0.0 111.675 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -109.27 157.26 19.01 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.164 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 51.5 t -102.05 89.24 3.56 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.582 175.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.532 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 0.6 OUTLIER -84.4 116.26 22.96 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.021 -176.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -78.42 115.92 18.46 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.559 175.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.36 80.22 5.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.314 0.578 . . . . 0.0 110.398 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 44.4 mtm -79.92 81.31 6.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.191 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 m -56.51 115.89 2.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.677 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.88 -1.13 9.99 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 110.611 -0.995 . . . . 0.0 110.611 -174.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.43 130.76 15.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.217 -0.492 . . . . 0.0 109.777 179.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.11 42.49 0.99 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.398 0.618 . . . . 0.0 110.589 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -122.88 114.3 20.29 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.297 -179.258 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.417 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 0.3 OUTLIER -81.54 104.65 12.11 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.16 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 20' ' ' CYS . . . -84.44 84.36 1.59 Allowed Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 179.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.604 ' HB2' HD11 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -94.31 91.16 6.58 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.324 0.583 . . . . 0.0 110.681 -174.16 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.795 ' HA ' ' HB2' ' A' ' 58' ' ' PHE . 1.7 t -69.47 144.21 14.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.786 177.191 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.8 t -58.03 115.78 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.815 0.34 . . . . 0.0 111.188 -176.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -90.73 93.28 1.84 Allowed Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 111.547 -0.621 . . . . 0.0 111.547 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -82.5 166.46 2.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 120.787 0.327 . . . . 0.0 110.355 -178.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 29.0 mm -64.45 111.9 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.299 -175.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.38 27.3 40.12 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.327 178.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.7 m -102.3 146.36 28.13 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.071 0.463 . . . . 0.0 110.96 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -80.93 131.86 35.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.464 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.4 t -91.64 -69.6 0.73 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.759 178.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.463 ' HA2' ' HB1' ' A' ' 2' ' ' ALA . . . 99.5 -39.15 2.83 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.83 -176.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -99.44 -100.27 0.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.479 0.18 . . . . 0.0 111.126 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.31 133.25 29.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.672 0.272 . . . . 0.0 111.337 -177.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.545 HG23 HG23 ' A' ' 5' ' ' ILE . 2.8 t -79.77 110.87 15.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.672 175.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.531 ' HG3' ' HB2' ' A' ' 20' ' ' CYS . 15.7 mtpp -119.67 135.86 54.64 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.605 -177.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 72.1 m -95.06 83.69 3.97 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.311 0.577 . . . . 0.0 110.103 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.6 m -109.55 -171.68 1.89 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.317 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -134.5 -58.1 0.83 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 176.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.579 ' HA ' ' CG ' ' A' ' 65' ' ' ASN . 4.9 t70 53.17 -141.77 0.84 Allowed 'General case' 0 C--O 1.235 0.316 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.404 -176.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.578 ' CG ' ' HB2' ' A' ' 53' ' ' ASN . 11.2 t0 -130.56 105.64 7.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.0 0.428 . . . . 0.0 110.672 177.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.521 HG11 HD11 ' A' ' 59' ' ' LEU . 16.5 m -79.19 -15.68 13.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.822 -177.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.69 -30.97 10.1 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.282 -175.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.578 ' HB2' ' CG ' ' A' ' 50' ' ' ASP . 3.3 m-20 -79.78 -54.27 6.0 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.849 0.357 . . . . 0.0 110.8 177.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.05 76.3 6.78 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 121.057 0.456 . . . . 0.0 110.924 -178.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -70.15 103.24 1.12 Allowed Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.481 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.496 HD21 ' HA ' ' A' ' 56' ' ' ASN . 0.6 OUTLIER -160.37 173.11 16.12 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 176.796 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.87 -9.65 59.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.269 0.557 . . . . 0.0 110.891 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.795 ' HB2' ' HA ' ' A' ' 32' ' ' VAL . 4.5 p90 -151.24 150.95 31.17 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.161 175.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.521 HD11 HG11 ' A' ' 51' ' ' VAL . 21.0 mt -100.94 115.18 29.82 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.123 0.487 . . . . 0.0 111.459 -172.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.2 mt -82.6 111.22 18.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 171.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.604 HD11 ' HB2' ' A' ' 31' ' ' CYS . 7.7 mm -77.48 135.74 25.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.868 0.366 . . . . 0.0 110.795 -173.111 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -79.36 40.26 0.42 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.565 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.406 ' H ' ' C ' ' A' ' 61' ' ' ILE . . . 64.27 -73.22 0.05 Allowed 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.511 0.724 . . . . 0.0 111.901 -178.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.79 59.81 3.23 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.212 0.53 . . . . 0.0 111.982 -174.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.579 ' CG ' ' HA ' ' A' ' 49' ' ' ASP . 0.9 OUTLIER -151.23 23.34 0.73 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.841 0.829 . . . . 0.0 109.894 173.406 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 5.5 t -135.99 162.94 31.47 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.472 -1.24 . . . . 0.0 109.009 177.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.2 t -79.88 -78.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.855 0.36 . . . . 0.0 110.896 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.412 ' C ' ' HZ2' ' A' ' 45' ' ' LYS . . . . . . . . 0 C--O 1.251 1.15 0 CA-C-O 117.975 -1.012 . . . . 0.0 109.717 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 120.481 0.182 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.44 131.83 35.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.142 0.496 . . . . 0.0 111.358 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.5 m -79.58 104.95 10.53 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.166 176.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.569 HD13 ' HA3' ' A' ' 34' ' ' GLY . 0.4 OUTLIER -108.93 154.37 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.935 0.398 . . . . 0.0 110.906 -178.563 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -159.57 -146.67 4.64 Favored Glycine 0 N--CA 1.445 -0.732 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.989 -179.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -88.79 22.77 0.81 Allowed 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 123.268 2.646 . . . . 0.0 113.305 -177.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.401 ' HA ' ' OG ' ' A' ' 11' ' ' SER . 1.9 p-10 -150.49 19.87 0.83 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.974 0.416 . . . . 0.0 111.6 179.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -93.06 -29.43 15.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.119 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.81 46.8 2.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.459 0.647 . . . . 0.0 109.672 177.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.401 ' OG ' ' HA ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -79.41 61.91 3.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.672 -176.378 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.6 mt -98.41 -89.23 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.956 176.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -113.09 -139.26 0.38 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 177.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -85.78 19.36 2.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.681 0.753 . . . . 0.0 109.606 173.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -78.59 137.36 37.83 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.122 -0.945 . . . . 0.0 108.88 176.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.89 153.49 39.32 Favored Pre-proline 0 C--N 1.319 -0.749 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.545 -174.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -76.7 103.23 1.72 Allowed 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 122.342 2.028 . . . . 0.0 111.167 176.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.824 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 51.5 m-85 -105.39 120.1 40.75 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.773 -177.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.487 ' HA ' ' O ' ' A' ' 43' ' ' SER . 63.7 m -99.08 102.02 13.58 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.322 0.582 . . . . 0.0 110.409 -177.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.519 ' HB3' ' HA ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -127.64 175.8 8.01 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.049 -175.572 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -110.96 147.54 34.47 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 174.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.02 120.19 23.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.805 0.336 . . . . 0.0 110.94 -177.345 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.431 ' SD ' ' HA ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -80.15 -156.09 0.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.591 178.526 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.9 69.95 2.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.087 0.47 . . . . 0.0 110.91 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.93 -86.5 0.77 Allowed Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.676 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.21 119.54 25.42 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.676 0.274 . . . . 0.0 110.304 -177.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -168.17 -178.4 3.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.765 -178.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.23 81.09 3.02 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 173.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.431 ' HA ' ' SD ' ' A' ' 23' ' ' MET . 0.5 OUTLIER -72.71 140.93 48.16 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.737 -172.645 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.08 122.24 5.78 Favored Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.586 178.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.824 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 11.1 t -125.66 160.88 28.55 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 120.666 0.27 . . . . 0.0 111.329 -174.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.8 t -124.62 130.81 73.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 173.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.3 p -66.44 125.71 24.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 178.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.569 ' HA3' HD13 ' A' ' 5' ' ' ILE . . . -65.01 -42.27 96.85 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.757 -176.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.0 t 72.32 149.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 122.998 0.519 . . . . 0.0 110.471 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.6 mm -74.25 111.81 10.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.129 -176.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.67 55.92 1.95 Allowed Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.423 177.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.09 165.2 28.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.932 0.396 . . . . 0.0 111.243 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -100.91 95.33 6.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.916 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -74.65 116.81 15.77 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.119 0.485 . . . . 0.0 111.199 -175.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.11 36.37 3.69 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.103 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.416 ' HB1' ' HB3' ' A' ' 19' ' ' CYS . . . -156.1 178.42 10.31 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 -177.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.487 ' O ' ' HA ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -74.97 123.27 24.83 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.037 -178.212 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.4 t -82.01 113.77 21.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.925 0.393 . . . . 0.0 111.114 -177.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -110.69 178.11 4.47 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.972 177.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -132.01 96.1 3.83 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.334 0.588 . . . . 0.0 110.231 179.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.1 m -123.93 -178.49 4.08 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.063 -178.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.59 -61.61 1.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.706 0.288 . . . . 0.0 110.552 178.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 t70 53.34 -137.42 1.23 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.792 -172.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -159.97 96.84 1.25 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.043 0.449 . . . . 0.0 111.065 175.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.2 t -77.12 65.9 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.362 0.601 . . . . 0.0 110.596 177.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.21 -33.11 26.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.731 178.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -160.36 -38.1 0.05 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.788 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.51 125.1 28.81 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.725 -177.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.685 ' HA2' ' HG ' ' A' ' 59' ' ' LEU . . . 147.35 73.77 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 111.411 -0.675 . . . . 0.0 111.411 -177.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -117.51 -98.07 0.45 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.95 -31.29 39.97 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.481 0.658 . . . . 0.0 109.896 175.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -142.25 149.58 39.79 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.531 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.685 ' HG ' ' HA2' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -130.28 110.03 11.23 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 174.848 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.1 mp -79.79 114.43 20.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.8 mt -80.95 133.67 28.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.279 -177.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -78.31 37.59 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 112.029 -177.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 62.85 -84.66 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 173.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.55 48.71 0.94 Allowed 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -166.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -134.74 -6.16 2.47 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.266 0.555 . . . . 0.0 109.946 172.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.9 t -88.68 135.47 33.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.474 172.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -79.36 -47.75 21.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 121.146 -0.222 . . . . 0.0 111.26 -174.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.837 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.515 -177.236 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.455 ' HA ' ' CA ' ' A' ' 41' ' ' GLY . . . . . . . . 0 N--CA 1.455 -0.181 0 CA-C-O 121.033 0.444 . . . . 0.0 110.145 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.98 142.27 27.67 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.152 -176.096 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.48 124.82 39.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.583 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.482 ' O ' HG13 ' A' ' 5' ' ' ILE . 0.4 OUTLIER -94.8 143.33 11.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.365 178.849 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -109.48 -128.59 5.63 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.532 -177.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -79.39 73.59 5.95 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.987 2.458 . . . . 0.0 112.942 -175.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 69.78 104.43 0.06 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.349 177.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.39 -2.7 58.51 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.276 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 m -102.14 52.97 0.81 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.243 0.544 . . . . 0.0 111.133 -176.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.72 53.33 0.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.305 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.478 HD12 HG23 ' A' ' 12' ' ' ILE . 9.8 mm -109.29 -37.26 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.284 -179.371 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.0 t70 175.64 -147.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -175.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -81.01 68.61 7.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.603 0.716 . . . . 0.0 109.548 172.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.641 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . 29.4 m-85 -121.88 137.81 54.64 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.575 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.432 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -98.97 138.94 20.71 Favored Pre-proline 0 C--N 1.32 -0.715 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 -178.416 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 4.8 Cg_exo -77.97 119.3 4.66 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 123.057 2.505 . . . . 0.0 112.189 -176.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.434 ' HB3' ' HB3' ' A' ' 31' ' ' CYS . 66.5 m-85 -130.22 141.0 50.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.878 177.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.4 m -92.16 99.9 12.62 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.122 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.531 ' SG ' HD12 ' A' ' 29' ' ' LEU . 1.3 m -88.65 123.82 33.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.917 -176.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.859 ' HB2' ' HZ ' ' A' ' 58' ' ' PHE . 27.0 mt-30 -91.43 115.61 28.17 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 172.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.9 m -79.34 117.78 20.64 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.89 -178.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -79.83 69.59 6.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.252 -175.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.5 ' HB2' ' H ' ' A' ' 25' ' ' GLY . 0.7 OUTLIER 45.91 -107.2 0.14 Allowed 'General case' 0 C--O 1.237 0.442 0 O-C-N 123.998 0.811 . . . . 0.0 111.829 176.201 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.5 ' H ' ' HB2' ' A' ' 24' ' ' SER . . . -127.87 29.97 4.05 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.497 -178.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.62 -2.83 58.83 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.647 -0.325 . . . . 0.0 110.806 177.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 62.64 33.56 15.61 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.813 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.82 156.67 48.43 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.458 178.246 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.531 HD12 ' SG ' ' A' ' 20' ' ' CYS . 1.1 pt? -156.09 163.12 40.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.794 0.331 . . . . 0.0 110.739 -178.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.493 ' O ' ' HA ' ' A' ' 20' ' ' CYS . . . -141.47 140.33 10.16 Favored Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.434 ' HB3' ' HB3' ' A' ' 18' ' ' TYR . 0.1 OUTLIER -120.57 115.16 22.87 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.008 0.432 . . . . 0.0 110.765 -173.663 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.467 ' H ' HG21 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -90.02 155.23 3.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 175.343 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.499 HG11 ' O ' ' A' ' 33' ' ' VAL . 13.7 p -63.79 124.57 18.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.405 0.621 . . . . 0.0 111.686 -174.096 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.29 73.9 0.32 Allowed Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.56 178.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -78.14 168.45 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.3 pt -59.83 132.2 24.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.217 0.532 . . . . 0.0 111.221 -177.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.05 23.75 47.62 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.796 -0.716 . . . . 0.0 113.017 178.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.3 m -96.17 149.3 21.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.047 0.451 . . . . 0.0 110.934 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -108.42 99.03 8.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.857 178.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 68.5 m -114.77 113.59 24.46 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.166 0.508 . . . . 0.0 111.17 -176.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.455 ' CA ' ' HA ' ' A' ' 2' ' ' ALA . . . -98.57 52.71 1.16 Allowed Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.645 176.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -149.65 -173.75 4.49 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 -177.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.09 88.38 2.42 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.911 0.386 . . . . 0.0 111.172 -179.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.5 t -66.73 127.79 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 176.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.459 ' HB3' ' SG ' ' A' ' 66' ' ' CYS . 0.5 OUTLIER -135.19 170.98 15.08 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.076 0.465 . . . . 0.0 110.935 -176.31 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.641 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 97.6 m -111.11 109.72 19.92 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.288 -179.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.73 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 0.6 OUTLIER -112.65 139.47 48.23 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.161 0.505 . . . . 0.0 110.816 -178.829 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -102.01 35.04 2.48 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 174.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -77.34 156.89 30.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.347 -175.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -87.38 -16.27 35.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.691 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.1 t 60.71 46.32 0.27 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.142 0 CA-C-O 121.825 0.821 . . . . 0.0 110.293 -178.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.28 4.41 54.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.58 176.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -79.92 144.94 32.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.792 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.45 108.98 13.4 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.639 -178.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -147.82 131.69 3.96 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.878 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -80.4 -48.43 12.91 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.068 0.461 . . . . 0.0 110.468 178.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.08 -62.97 1.19 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.522 177.211 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.859 ' HZ ' ' HB2' ' A' ' 21' ' ' GLN . 1.1 t80 -84.28 114.29 21.74 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.395 178.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.92 128.77 54.0 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.069 178.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.6 mp -85.78 123.29 39.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.451 HG23 ' HB2' ' A' ' 66' ' ' CYS . 0.9 OUTLIER -111.26 135.74 49.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.857 -178.669 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.405 ' N ' HG21 ' A' ' 61' ' ' ILE . 32.2 t-20 -61.14 137.23 58.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.219 -178.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.71 -9.72 55.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.834 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.45 -11.49 54.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.447 175.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -107.6 -33.32 7.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.856 -178.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.73 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 1.9 t -94.53 130.97 40.73 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 174.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 46' ' ' CYS . 29.0 m -88.16 171.29 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.21 0.529 . . . . 0.0 111.888 -174.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.077 -0.963 . . . . 0.0 109.91 179.066 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.583 ' HB3' ' HG3' ' A' ' 39' ' ' GLN . . . . . . . . 0 C--O 1.233 0.204 0 CA-C-O 121.047 0.451 . . . . 0.0 110.35 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.64 138.4 37.39 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.588 -176.003 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.02 89.41 7.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.015 0.436 . . . . 0.0 110.66 178.072 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.429 ' H ' HG21 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -79.72 117.78 26.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 178.215 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.11 -138.48 10.23 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.669 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -77.79 73.26 5.74 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.984 2.456 . . . . 0.0 111.179 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 51.6 t30 73.99 113.88 0.06 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.954 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.2 m -88.01 -15.47 36.33 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.556 177.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 56.9 m -109.1 74.74 0.92 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.722 -177.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.28 54.03 1.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.964 0.411 . . . . 0.0 110.818 178.152 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.2 mt -127.09 102.28 9.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.443 -178.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.6 t70 58.98 -105.4 0.25 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.047 177.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.508 ' CG ' ' HZ1' ' A' ' 16' ' ' LYS . 27.6 t70 -134.02 33.74 3.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.864 0.84 . . . . 0.0 109.967 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.469 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . 0.1 OUTLIER -83.47 115.14 21.93 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.188 178.176 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.508 ' HZ1' ' CG ' ' A' ' 14' ' ' ASP . 2.9 mptt -85.82 139.92 35.28 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.219 -179.207 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_endo -79.88 133.04 9.95 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 122.625 2.217 . . . . 0.0 111.921 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.621 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 86.3 m-85 -132.55 128.69 37.81 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.76 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 29.8 m -81.99 103.22 11.47 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 177.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.638 ' SG ' ' HB3' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -100.45 130.82 46.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.932 -0.577 . . . . 0.0 112.019 -172.631 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.411 ' H ' ' HG2' ' A' ' 21' ' ' GLN . 3.5 mm-40 -80.61 152.81 28.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.163 177.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.36 85.67 5.81 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.087 0.47 . . . . 0.0 111.905 -175.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.14 -71.51 0.6 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.024 0.44 . . . . 0.0 110.037 174.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.3 p -152.58 -60.6 0.15 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.269 0.557 . . . . 0.0 109.999 178.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.881 ' HA2' HD21 ' A' ' 29' ' ' LEU . . . 101.46 -8.28 56.7 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.57 -177.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.73 31.64 6.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.199 0.523 . . . . 0.0 110.476 -179.23 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -162.99 -63.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.338 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.0 m -152.67 151.17 30.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.415 177.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.881 HD21 ' HA2' ' A' ' 25' ' ' GLY . 0.6 OUTLIER -119.55 128.22 53.72 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.729 0.3 . . . . 0.0 110.251 179.379 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -95.83 88.81 1.08 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.707 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.621 ' HB2' ' HB3' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -125.53 117.08 22.83 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.08 0.467 . . . . 0.0 111.2 -176.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.681 HG13 ' HB2' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -86.91 163.04 2.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.693 175.074 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.6 p -61.1 135.95 25.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.895 0.379 . . . . 0.0 110.907 -177.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.77 116.75 9.8 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.238 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -79.5 115.99 22.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 120.901 0.381 . . . . 0.0 110.491 179.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -59.72 130.62 23.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.765 -175.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.67 31.81 60.09 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.575 175.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m -129.91 158.45 39.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.063 0.459 . . . . 0.0 111.485 -177.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.583 ' HG3' ' HB3' ' A' ' 2' ' ' ALA . 5.6 tp60 -91.99 94.83 9.46 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.753 177.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -80.36 113.81 18.81 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.195 179.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.416 ' HA2' ' HA ' ' A' ' 2' ' ' ALA . . . -85.94 44.36 3.34 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.697 -178.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -153.87 157.97 40.08 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -176.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.415 ' HB2' ' HE2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -63.95 106.33 1.01 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.228 -178.5 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.5 t -78.97 122.06 33.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.752 0.31 . . . . 0.0 110.243 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.415 ' HE2' ' HB2' ' A' ' 43' ' ' SER . 1.5 mttt -122.15 167.09 13.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.919 179.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.469 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 4.1 m -105.69 112.62 25.77 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.119 0.485 . . . . 0.0 109.785 177.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.477 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 2.8 m -127.62 150.29 49.8 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.011 0.434 . . . . 0.0 111.359 -174.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.74 68.77 0.92 Allowed 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 173.096 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.688 ' HB2' HG23 ' A' ' 61' ' ' ILE . 1.9 t70 -90.8 -168.12 2.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.794 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -90.5 107.64 19.29 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 177.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.7 p -126.52 85.12 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.793 0.806 . . . . 0.0 111.214 -176.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.7 m -85.88 -22.33 27.56 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.573 0.702 . . . . 0.0 109.742 172.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -160.33 -155.91 0.46 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.104 177.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.68 17.31 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.816 0.341 . . . . 0.0 111.319 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.98 -107.41 2.12 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -174.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -108.94 -88.09 0.49 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 174.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.49 -22.29 14.56 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.552 0.691 . . . . 0.0 109.316 171.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.681 ' HB2' HG13 ' A' ' 32' ' ' VAL . 3.6 p90 -160.58 173.84 14.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.743 -1.117 . . . . 0.0 108.488 178.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 mt -103.74 142.53 34.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.087 0.47 . . . . 0.0 111.913 -174.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.7 mt -114.0 120.83 64.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.3 175.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.688 HG23 ' HB2' ' A' ' 49' ' ' ASP . 22.2 mt -115.41 153.04 16.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.799 -174.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.555 ' N ' HG22 ' A' ' 61' ' ' ILE . 22.3 t-20 -96.5 148.67 22.58 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.207 176.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.65 7.06 9.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.862 0.363 . . . . 0.0 111.527 -177.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -90.43 -36.82 14.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.136 0.493 . . . . 0.0 110.983 178.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.591 ' ND2' ' HA ' ' A' ' 49' ' ' ASP . 10.6 p-10 -103.9 -11.73 17.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.216 0.531 . . . . 0.0 110.776 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.484 ' HB2' HG21 ' A' ' 61' ' ' ILE . 53.3 t -102.07 147.16 26.93 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.653 170.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.5 m -100.36 101.67 12.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.396 0.617 . . . . 0.0 110.253 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.166 0 CA-C-O 118.606 -0.711 . . . . 0.0 110.387 -178.812 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.389 0 CA-C-O 120.857 0.36 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.16 131.06 38.09 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.755 -178.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.623 ' HA ' ' HA ' ' A' ' 39' ' ' GLN . 1.3 m -91.44 129.98 37.35 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.969 -176.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.55 ' HB ' ' HG1' ' A' ' 9' ' ' THR . 3.8 pt -114.13 144.37 21.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.072 177.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -88.16 -150.22 19.91 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.556 -0.83 . . . . 0.0 111.862 177.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -79.55 -5.56 14.16 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 123.074 2.516 . . . . 0.0 112.183 177.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -161.48 104.24 1.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.112 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.55 ' HG1' ' HB ' ' A' ' 5' ' ' ILE . 0.3 OUTLIER -101.45 -15.39 17.18 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 179.583 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.8 m -123.98 76.81 1.48 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.93 0.395 . . . . 0.0 111.081 -175.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.24 61.51 4.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.171 0.51 . . . . 0.0 111.256 -178.109 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.1 mt -116.75 -56.44 3.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.775 178.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -172.82 -134.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.066 178.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -79.52 66.43 4.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.629 0.728 . . . . 0.0 110.126 177.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -122.52 121.39 36.44 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.009 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.27 135.91 26.32 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.612 -175.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -79.4 101.76 1.44 Allowed 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 122.598 2.199 . . . . 0.0 111.41 177.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -101.58 131.89 47.54 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.059 -176.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.423 ' HB3' ' HB3' ' A' ' 40' ' ' CYS . 2.8 m -79.54 97.18 6.35 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.561 175.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -104.13 117.4 34.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.22 0.533 . . . . 0.0 111.83 -173.803 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.405 ' H ' ' HG2' ' A' ' 21' ' ' GLN . 1.5 mm-40 -81.33 116.19 21.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.28 175.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.56 148.05 31.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.9 0.381 . . . . 0.0 110.603 -177.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.474 ' HB3' ' H ' ' A' ' 24' ' ' SER . 2.4 mtt -113.09 -153.32 0.52 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.67 -177.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.474 ' H ' ' HB3' ' A' ' 23' ' ' MET . 0.0 OUTLIER -88.1 -144.45 0.13 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.276 -179.767 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.86 61.59 3.32 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.506 178.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.39 147.44 49.17 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.592 0.234 . . . . 0.0 110.656 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.41 42.63 1.01 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.323 0.583 . . . . 0.0 110.015 177.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -133.79 148.44 51.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.072 -178.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.28 -175.91 3.51 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 177.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 20' ' ' CYS . . . -149.31 78.37 0.22 Allowed Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -176.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 1.4 m -94.91 143.64 26.3 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.466 0.65 . . . . 0.0 111.794 -172.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -130.52 156.72 42.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 170.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.2 p -65.57 135.41 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.583 0.23 . . . . 0.0 110.542 -177.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.53 130.23 47.76 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.589 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.482 ' HB ' ' HB2' ' A' ' 38' ' ' SER . 0.2 OUTLIER -69.79 -20.14 23.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.83 -0.185 . . . . 0.0 111.299 -177.454 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.2 mm 67.82 104.36 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 O-C-N 123.553 0.533 . . . . 0.0 111.154 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.48 22.89 57.73 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.933 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.482 ' HB2' ' HB ' ' A' ' 35' ' ' VAL . 3.4 m -148.75 173.52 13.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.77 0.319 . . . . 0.0 110.413 -177.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.623 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 1.9 mp0 -80.24 138.68 36.85 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.423 -179.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.423 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 1.2 m -87.19 -15.61 37.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.029 0.443 . . . . 0.0 110.848 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.72 -13.81 40.31 Favored Glycine 0 CA--C 1.519 0.287 0 CA-C-N 115.927 -0.579 . . . . 0.0 113.439 175.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -159.72 -162.25 1.0 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.764 0.282 . . . . 0.0 110.719 -178.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.96 126.95 29.81 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 123.569 0.543 . . . . 0.0 111.838 -177.058 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.7 t -86.95 102.35 12.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.091 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 45' ' ' LYS . 26.7 mmmt -91.58 128.82 37.56 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.904 -176.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 96.2 m -92.65 83.35 4.86 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 174.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.665 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 0.6 OUTLIER -108.11 148.33 29.97 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.741 -171.861 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.57 -48.98 5.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.099 174.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.572 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 37.8 t70 54.38 -111.06 0.59 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 114.547 -1.206 . . . . 0.0 110.022 -177.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -171.69 -34.09 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 50.7 t 69.17 115.91 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.231 0.12 0 CA-C-N 114.907 -1.042 . . . . 0.0 112.037 172.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 10.1 t -79.21 151.85 30.98 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 174.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -79.45 -9.28 59.57 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.059 0.457 . . . . 0.0 111.006 -175.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -88.17 120.67 29.74 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.367 176.19 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -76.96 157.04 46.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.804 -177.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -159.87 168.48 25.67 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.76 -12.64 59.77 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.842 0.353 . . . . 0.0 110.733 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -136.96 134.99 37.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.814 -178.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.4 mt -117.53 93.08 4.02 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 176.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.8 mt -79.7 72.08 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.126 0.489 . . . . 0.0 111.57 -173.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.508 HG22 ' HB2' ' A' ' 49' ' ' ASP . 2.3 mt -84.11 152.67 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.72 175.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.486 ' N ' HG21 ' A' ' 61' ' ' ILE . 8.9 t-20 -101.14 160.28 14.52 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 178.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.02 51.95 1.02 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.241 0.544 . . . . 0.0 111.011 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -114.37 -44.63 3.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.255 -177.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.572 ' ND2' ' HA ' ' A' ' 49' ' ' ASP . 0.3 OUTLIER -103.31 14.89 30.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.96 -176.248 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.665 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -105.51 122.15 45.41 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.037 177.661 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.4 m -78.98 -19.08 12.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.885 0.374 . . . . 0.0 111.16 -175.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.857 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.448 0 CA-C-O 121.066 0.46 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.18 128.76 33.7 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.475 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.38 119.23 36.7 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.246 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.508 ' HB ' ' OG1' ' A' ' 9' ' ' THR . 8.8 pt -104.07 162.58 4.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.503 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -93.74 -144.11 14.81 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.827 -0.702 . . . . 0.0 111.913 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.608 ' HA ' HG12 ' A' ' 36' ' ' ILE . 4.7 Cg_exo -78.42 -32.8 2.1 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.449 2.099 . . . . 0.0 111.164 175.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -145.45 123.25 11.92 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 172.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.508 ' OG1' ' HB ' ' A' ' 5' ' ' ILE . 0.3 OUTLIER -125.64 44.48 2.82 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.438 0.637 . . . . 0.0 110.849 179.253 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.7 t -159.54 79.7 0.73 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.041 179.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.31 39.58 2.15 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.177 0.513 . . . . 0.0 110.799 -179.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.411 ' HA ' HD13 ' A' ' 12' ' ' ILE . 50.4 mm -78.75 -52.57 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.246 -178.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -170.97 -125.0 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.394 -0.821 . . . . 0.0 108.952 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -93.9 67.09 3.71 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.295 0.569 . . . . 0.0 109.635 174.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -132.18 153.78 50.21 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.006 178.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.0 mttm -112.42 146.24 34.54 Favored Pre-proline 0 C--N 1.32 -0.698 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -78.7 98.89 1.22 Allowed 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 122.476 2.117 . . . . 0.0 112.084 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.562 ' HB3' ' HB3' ' A' ' 31' ' ' CYS . 37.5 m-85 -107.86 116.17 31.47 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.428 -179.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.653 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 34.1 m -78.52 87.58 4.49 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 174.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.937 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 7.4 t -94.61 123.59 38.14 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.542 -169.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -83.37 99.33 9.98 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.664 176.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.37 103.85 8.58 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 175.079 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.85 ' HB2' ' HB2' ' A' ' 28' ' ' SER . 67.7 mtp -82.06 29.11 0.41 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.696 -173.4 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 35.74 78.54 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 O-C-N 124.299 1.0 . . . . 0.0 112.936 176.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 169.21 -123.27 1.07 Allowed Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 119.836 -1.173 . . . . 0.0 113.626 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.22 67.55 9.26 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -169.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 55.51 25.16 7.55 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.783 175.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.85 ' HB2' ' HB2' ' A' ' 23' ' ' MET . 0.4 OUTLIER -78.72 83.65 4.86 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.827 -177.342 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.568 ' HB3' ' SG ' ' A' ' 20' ' ' CYS . 8.0 mt -108.79 98.58 8.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.251 178.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.434 ' HA3' ' CZ ' ' A' ' 58' ' ' PHE . . . -97.09 87.74 0.92 Allowed Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 177.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.937 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -97.36 118.56 34.11 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.153 0.501 . . . . 0.0 111.251 -173.886 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.6 t -97.22 140.14 18.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.805 176.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.4 ' H ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -62.97 124.7 18.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.011 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -76.32 123.02 6.65 Favored Glycine 0 N--CA 1.444 -0.795 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 176.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.458 ' HB ' ' H ' ' A' ' 36' ' ' ILE . 0.5 OUTLIER -94.82 -110.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.47 0.176 . . . . 0.0 110.7 -177.23 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.608 HG12 ' HA ' ' A' ' 7' ' ' PRO . 78.2 mt -134.76 110.79 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.72 0.295 . . . . 0.0 110.298 -178.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' A' ' 5' ' ' ILE . . . 73.12 32.42 60.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.761 -179.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.97 139.73 35.64 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.24 0.543 . . . . 0.0 111.385 -178.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -91.34 99.13 12.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.208 175.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.508 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 66.5 m -97.8 110.69 23.21 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.065 -176.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.92 38.55 3.04 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 121.069 -0.586 . . . . 0.0 111.827 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -160.09 172.63 17.13 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -176.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.03 109.58 4.62 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.148 0.499 . . . . 0.0 111.343 -177.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.653 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 2.1 p -77.25 107.29 8.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.387 0.613 . . . . 0.0 109.393 174.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.513 ' HB3' ' HB2' ' A' ' 68' ' ' ALA . 2.9 mttt -112.94 157.75 21.08 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.692 -175.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 18.1 m -96.49 95.4 7.99 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.931 177.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.417 ' HB3' ' HB2' ' A' ' 66' ' ' CYS . 1.8 m -107.45 143.22 36.12 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.926 0.393 . . . . 0.0 110.955 -178.326 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 65' ' ' ASN . 0.1 OUTLIER -90.41 81.28 6.01 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 172.656 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -66.0 153.21 42.79 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.211 -175.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -102.68 -14.24 16.77 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.683 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.9 t 55.27 30.65 0.16 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.29 -2.26 58.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.943 176.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -105.24 110.09 22.33 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.184 -0.916 . . . . 0.0 108.556 173.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.39 69.45 5.63 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.185 0.517 . . . . 0.0 111.551 -174.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.49 ' HA3' ' O ' ' A' ' 58' ' ' PHE . . . -103.58 139.12 14.37 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.794 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -101.04 -49.62 4.05 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.846 0.355 . . . . 0.0 110.276 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.94 -2.87 24.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.007 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.49 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -156.3 129.36 7.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.279 -179.072 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.42 ' HB3' HD11 ' A' ' 61' ' ' ILE . 0.7 OUTLIER -124.39 129.91 51.54 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 176.085 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 56.4 mt -102.88 108.48 24.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.21 0.529 . . . . 0.0 110.416 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.42 HD11 ' HB3' ' A' ' 59' ' ' LEU . 3.8 mp -107.08 143.12 18.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.943 -177.152 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -85.36 163.84 18.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.307 0.575 . . . . 0.0 111.451 -176.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.24 16.05 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.801 -175.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.94 -45.31 5.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.954 0.407 . . . . 0.0 110.338 176.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 48' ' ' LYS . 15.7 p-10 -86.25 -19.36 30.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.702 178.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.417 ' HB2' ' HB3' ' A' ' 47' ' ' CYS . 18.5 t -97.22 134.73 40.14 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 170.106 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.9 m -105.25 39.83 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -173.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.513 ' HB2' ' HB3' ' A' ' 45' ' ' LYS . . . . . . . . 0 C--O 1.245 0.841 0 CA-C-O 118.637 -0.697 . . . . 0.0 110.51 178.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' A' ' 40' ' ' CYS . . . . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.982 0.42 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.89 -21.28 44.2 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.546 178.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.745 HG22 ' HG3' ' A' ' 39' ' ' GLN . 19.2 m 72.18 123.64 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.597 -178.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.566 ' H ' ' HA ' ' A' ' 39' ' ' GLN . 0.7 OUTLIER -108.82 101.27 12.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-O 121.55 0.691 . . . . 0.0 110.485 178.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.15 -155.29 29.54 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.646 175.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -81.99 8.75 4.29 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.727 2.285 . . . . 0.0 113.346 -176.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -153.39 38.52 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.887 0.375 . . . . 0.0 111.926 -178.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.68 -64.68 1.13 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.003 0.43 . . . . 0.0 110.104 173.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -128.9 56.66 1.66 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.383 0.611 . . . . 0.0 109.544 177.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -121.03 53.26 1.15 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.223 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.0 mm -73.01 -63.81 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.705 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.402 ' HB3' ' H ' ' A' ' 14' ' ' ASP . 16.2 t70 -146.92 -107.55 0.09 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.921 -178.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.402 ' H ' ' HB3' ' A' ' 13' ' ' ASP . 20.3 t0 -84.91 2.55 42.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.53 0.681 . . . . 0.0 109.978 174.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -78.66 112.93 16.26 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 173.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -83.49 159.62 61.01 Favored Pre-proline 0 C--N 1.318 -0.79 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.707 -175.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -78.63 103.93 1.74 Allowed 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 122.456 2.104 . . . . 0.0 110.96 178.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.79 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 11.9 m-85 -115.05 124.7 52.26 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.589 -174.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 23.7 m -94.75 100.19 12.15 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 171.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -92.18 132.52 36.58 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.362 0.601 . . . . 0.0 111.952 -171.858 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -86.95 80.63 8.37 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 171.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.458 ' HA ' ' HB3' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -77.94 118.56 20.36 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.53 -174.703 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.7 mtt -91.39 -179.64 5.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.933 -175.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.95 25.74 2.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.19 -3.28 26.85 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.781 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.99 -59.04 5.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.842 0.353 . . . . 0.0 111.412 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -141.92 41.88 1.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 176.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.2 m 59.32 -102.68 0.15 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.19 -177.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.458 ' HB3' ' HA ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -149.14 131.09 15.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.086 0.47 . . . . 0.0 111.078 -178.9 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -104.42 118.46 5.95 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 175.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.79 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 0.1 OUTLIER -100.78 141.8 33.14 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.179 0.514 . . . . 0.0 111.877 -172.207 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.533 HG13 ' O ' ' A' ' 57' ' ' SER . 1.7 t -116.98 153.49 18.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.352 -0.84 . . . . 0.0 108.961 172.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.5 t -69.45 110.24 2.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.829 0.347 . . . . 0.0 110.498 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.66 101.9 1.7 Allowed Glycine 0 N--CA 1.443 -0.836 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.925 -178.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.455 ' H ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -68.56 125.25 25.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 120.721 0.296 . . . . 0.0 110.554 -179.635 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.2 mt -56.38 123.78 8.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.163 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.88 -8.77 54.64 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.855 176.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.38 -1.81 46.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 117.035 0.418 . . . . 0.0 111.647 -176.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.745 ' HG3' HG22 ' A' ' 4' ' ' THR . 0.0 OUTLIER 67.61 146.29 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.697 0.623 . . . . 0.0 111.35 -178.781 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 4.9 t -109.02 120.18 41.78 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 177.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -99.8 19.55 52.91 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.194 -178.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.487 ' HB1' ' H ' ' A' ' 43' ' ' SER . . . -142.45 -152.27 0.4 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.487 ' H ' ' HB1' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -90.21 118.87 30.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.862 0.363 . . . . 0.0 110.751 179.303 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.5 t -79.25 109.17 13.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 177.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.418 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 7.7 mmmt -103.53 122.56 45.2 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.955 0.407 . . . . 0.0 110.67 -176.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.6 m -84.5 90.77 7.7 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.951 179.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.515 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 4.1 m -124.16 158.25 32.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.617 -176.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 tttm -102.38 -47.9 4.34 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 174.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.776 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 2.9 t70 49.89 -139.38 0.86 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.147 -1.388 . . . . 0.0 111.226 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -143.78 89.64 2.07 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.117 0.484 . . . . 0.0 110.477 176.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.507 ' H ' HG21 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -86.14 76.79 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.044 177.641 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.18 -18.32 55.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.093 -177.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -91.11 138.59 31.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.108 178.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.27 56.58 2.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.369 0.604 . . . . 0.0 110.905 -178.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 119.21 88.03 1.13 Allowed Glycine 0 N--CA 1.445 -0.717 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.398 -177.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -112.19 153.55 26.89 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.533 ' O ' HG13 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -88.48 -73.83 0.48 Allowed 'General case' 0 N--CA 1.444 -0.736 0 CA-C-O 120.946 0.403 . . . . 0.0 110.114 -179.912 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -104.95 118.83 37.51 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 121.115 0.484 . . . . 0.0 111.328 -176.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.69 119.17 28.21 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.506 174.554 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.545 ' O ' HG21 ' A' ' 60' ' ' ILE . 0.7 OUTLIER -85.71 132.71 31.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.567 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.458 HG23 ' H ' ' A' ' 63' ' ' ALA . 25.0 mt -104.7 136.85 36.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -175.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.39 17.61 0.82 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.07 177.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.458 ' H ' HG23 ' A' ' 61' ' ' ILE . . . 72.79 -38.39 0.42 Allowed 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.881 0.872 . . . . 0.0 113.055 174.003 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.94 8.22 5.94 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -175.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.776 ' ND2' ' HA ' ' A' ' 49' ' ' ASP . 2.3 m-20 -105.02 2.51 29.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.517 0.675 . . . . 0.0 110.487 179.162 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.515 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 13.0 m -109.21 159.33 17.01 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.738 178.488 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -98.2 -9.59 8.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.052 0.453 . . . . 0.0 110.397 175.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.941 0 CA-C-O 117.632 -1.175 . . . . 0.0 108.766 179.705 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.04 134.03 36.18 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.639 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -87.88 104.58 16.74 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 172.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.805 ' HB ' HG23 ' A' ' 9' ' ' THR . 4.4 pt -84.62 139.17 17.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.279 0.562 . . . . 0.0 111.665 -172.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.8 -164.46 27.0 Favored Glycine 0 N--CA 1.444 -0.823 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 173.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.655 ' HA ' HD13 ' A' ' 36' ' ' ILE . 3.5 Cg_exo -78.16 -29.27 4.19 Favored 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 122.663 2.242 . . . . 0.0 112.215 -178.388 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -100.98 43.15 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.581 -175.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.805 HG23 ' HB ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -78.98 -58.97 2.97 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.014 -178.777 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 97.0 m -106.25 62.87 0.65 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.05 0.452 . . . . 0.0 110.33 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.55 85.02 3.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.299 0.571 . . . . 0.0 111.24 -178.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mt -131.36 -52.01 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.575 0.702 . . . . 0.0 109.271 175.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -162.49 -142.93 0.08 Allowed 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 178.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -79.79 63.65 4.41 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 171.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -109.21 116.67 32.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.169 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.77 132.99 56.09 Favored Pre-proline 0 C--N 1.316 -0.872 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.567 -174.316 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -78.08 98.21 1.19 Allowed 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 122.724 2.283 . . . . 0.0 110.862 176.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.469 ' CD2' ' HB3' ' A' ' 47' ' ' CYS . 37.1 m-85 -93.42 129.89 39.41 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.878 -175.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.413 ' O ' HG22 ' A' ' 32' ' ' VAL . 64.6 m -81.23 101.88 10.0 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.313 174.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.56 ' SG ' ' HB2' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -100.84 128.32 46.93 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.208 0.528 . . . . 0.0 111.596 -174.206 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.9 129.8 40.49 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.406 -0.816 . . . . 0.0 108.919 171.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.22 79.07 4.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.312 0.577 . . . . 0.0 110.634 -177.087 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -78.22 99.89 6.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.081 -178.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.41 108.2 17.75 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.483 -176.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.58 -10.99 11.3 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.658 -176.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.65 142.18 50.39 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.38 -38.9 29.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.932 0.396 . . . . 0.0 110.779 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.0 104.79 7.69 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.569 178.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.56 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -89.19 144.66 25.95 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.974 0.416 . . . . 0.0 110.119 178.043 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.721 ' HA3' ' HE2' ' A' ' 58' ' ' PHE . . . -83.65 101.44 2.37 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.933 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.452 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 0.8 OUTLIER -106.47 111.01 23.39 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.859 0.361 . . . . 0.0 110.672 -176.003 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.807 HG12 ' HB2' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -101.67 135.24 39.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 176.554 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.3 p -58.17 125.85 14.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.165 0.507 . . . . 0.0 111.827 -174.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.54 133.75 30.29 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.633 176.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -89.17 -0.76 8.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.608 0.242 . . . . 0.0 111.344 -175.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.655 HD13 ' HA ' ' A' ' 7' ' ' PRO . 44.1 mm 71.84 113.32 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.713 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.19 18.63 52.97 Favored Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 -174.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.19 162.57 18.01 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.354 -0.423 . . . . 0.0 110.591 -177.22 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.418 ' H ' ' HG2' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -92.08 122.07 34.23 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 175.783 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.527 ' SG ' HG23 ' A' ' 5' ' ' ILE . 0.8 OUTLIER -72.92 -16.12 61.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.723 -175.544 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.77 -49.16 4.19 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.973 176.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.472 ' HB1' ' H ' ' A' ' 43' ' ' SER . . . -134.94 -120.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.71 0.29 . . . . 0.0 111.404 -178.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.472 ' H ' ' HB1' ' A' ' 42' ' ' ALA . 0.8 OUTLIER -87.39 123.21 32.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.03 0.443 . . . . 0.0 111.571 -174.565 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.2 t -83.16 124.93 39.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.917 175.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.417 ' HE2' HD12 ' A' ' 29' ' ' LEU . 17.5 mmmt -117.44 130.19 56.31 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.94 0.4 . . . . 0.0 111.17 -178.144 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 72.6 m -85.5 93.4 8.77 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 174.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.747 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 3.7 t -115.83 151.78 34.6 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.772 -170.356 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.26 41.62 1.39 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.654 174.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -65.57 136.64 56.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.556 178.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.52 77.53 4.39 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.483 ' H ' HG21 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -34.47 109.47 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 O-C-N 124.556 1.16 . . . . 0.0 112.466 -178.448 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.21 172.44 7.07 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.797 -176.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.47 -3.65 47.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.983 0.421 . . . . 0.0 111.293 -178.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.85 -8.34 58.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.816 -175.573 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -75.01 128.24 9.87 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.587 -0.816 . . . . 0.0 111.922 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.508 ' HB3' ' H ' ' A' ' 57' ' ' SER . 33.5 t30 -82.3 -97.49 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.602 0.239 . . . . 0.0 110.4 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.508 ' H ' ' HB3' ' A' ' 56' ' ' ASN . 1.0 OUTLIER -84.12 -39.95 18.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.0 0.429 . . . . 0.0 110.378 177.365 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.807 ' HB2' HG12 ' A' ' 32' ' ' VAL . 1.0 OUTLIER -153.13 156.66 39.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.116 179.367 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.81 102.91 15.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.226 0.536 . . . . 0.0 111.796 -173.156 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.441 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -86.39 93.32 3.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 174.474 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.439 ' H ' HG13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -88.87 172.28 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.155 0.503 . . . . 0.0 112.05 -172.236 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.96 -2.92 57.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.581 -176.612 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 74.0 -20.96 0.29 Allowed 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 172.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.67 -3.56 44.7 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -173.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -97.63 -14.42 20.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.21 0.528 . . . . 0.0 110.612 178.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.747 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 1.9 m -80.98 149.17 29.44 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.547 173.142 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.1 m -100.49 -18.78 6.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-O 121.08 0.467 . . . . 0.0 110.849 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.486 178.874 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.515 ' HA ' ' HA2' ' A' ' 41' ' ' GLY . . . . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.946 0.403 . . . . 0.0 110.401 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.32 128.55 46.36 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.708 -179.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.47 93.61 9.6 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.347 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.595 HD12 ' HA3' ' A' ' 34' ' ' GLY . 1.0 OUTLIER -72.82 141.42 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.178 -179.883 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -109.68 -122.96 4.58 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.535 -0.84 . . . . 0.0 111.961 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -78.47 78.23 3.72 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.705 2.27 . . . . 0.0 112.613 -178.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.501 ' OD1' ' HD3' ' A' ' 17' ' ' PRO . 22.1 t-20 59.1 87.25 0.08 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.927 174.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.29 -7.72 58.51 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.486 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . 44.1 m -134.2 51.08 2.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.578 -178.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.8 -56.48 6.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.757 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.412 ' HB ' ' H ' ' A' ' 13' ' ' ASP . 5.0 mt 45.82 -106.41 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.372 -177.291 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.412 ' H ' ' HB ' ' A' ' 12' ' ' ILE . 18.3 t70 -92.18 -77.32 0.44 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 178.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -140.26 50.58 1.7 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.952 0.882 . . . . 0.0 108.968 171.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.402 ' CD1' ' HB ' ' A' ' 12' ' ' ILE . 85.8 m-85 -98.14 171.0 8.51 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.951 -176.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.38 152.4 73.15 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.195 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.501 ' HD3' ' OD1' ' A' ' 8' ' ' ASN . 74.2 Cg_endo -79.93 114.57 3.17 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.562 2.174 . . . . 0.0 112.019 178.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.681 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 49.4 m-85 -125.26 113.98 18.34 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.431 -178.527 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.454 ' HB3' ' HB3' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -79.93 113.06 17.8 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 175.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.446 ' O ' ' HB1' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -109.97 147.27 33.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.159 0.504 . . . . 0.0 112.299 -172.51 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.469 ' HB2' ' H ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -118.18 -154.63 0.57 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.364 -0.834 . . . . 0.0 108.949 174.268 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.469 ' H ' ' HB2' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -126.79 135.51 51.14 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.609 0.242 . . . . 0.0 110.833 -179.624 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.422 ' HG2' ' O ' ' A' ' 29' ' ' LEU . 30.6 mmt -94.74 134.55 37.22 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 176.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.57 -62.18 1.71 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.704 -175.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.67 -37.31 6.52 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.664 -176.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.87 137.33 40.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.792 0.329 . . . . 0.0 110.699 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.45 71.25 9.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.077 0.465 . . . . 0.0 110.835 -179.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.2 m -161.09 179.77 8.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.916 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.422 ' O ' ' HG2' ' A' ' 23' ' ' MET . 1.0 OUTLIER -98.19 -69.24 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.036 0.446 . . . . 0.0 110.897 -178.87 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.694 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 107.7 95.35 2.39 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -176.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.681 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 0.8 OUTLIER -114.57 152.63 31.46 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.886 0.374 . . . . 0.0 111.289 -173.257 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.7 t -120.21 138.43 50.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 171.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.0 p -79.42 134.38 27.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.12 0.486 . . . . 0.0 110.935 -177.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.595 ' HA3' HD12 ' A' ' 5' ' ' ILE . . . -64.33 118.6 13.19 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.932 176.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.488 ' O ' ' HB ' ' A' ' 36' ' ' ILE . 0.6 OUTLIER -90.0 0.75 8.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 120.685 0.279 . . . . 0.0 110.712 -176.846 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.488 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 64.1 mt 77.35 113.88 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.995 -177.01 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.19 20.7 54.49 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 -175.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.31 130.25 54.19 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.925 0.393 . . . . 0.0 111.327 -175.059 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.16 93.03 9.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.445 178.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.454 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 99.1 m -79.92 117.33 20.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.109 178.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.515 ' HA2' ' HA ' ' A' ' 2' ' ' ALA . . . -79.06 -28.02 54.87 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.663 -0.779 . . . . 0.0 111.199 177.194 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.446 ' HB1' ' O ' ' A' ' 20' ' ' CYS . . . -79.53 154.37 28.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.54 -0.33 . . . . 0.0 110.143 176.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.51 123.1 15.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.966 0.412 . . . . 0.0 111.341 -176.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.444 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 3.9 t -76.39 121.83 29.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.785 -178.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -116.56 154.5 30.34 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.272 178.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 10' ' ' CYS . 2.8 m -103.11 97.34 7.45 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.159 0.504 . . . . 0.0 110.089 176.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.566 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 48.1 m -107.2 155.98 19.33 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.436 -178.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -88.07 -33.56 18.26 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 174.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.494 ' CG ' ' H ' ' A' ' 50' ' ' ASP . 4.9 t70 56.7 -156.44 0.29 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-N 114.729 -1.123 . . . . 0.0 111.084 -179.153 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.494 ' H ' ' CG ' ' A' ' 49' ' ' ASP . 7.6 t0 -144.12 57.84 1.34 Allowed 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 176.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -58.13 123.2 9.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 114.858 -1.064 . . . . 0.0 111.707 -174.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.43 -32.17 11.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.488 178.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.426 ' HB3' ' H ' ' A' ' 54' ' ' THR . 46.8 t-20 -157.88 -96.29 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.095 178.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.426 ' H ' ' HB3' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -100.21 -35.34 9.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.086 0.47 . . . . 0.0 111.012 -179.906 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 104.27 -140.37 14.93 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.093 -178.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.432 ' ND2' ' H ' ' A' ' 57' ' ' SER . 6.6 t-20 -150.28 171.39 17.03 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -176.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.432 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -77.64 -13.66 59.85 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.092 0.472 . . . . 0.0 110.538 -178.561 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -147.92 95.88 2.56 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.993 175.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.2 mp -90.53 92.84 9.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.869 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.694 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 2.6 mp -79.65 80.92 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.555 0.693 . . . . 0.0 110.391 -179.522 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.535 HD13 ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -100.53 -167.48 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.732 178.63 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.85 165.93 21.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.207 179.586 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.5 23.81 0.39 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.846 -175.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.78 -27.71 40.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.827 -178.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.438 ' OD1' ' HB3' ' A' ' 47' ' ' CYS . 18.6 p30 -112.3 -7.96 13.96 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.154 0.502 . . . . 0.0 110.949 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.566 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 56.0 m -82.05 105.76 13.41 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.737 176.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -82.32 -15.28 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.311 0.577 . . . . 0.0 110.524 178.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.737 -0.649 . . . . 0.0 110.185 179.797 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.663 ' HA ' ' HA2' ' A' ' 41' ' ' GLY . . . . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.9 134.48 49.36 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.018 0.437 . . . . 0.0 111.037 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.432 HG23 ' HG2' ' A' ' 39' ' ' GLN . 0.2 OUTLIER -89.35 109.47 20.37 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.158 178.719 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.446 ' HB ' HG21 ' A' ' 9' ' ' THR . 1.0 OUTLIER -92.81 147.87 5.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.428 -179.541 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -116.91 -146.27 8.37 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.478 -177.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -80.78 -24.22 5.11 Favored 'Trans proline' 0 CA--C 1.529 0.236 0 C-N-CA 122.742 2.294 . . . . 0.0 112.997 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -126.13 43.84 2.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.121 0.486 . . . . 0.0 111.285 -175.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.451 ' HB ' ' HB3' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -79.65 2.62 21.85 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.134 0.492 . . . . 0.0 110.838 177.031 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.0 t -141.89 74.26 1.45 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.737 178.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.68 51.56 1.91 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.043 -179.251 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.7 mt -134.68 96.18 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.34 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 t70 57.38 -131.28 1.49 Allowed 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.147 175.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -109.74 55.16 0.64 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.626 0.726 . . . . 0.0 109.872 177.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -105.65 159.33 16.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.618 176.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.703 ' HE3' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -114.6 150.74 44.42 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-O 120.66 0.266 . . . . 0.0 110.823 -174.873 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.451 ' HB3' ' HB ' ' A' ' 9' ' ' THR . 5.8 Cg_exo -78.75 110.71 2.85 Favored 'Trans proline' 0 N--CA 1.455 -0.766 0 C-N-CA 122.715 2.277 . . . . 0.0 110.964 177.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.869 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 19.7 m-85 -113.65 137.49 51.53 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.607 -175.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 40' ' ' CYS . 4.0 m -103.96 86.46 2.59 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.341 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.772 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 3.9 m -96.16 135.33 38.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.986 -172.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -74.3 110.36 8.53 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 173.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -93.93 91.2 6.79 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.147 0.499 . . . . 0.0 110.207 -178.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.11 153.74 25.91 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.898 -178.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.7 m -87.25 141.78 28.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.691 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.23 -55.09 4.93 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.13 -178.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.8 132.74 34.8 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.986 0.422 . . . . 0.0 110.782 178.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -113.75 54.91 0.73 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.117 0.484 . . . . 0.0 110.525 -179.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.8 -22.62 18.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.399 -178.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.441 ' HB3' ' HB ' ' A' ' 61' ' ' ILE . 0.1 OUTLIER 53.07 69.49 0.69 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.0 0.429 . . . . 0.0 110.876 -177.655 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -74.53 94.84 0.86 Allowed Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.869 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 4.2 t -108.58 150.13 27.92 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -168.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.4 t -118.46 147.17 22.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.956 172.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.8 t -71.27 125.9 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.638 0.256 . . . . 0.0 111.033 -178.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -92.2 125.3 8.04 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.861 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -103.69 171.31 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.228 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.9 mp -63.34 109.02 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.827 0.346 . . . . 0.0 110.906 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.5 43.01 3.27 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.485 178.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.2 m -110.79 131.79 54.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.859 0.361 . . . . 0.0 110.877 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.432 ' HG2' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -97.42 71.33 2.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.026 -0.533 . . . . 0.0 109.761 179.47 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 30.0 m -71.16 120.52 16.85 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.009 -176.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.663 ' HA2' ' HA ' ' A' ' 2' ' ' ALA . . . -86.58 52.08 4.42 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.154 178.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -153.67 -160.59 1.13 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 -179.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.76 126.19 34.43 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.871 0.367 . . . . 0.0 110.707 179.195 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.2 t -79.67 118.28 26.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.507 ' HZ1' ' HG3' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -119.38 151.93 37.67 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.23 0.538 . . . . 0.0 111.498 -174.5 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -108.52 98.04 7.62 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.325 175.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 50.5 m -133.79 163.15 30.13 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.079 0.466 . . . . 0.0 111.382 -175.031 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.703 ' HG2' ' HE3' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -114.87 -50.31 2.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.319 172.73 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.3 t70 50.5 -138.88 0.96 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.637 -175.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -135.88 100.65 4.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.893 0.378 . . . . 0.0 110.391 177.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.476 ' H ' HG22 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -70.65 97.5 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.34 -179.441 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.26 -67.4 0.76 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.374 179.165 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -101.11 139.34 36.93 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 175.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.29 -9.41 59.22 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.268 0.556 . . . . 0.0 110.278 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -117.53 60.38 0.46 Allowed Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 174.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.634 HD21 ' HG ' ' A' ' 59' ' ' LEU . 3.5 t30 -105.7 111.12 23.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.894 0.378 . . . . 0.0 110.648 -178.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.33 -9.25 59.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.638 -177.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -152.94 107.44 3.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.876 0.37 . . . . 0.0 110.808 177.278 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.634 ' HG ' HD21 ' A' ' 56' ' ' ASN . 0.5 OUTLIER -106.38 125.04 50.51 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.057 178.762 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 60' ' ' ILE . 22.5 mm -81.96 109.87 16.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 171.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.49 HG22 ' N ' ' A' ' 62' ' ' ASN . 55.2 mt -99.84 138.34 24.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.229 0.537 . . . . 0.0 111.711 -171.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.49 ' N ' HG22 ' A' ' 61' ' ' ILE . 55.9 t-20 -79.49 126.0 30.29 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.37 173.402 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.44 -22.35 61.35 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -175.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.05 -13.61 59.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.445 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -98.4 18.19 17.09 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.404 0.621 . . . . 0.0 110.512 -177.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 97.3 m -114.5 161.25 18.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.066 175.109 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.2 t -79.37 -46.83 22.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.35 0.595 . . . . 0.0 109.703 175.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.948 0 CA-C-O 117.837 -1.078 . . . . 0.0 108.988 178.786 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.259 0 CA-C-O 120.55 0.214 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.79 118.67 21.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.031 0.443 . . . . 0.0 110.525 177.198 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.1 93.3 7.74 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.833 -179.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.657 HD13 ' HA3' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -79.01 134.4 27.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.894 -174.763 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.451 ' N ' HG13 ' A' ' 5' ' ' ILE . . . -129.4 -160.26 10.15 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.403 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -82.56 5.65 6.26 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.744 2.296 . . . . 0.0 112.88 -177.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -143.15 30.68 1.41 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.758 0.313 . . . . 0.0 111.475 -176.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.2 m -79.47 -22.84 43.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.029 0.442 . . . . 0.0 110.744 176.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.511 ' HB2' ' HG3' ' A' ' 17' ' ' PRO . 1.2 m -122.38 -96.39 0.47 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.96 177.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 m 60.3 28.67 18.29 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 174.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.6 mt -70.57 -33.68 54.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.194 0.521 . . . . 0.0 109.724 176.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.466 ' C ' ' H ' ' A' ' 15' ' ' TYR . 23.5 t70 177.2 -124.96 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 114.986 -1.006 . . . . 0.0 108.624 178.155 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -80.64 20.95 0.69 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.788 0.804 . . . . 0.0 109.724 173.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.849 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . 86.2 m-85 -91.8 102.0 14.6 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.698 177.234 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.51 ' H ' ' HG2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -79.42 151.24 74.69 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.843 -178.854 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.511 ' HG3' ' HB2' ' A' ' 10' ' ' CYS . 5.8 Cg_exo -79.11 117.15 3.79 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 123.11 2.54 . . . . 0.0 112.048 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.469 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 47.4 m-85 -125.76 135.34 51.94 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.932 -178.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.2 93.01 8.56 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.644 177.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.69 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -81.97 109.94 16.78 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.296 0.569 . . . . 0.0 111.883 -173.324 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -81.68 112.1 18.56 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.812 172.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.2 m -79.37 104.58 10.08 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.14 142.53 31.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.094 -174.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.13 127.32 45.07 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.783 178.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.35 -57.36 3.9 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.251 -175.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.78 108.67 9.97 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 175.183 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.13 68.8 5.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.122 0.487 . . . . 0.0 110.891 -177.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 m -147.35 150.83 35.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.375 178.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 67.2 mt -96.74 112.03 23.95 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.33 -179.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.442 ' HA2' ' HE2' ' A' ' 58' ' ' PHE . . . -84.06 68.98 3.43 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 178.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.69 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -86.02 83.28 7.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.367 0.603 . . . . 0.0 110.42 -174.214 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.405 HG13 ' CB ' ' A' ' 58' ' ' PHE . 1.6 t -68.37 132.63 32.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.256 178.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.421 ' HA ' ' CD1' ' A' ' 18' ' ' TYR . 7.3 p -59.71 130.19 23.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-O 121.096 0.474 . . . . 0.0 110.672 -177.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.657 ' HA3' HD13 ' A' ' 5' ' ' ILE . . . -73.38 120.6 7.13 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.485 -177.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.464 ' H ' HG22 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -90.1 124.51 42.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 177.778 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.4 mt -62.63 123.62 15.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.205 -178.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.73 39.19 7.2 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.145 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.91 159.18 42.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.909 0.385 . . . . 0.0 111.117 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -92.07 93.06 8.55 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 177.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.73 -64.02 1.09 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.411 -177.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.03 -45.16 1.71 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.953 -0.642 . . . . 0.0 111.97 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.52 -179.88 7.57 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.945 0.402 . . . . 0.0 111.086 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.18 98.91 4.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.148 -179.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.7 t -75.27 113.22 13.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.106 176.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.602 ' HD2' ' HB3' ' A' ' 66' ' ' CYS . 0.3 OUTLIER -125.55 173.46 8.93 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.038 179.777 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.849 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 35.8 m -99.96 132.93 45.02 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.982 0.42 . . . . 0.0 110.64 -178.112 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 36.3 m -129.63 139.21 51.49 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.547 178.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.78 48.12 1.59 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.627 0.727 . . . . 0.0 109.271 174.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -82.68 119.88 24.87 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 175.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.67 70.54 7.79 Favored 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 120.51 -0.476 . . . . 0.0 109.772 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 p -51.27 102.14 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 114.777 -1.101 . . . . 0.0 111.824 -177.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.29 -35.31 5.02 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.113 -0.949 . . . . 0.0 108.655 173.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -106.21 115.37 30.11 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 114.835 -1.075 . . . . 0.0 108.537 174.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.55 140.74 38.49 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.847 0.356 . . . . 0.0 111.101 -175.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -66.75 160.91 47.16 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.694 177.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -78.75 -58.61 3.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.697 0.284 . . . . 0.0 110.36 -176.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.76 -43.41 8.63 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.351 0.596 . . . . 0.0 109.873 174.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.442 ' HE2' ' HA2' ' A' ' 30' ' ' GLY . 23.3 p90 -160.17 -174.45 4.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.303 177.032 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.424 HD13 ' HE1' ' A' ' 18' ' ' TYR . 0.2 OUTLIER -101.12 130.92 47.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.139 0.495 . . . . 0.0 111.476 -175.91 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.8 mp -123.94 99.71 6.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.284 175.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -102.45 -164.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.105 -175.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -99.39 161.13 13.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.077 -179.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.34 9.24 4.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.121 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.95 -28.8 13.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.285 176.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -77.34 -48.6 16.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.81 177.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.602 ' HB3' ' HD2' ' A' ' 45' ' ' LYS . 96.1 m -78.98 133.27 36.86 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.739 177.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -101.66 -114.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.57 -0.287 . . . . 0.0 110.696 178.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.51 -0.757 . . . . 0.0 111.372 -175.797 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.193 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.29 -39.28 33.29 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -174.306 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.5 m 56.54 72.39 0.51 Allowed 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.31 0.576 . . . . 0.0 110.356 -174.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.426 HD12 ' O ' ' A' ' 35' ' ' VAL . 1.8 pt -87.59 167.61 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.512 -175.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -88.96 -173.93 46.65 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 110.576 -1.01 . . . . 0.0 110.576 171.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -78.15 9.45 3.07 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.205 1.937 . . . . 0.0 113.017 -175.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -169.93 84.98 0.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.708 178.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.4 -38.45 34.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.78 0.324 . . . . 0.0 111.527 179.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.4 m -119.62 122.13 40.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.245 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.07 40.59 1.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.087 0.47 . . . . 0.0 110.413 -178.495 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.5 mp -66.64 -52.48 45.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.555 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -157.93 -108.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.157 -178.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.4 -14.09 50.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.384 0.611 . . . . 0.0 109.822 176.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -79.85 114.32 18.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.987 -177.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.719 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 26.3 mmtm -100.88 176.76 1.75 Allowed Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.666 -179.046 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.719 ' HD2' ' HB3' ' A' ' 16' ' ' LYS . 60.8 Cg_endo -76.62 121.2 5.85 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 121.496 1.464 . . . . 0.0 111.868 178.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.764 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 2.6 m-85 -121.16 110.2 15.91 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.693 -176.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 67.3 m -79.9 97.33 6.67 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 175.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.631 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 4.3 m -94.01 113.68 25.71 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.941 -170.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.3 105.32 16.58 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 172.319 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.83 124.41 27.95 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.629 -176.079 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 20.3 mmt -79.62 95.97 6.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.962 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.61 113.63 1.7 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.357 -177.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.11 -57.0 0.53 Allowed Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.916 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.28 -19.5 31.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.432 0.158 . . . . 0.0 111.38 -177.066 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 67.67 21.71 9.24 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.99 177.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.21 139.64 30.87 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 175.389 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.609 ' HB3' HG13 ' A' ' 61' ' ' ILE . 1.8 tp -96.76 98.19 9.94 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.919 0.39 . . . . 0.0 110.756 -178.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.54 75.65 2.35 Favored Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 110.603 -0.999 . . . . 0.0 110.603 177.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.764 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 0.3 OUTLIER -86.98 149.2 24.94 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.305 0.574 . . . . 0.0 112.034 -171.558 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.9 t -122.37 131.39 73.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.113 172.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.1 t -63.52 123.22 15.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.737 0.304 . . . . 0.0 110.303 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.49 134.38 19.23 Favored Glycine 0 N--CA 1.442 -0.929 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.891 -178.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.426 ' O ' HD12 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -133.99 -144.85 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 120.843 0.354 . . . . 0.0 110.309 -179.492 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.414 ' H ' ' HB ' ' A' ' 35' ' ' VAL . 1.3 mp -78.51 115.94 21.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 120.816 0.341 . . . . 0.0 111.623 -175.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.57 24.96 76.14 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.9 -0.591 . . . . 0.0 113.192 174.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.2 m -69.17 112.44 5.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.267 0.556 . . . . 0.0 111.044 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.98 58.41 1.58 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.042 178.319 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.34 128.79 37.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.795 -178.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.58 53.19 3.4 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.902 178.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -160.57 -174.32 4.4 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 -177.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.78 136.78 36.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.815 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.5 t -101.41 126.11 55.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.798 0.332 . . . . 0.0 110.382 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -120.79 -177.09 3.39 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.699 179.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.508 ' HA ' ' O ' ' A' ' 16' ' ' LYS . 3.2 m -123.0 99.84 6.58 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.881 0.372 . . . . 0.0 110.067 178.368 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.63 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 0.3 OUTLIER -128.44 173.08 10.53 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.597 -175.669 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -124.49 -72.96 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 178.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.458 ' CG ' ' HB2' ' A' ' 65' ' ' ASN . 5.6 m-20 57.56 -134.13 1.18 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.51 -1.223 . . . . 0.0 111.984 170.29 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.504 ' CG ' ' HB3' ' A' ' 53' ' ' ASN . 0.2 OUTLIER -90.01 32.05 0.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.778 -171.724 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.425 ' HB ' ' OH ' ' A' ' 18' ' ' TYR . 9.4 p -63.59 -36.43 76.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-O 120.937 0.399 . . . . 0.0 111.315 -178.389 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.5 23.65 11.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.981 0.419 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.504 ' HB3' ' CG ' ' A' ' 50' ' ' ASP . 40.1 t30 -132.06 -98.81 0.3 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.359 -175.362 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.465 ' H ' ' HB3' ' A' ' 53' ' ' ASN . 0.2 OUTLIER -111.09 44.95 1.22 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.969 0.414 . . . . 0.0 111.395 -176.39 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -150.45 141.5 8.79 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.331 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -157.48 -50.87 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.867 0.365 . . . . 0.0 110.388 176.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.23 -38.1 11.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.136 0.493 . . . . 0.0 110.16 178.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.15 126.11 22.65 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.633 -177.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -113.71 89.86 3.2 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.195 -178.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.6 mp -79.62 81.07 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 176.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.609 HG13 ' HB3' ' A' ' 29' ' ' LEU . 6.6 pt -95.7 172.59 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.703 -170.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -107.76 3.15 24.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.667 177.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 61.32 21.79 12.26 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.946 -174.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.57 -23.65 45.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.159 0.504 . . . . 0.0 110.321 -176.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.458 ' HB2' ' CG ' ' A' ' 49' ' ' ASP . 12.5 m-80 -109.63 16.3 22.25 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.667 177.409 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.63 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 4.2 t -95.0 136.2 35.6 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.129 177.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.1 p -96.12 -10.18 9.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.047 0.451 . . . . 0.0 111.23 -176.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.931 0 CA-C-O 119.038 -0.505 . . . . 0.0 110.075 -178.044 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.423 ' HA ' ' HA2' ' A' ' 41' ' ' GLY . . . . . . . . 0 N--CA 1.45 -0.442 0 CA-C-O 120.921 0.391 . . . . 0.0 110.67 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.7 m -78.59 -31.6 47.27 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.494 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.706 ' HA ' ' H ' ' A' ' 40' ' ' CYS . 2.0 m 70.22 169.08 0.31 Allowed 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.537 -178.407 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.679 ' H ' HG21 ' A' ' 4' ' ' THR . 16.1 pt -121.65 140.47 45.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.065 -178.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.82 -160.04 19.64 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.351 177.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.14 -17.86 13.15 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.339 2.026 . . . . 0.0 112.637 -176.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -143.45 78.02 1.58 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.958 0.409 . . . . 0.0 110.313 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.427 ' HG1' ' HB ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -94.67 -94.28 0.18 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.408 176.383 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.33 83.41 5.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.026 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.3 m -123.78 79.07 1.67 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.162 0.506 . . . . 0.0 110.338 -178.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -101.06 -163.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.505 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.78 -60.24 3.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.572 -177.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -139.55 25.4 2.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.527 0.68 . . . . 0.0 111.07 179.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -109.96 126.9 54.4 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.692 178.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -107.07 157.66 34.84 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.81 -173.277 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -79.12 107.47 2.22 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 122.854 2.369 . . . . 0.0 111.614 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -113.13 130.16 56.28 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.586 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 68.5 m -79.92 74.21 6.67 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 176.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 67.5 m -79.99 114.86 19.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.387 -176.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -78.65 135.67 37.27 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 173.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.72 105.76 11.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.063 0.459 . . . . 0.0 110.716 -177.187 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.81 129.64 34.65 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.039 -179.475 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.87 -38.36 37.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.537 -176.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.6 41.94 2.05 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.408 -178.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.0 m -151.53 144.38 24.44 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 122.661 -0.317 . . . . 0.0 110.192 177.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.12 -21.68 33.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.96 0.409 . . . . 0.0 110.581 178.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.38 171.36 9.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.63 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 mt -116.8 148.15 41.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.816 0.341 . . . . 0.0 110.974 -178.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -107.16 102.75 1.88 Allowed Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 110.631 -0.988 . . . . 0.0 110.631 176.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.607 ' SG ' HD13 ' A' ' 61' ' ' ILE . 1.8 m -122.75 145.99 47.91 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.17 0.51 . . . . 0.0 112.021 -171.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.7 t -104.63 147.23 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 170.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.2 t -66.91 121.11 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.79 0.329 . . . . 0.0 110.379 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -78.3 131.54 10.97 Favored Glycine 0 N--CA 1.442 -0.939 0 CA-C-N 115.873 -0.603 . . . . 0.0 113.034 -177.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.48 -175.09 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 176.007 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.414 ' H ' HG13 ' A' ' 36' ' ' ILE . 3.6 mt -69.72 86.67 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.054 0.454 . . . . 0.0 110.447 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.37 40.07 3.31 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.881 179.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 p -83.34 -2.62 56.18 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 122.641 -0.329 . . . . 0.0 111.081 177.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.462 ' HA ' HG23 ' A' ' 4' ' ' THR . 0.8 OUTLIER 62.42 95.71 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.047 -176.197 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.706 ' H ' ' HA ' ' A' ' 4' ' ' THR . 0.1 OUTLIER -105.06 91.38 3.78 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.371 -178.698 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.423 ' HA2' ' HA ' ' A' ' 2' ' ' ALA . . . -100.21 60.76 0.69 Allowed Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 174.229 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -147.92 -158.43 0.91 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.527 0.203 . . . . 0.0 110.774 -175.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.14 -24.29 35.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.132 -179.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.7 t 62.24 102.29 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-O 121.068 0.461 . . . . 0.0 110.548 -176.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.612 ' HE3' ' SG ' ' A' ' 66' ' ' CYS . 27.1 mtpp -123.75 157.01 34.98 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.82 0.343 . . . . 0.0 110.937 -175.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.86 81.52 1.5 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.383 0.611 . . . . 0.0 109.863 -178.447 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.6 m -99.95 143.82 29.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.949 -176.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.37 64.34 3.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.031 0.443 . . . . 0.0 110.058 177.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -93.11 178.18 5.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.511 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -94.79 125.77 39.67 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.119 0.485 . . . . 0.0 111.76 -172.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.9 p -87.94 -10.14 10.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.646 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.33 -6.51 56.9 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.54 178.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -78.64 -68.76 0.62 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.981 179.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.71 -81.14 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.781 0.324 . . . . 0.0 111.166 177.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.404 ' H ' ' HG ' ' A' ' 59' ' ' LEU . . . 70.05 26.77 73.86 Favored Glycine 0 N--CA 1.451 -0.35 0 N-CA-C 111.362 -0.695 . . . . 0.0 111.362 -176.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.414 ' HB3' ' H ' ' A' ' 57' ' ' SER . 20.9 t30 -101.01 -98.59 0.26 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.721 -0.24 . . . . 0.0 110.901 -174.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.414 ' H ' ' HB3' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -79.76 -40.6 28.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.1 0.476 . . . . 0.0 110.782 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -150.41 154.9 38.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.327 -178.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.425 ' HA ' HD23 ' A' ' 59' ' ' LEU . 1.5 mt -139.06 114.72 9.91 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.973 175.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.8 mp -81.42 105.41 11.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 175.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.607 HD13 ' SG ' ' A' ' 31' ' ' CYS . 11.9 mt -86.78 136.43 22.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.117 -174.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.591 ' HB3' ' OD1' ' A' ' 65' ' ' ASN . 53.5 t30 -80.34 136.08 36.32 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.203 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.83 -5.0 35.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.984 -175.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.89 -44.9 19.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.797 0.332 . . . . 0.0 110.937 179.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.591 ' OD1' ' HB3' ' A' ' 62' ' ' ASN . 1.8 p-10 -93.57 -9.97 36.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.946 0.403 . . . . 0.0 111.461 -176.373 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.612 ' SG ' ' HE3' ' A' ' 45' ' ' LYS . 38.4 t -89.07 106.07 18.2 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 172.192 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -79.81 -47.34 21.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.578 -175.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.46 -0.781 . . . . 0.0 110.198 -179.893 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.447 ' HA ' ' HA2' ' A' ' 41' ' ' GLY . . . . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.99 0.424 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.29 135.92 53.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.557 178.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.05 119.56 31.86 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.367 -0.235 . . . . 0.0 110.367 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.4 pt -99.51 162.66 2.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.863 0.363 . . . . 0.0 111.204 -178.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.26 -156.56 29.73 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.958 -175.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.48 ' HA ' ' CG1' ' A' ' 36' ' ' ILE . 70.4 Cg_endo -78.4 -29.27 3.96 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.571 2.181 . . . . 0.0 112.392 -179.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -146.02 85.48 1.68 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.651 0.739 . . . . 0.0 110.039 178.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.33 -29.71 47.78 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.638 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -136.05 -93.36 0.26 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.724 176.212 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m 59.48 52.61 5.66 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 123.374 0.421 . . . . 0.0 111.457 176.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.5 mp -62.79 -65.92 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-O 121.199 0.523 . . . . 0.0 109.746 176.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -117.73 -74.71 0.6 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 170.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.769 ' HB3' ' HG3' ' A' ' 48' ' ' LYS . 5.8 t0 -127.73 23.62 6.21 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.765 0.793 . . . . 0.0 108.869 169.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.53 ' HD1' ' HB2' ' A' ' 48' ' ' LYS . 2.6 m-30 -80.48 86.98 5.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.89 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.474 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 3.4 mttm -78.24 161.9 68.64 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.449 -177.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -78.93 85.97 1.77 Allowed 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 122.763 2.309 . . . . 0.0 111.197 176.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.954 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 26.8 m-85 -84.37 140.45 31.56 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.913 -178.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.37 96.56 10.04 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 174.402 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.448 ' SG ' ' HB3' ' A' ' 29' ' ' LEU . 1.2 m -98.9 119.4 37.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.232 0.539 . . . . 0.0 112.089 -172.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.45 109.42 3.68 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 171.142 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 m -80.3 102.02 9.28 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.878 -178.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.421 ' HB2' ' O ' ' A' ' 26' ' ' SER . 7.5 mtt -79.19 127.62 32.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.053 -175.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.2 -24.25 37.59 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.151 -177.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -117.23 18.01 12.37 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.787 -177.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.421 ' O ' ' HB2' ' A' ' 23' ' ' MET . 57.1 m -157.35 141.18 15.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.723 0.297 . . . . 0.0 110.313 178.455 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.08 53.81 1.81 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.2 0.524 . . . . 0.0 110.632 178.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.28 128.97 46.85 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.014 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.452 ' O ' ' HA ' ' A' ' 60' ' ' ILE . 74.9 mt -87.94 89.23 7.91 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.793 0.33 . . . . 0.0 111.245 -178.029 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -73.14 96.42 0.79 Allowed Glycine 0 CA--C 1.51 -0.268 0 N-CA-C 110.434 -1.066 . . . . 0.0 110.434 174.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.954 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 0.1 OUTLIER -120.87 150.94 40.28 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.482 0.658 . . . . 0.0 112.476 -166.427 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -127.82 142.98 42.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.093 -0.958 . . . . 0.0 108.785 170.023 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.8 p -69.15 126.85 30.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.1 0.476 . . . . 0.0 111.197 -176.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -104.74 133.53 11.59 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.645 177.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -127.8 -169.37 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.911 0.386 . . . . 0.0 111.301 -177.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.48 ' CG1' ' HA ' ' A' ' 7' ' ' PRO . 0.7 OUTLIER -56.65 116.02 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.865 -177.045 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.05 1.46 61.3 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.047 -0.596 . . . . 0.0 113.211 175.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 m -81.58 127.32 32.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 117.056 0.428 . . . . 0.0 110.652 -179.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -88.3 94.72 9.93 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 176.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.11 107.2 5.32 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.837 -177.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.447 ' HA2' ' HA ' ' A' ' 2' ' ' ALA . . . -86.69 -4.89 82.3 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.992 -0.623 . . . . 0.0 111.909 177.046 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -111.65 175.73 5.31 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 177.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.37 116.94 11.3 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.042 0.449 . . . . 0.0 110.737 -179.401 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.4 t -70.96 122.64 23.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.519 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.402 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -129.78 134.35 47.53 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.97 179.78 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 16' ' ' LYS . 5.0 m -88.53 85.48 6.84 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.106 0.479 . . . . 0.0 110.687 -179.142 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' A' ' 45' ' ' LYS . 1.4 m -118.43 166.98 12.01 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.275 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.769 ' HG3' ' HB3' ' A' ' 14' ' ' ASP . 0.9 OUTLIER -124.67 -34.0 2.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.694 0.283 . . . . 0.0 110.394 177.769 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.543 ' HB2' HG21 ' A' ' 61' ' ' ILE . 6.1 t70 56.65 -141.38 0.81 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -169.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -134.09 24.66 3.89 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 173.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.5 t 45.15 61.91 0.21 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.734 -175.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.05 125.92 30.06 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.224 178.412 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -78.91 54.51 1.58 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.613 0.72 . . . . 0.0 111.657 -172.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.78 16.38 11.85 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.203 173.101 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.762 ' HA3' ' HG ' ' A' ' 59' ' ' LEU . . . -136.33 122.98 2.79 Favored Glycine 0 N--CA 1.443 -0.848 0 CA-C-N 115.23 -0.896 . . . . 0.0 112.057 -178.247 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -110.61 -48.89 3.1 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.199 0.523 . . . . 0.0 109.921 176.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -118.11 -9.36 10.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.772 177.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -146.28 119.23 8.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.09 178.271 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.762 ' HG ' ' HA3' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -116.35 120.21 38.14 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.103 179.747 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.452 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 3.0 mp -86.98 110.68 20.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.892 -0.411 . . . . 0.0 109.892 178.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.543 HG21 ' HB2' ' A' ' 49' ' ' ASP . 1.6 mm -82.68 145.48 8.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.661 -178.632 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -75.97 140.87 42.26 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.8 173.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.54 -35.41 74.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 111.811 -176.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.67 -5.81 55.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.468 -177.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -104.73 27.04 8.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.525 0.679 . . . . 0.0 110.942 -176.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.5 t -136.89 171.07 15.06 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.218 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.508 HG11 ' HE2' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -78.79 -62.06 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.842 0.354 . . . . 0.0 111.129 -178.325 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.931 -0.556 . . . . 0.0 109.991 -179.088 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.425 ' HB2' ' HA2' ' A' ' 41' ' ' GLY . . . . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.978 0.418 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.02 133.09 49.55 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.247 178.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.449 HG21 ' HG3' ' A' ' 39' ' ' GLN . 0.1 OUTLIER -84.91 137.32 33.19 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.339 179.162 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.47 ' H ' HG13 ' A' ' 5' ' ' ILE . 0.6 OUTLIER -97.8 109.51 23.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 177.68 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.425 ' HA3' ' HD3' ' A' ' 7' ' ' PRO . . . -88.39 -117.5 1.4 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.162 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.425 ' HD3' ' HA3' ' A' ' 6' ' ' GLY . 5.5 Cg_exo -78.66 72.73 6.26 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 123.06 2.507 . . . . 0.0 111.997 -177.329 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 61.83 103.93 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.897 0.748 . . . . 0.0 111.525 178.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.7 m -110.24 61.46 0.6 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.058 0.456 . . . . 0.0 110.667 178.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.481 ' SG ' ' HA ' ' A' ' 17' ' ' PRO . 0.9 OUTLIER -160.57 99.92 1.3 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.255 -179.308 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 m -119.63 100.54 7.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.782 178.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.678 HD11 ' HB2' ' A' ' 46' ' ' CYS . 51.4 mt -142.72 -55.72 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.43 176.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.484 ' CG ' ' H ' ' A' ' 14' ' ' ASP . 29.6 t70 -177.35 -132.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 -179.236 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.484 ' H ' ' CG ' ' A' ' 13' ' ' ASP . 23.5 t0 -79.95 66.46 5.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.65 0.738 . . . . 0.0 109.175 173.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -132.56 135.94 46.27 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.295 -178.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 0.0 OUTLIER -100.55 154.87 36.94 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.692 -175.475 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.481 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 58.5 Cg_endo -76.9 98.4 1.22 Allowed 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.286 1.991 . . . . 0.0 111.64 177.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 1.076 ' HB3' ' HB3' ' A' ' 31' ' ' CYS . 59.5 m-85 -105.22 137.26 43.29 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.82 -177.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -86.28 89.11 7.75 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 172.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 90.9 m -89.09 115.38 26.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.335 -171.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -111.44 144.83 40.01 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 171.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.21 113.34 16.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.079 0.466 . . . . 0.0 110.833 -175.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.6 mmt -82.19 121.23 26.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.638 -176.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 m -81.64 80.71 7.91 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.677 -175.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.41 -25.05 27.72 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.928 175.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.47 -40.06 77.31 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.283 0.563 . . . . 0.0 110.553 179.333 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.412 ' HB3' ' H ' ' A' ' 28' ' ' SER . . . -168.46 -153.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.255 -0.884 . . . . 0.0 108.797 -179.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.412 ' H ' ' HB3' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -96.49 -71.64 0.67 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.957 0.408 . . . . 0.0 110.177 174.676 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.481 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 37.0 mt -124.52 124.9 43.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.17 0.509 . . . . 0.0 110.915 -178.405 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.619 ' HA3' ' HE2' ' A' ' 58' ' ' PHE . . . -87.65 76.03 2.05 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 175.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 1.076 ' HB3' ' HB3' ' A' ' 18' ' ' TYR . 36.8 m -88.52 102.03 14.52 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.958 0.409 . . . . 0.0 111.609 -173.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.801 HG11 ' HB2' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -82.69 138.27 19.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 174.864 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.1 p -64.61 116.09 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.251 0.548 . . . . 0.0 109.893 178.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.41 ' CA ' HD12 ' A' ' 5' ' ' ILE . . . -67.73 -43.33 84.92 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.715 -0.675 . . . . 0.0 113.127 -173.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.595 HG12 HG12 ' A' ' 36' ' ' ILE . 2.2 t 56.87 -112.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 -173.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.595 HG12 HG12 ' A' ' 35' ' ' VAL . 1.5 mm -134.19 131.1 55.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.594 0.235 . . . . 0.0 110.902 -178.407 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.2 -33.63 6.3 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.724 -0.75 . . . . 0.0 113.925 169.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m -56.81 137.86 54.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.221 0.534 . . . . 0.0 112.217 -177.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.449 ' HG3' HG21 ' A' ' 4' ' ' THR . 0.0 OUTLIER -88.7 110.95 21.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.368 178.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.85 90.74 7.41 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.058 0.456 . . . . 0.0 110.413 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.425 ' HA2' ' HB2' ' A' ' 2' ' ' ALA . . . -79.17 0.15 80.67 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.964 177.262 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -120.81 -163.5 1.03 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.96 108.25 6.66 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.913 0.387 . . . . 0.0 111.2 -178.472 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.4 t -71.72 112.19 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 174.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt -129.66 145.73 51.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.189 0.519 . . . . 0.0 111.336 -175.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.678 ' HB2' HD11 ' A' ' 12' ' ' ILE . 13.3 m -97.5 75.61 2.5 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.622 176.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.507 ' HB3' ' HB2' ' A' ' 66' ' ' CYS . 58.2 m -88.77 168.86 12.13 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.617 -175.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.37 130.67 53.35 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.448 174.406 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -174.55 -38.06 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 178.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.404 ' HB3' ' H ' ' A' ' 51' ' ' VAL . 4.7 t0 71.6 -81.17 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 114.19 -1.368 . . . . 0.0 111.46 174.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.404 ' H ' ' HB3' ' A' ' 50' ' ' ASP . 47.0 t -134.7 120.34 31.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.407 ' HB ' ' H ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -79.34 -90.5 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 177.009 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.407 ' H ' ' HB ' ' A' ' 52' ' ' THR . 5.8 t-20 -161.46 -73.6 0.06 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.909 0.385 . . . . 0.0 110.399 176.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.67 121.75 25.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.608 -177.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -108.12 88.89 0.55 Allowed Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 175.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -78.77 -77.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.624 0.25 . . . . 0.0 110.794 -174.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.25 -13.69 7.63 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.033 0.444 . . . . 0.0 110.239 176.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.801 ' HB2' HG11 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -160.23 -179.33 7.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.828 -179.373 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.509 HD21 HD11 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -98.58 141.39 31.48 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.843 0.354 . . . . 0.0 110.535 -179.525 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -115.58 133.54 61.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.823 177.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.509 HD11 HD21 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -127.67 142.97 42.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.484 -173.905 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -79.6 130.78 35.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.46 44.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.052 0.453 . . . . 0.0 111.844 -177.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -126.33 -57.14 1.4 Allowed 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 174.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.26 -24.96 64.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.825 -1.079 . . . . 0.0 109.807 172.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.507 ' HB2' ' HB3' ' A' ' 47' ' ' CYS . 1.4 t -78.67 133.23 37.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.452 170.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.403 ' HB ' ' H ' ' A' ' 68' ' ' ALA . 14.6 m -82.8 -156.4 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.34 -176.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.403 ' H ' ' HB ' ' A' ' 67' ' ' VAL . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.431 -0.795 . . . . 0.0 110.972 -175.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.448 ' HA ' ' O ' ' A' ' 40' ' ' CYS . . . . . . . . 0 N--CA 1.454 -0.25 0 CA-C-O 120.698 0.285 . . . . 0.0 110.36 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.64 127.14 50.51 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.931 0.396 . . . . 0.0 111.061 -179.347 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.76 ' HA ' ' HA ' ' A' ' 39' ' ' GLN . 0.2 OUTLIER -86.36 100.66 12.46 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.714 -178.278 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.573 ' HB ' ' HG1' ' A' ' 9' ' ' THR . 0.6 OUTLIER -77.44 155.56 5.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 CA-C-O 121.003 0.43 . . . . 0.0 110.879 -178.617 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.453 ' HA2' ' HA ' ' A' ' 36' ' ' ILE . . . -128.66 -121.41 2.37 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.717 -178.028 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.419 ' HD3' ' HA3' ' A' ' 6' ' ' GLY . 6.1 Cg_exo -79.36 81.84 2.67 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 123.249 2.633 . . . . 0.0 113.066 -175.71 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.785 ' HA ' ' HG3' ' A' ' 17' ' ' PRO . 1.6 t30 64.93 83.1 0.17 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.27 0.557 . . . . 0.0 111.124 173.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.573 ' HG1' ' HB ' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -78.78 -5.91 54.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.974 -176.084 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 96.7 m -113.07 120.41 41.24 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.716 0.293 . . . . 0.0 110.228 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -116.74 57.06 0.78 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.245 0.545 . . . . 0.0 110.44 -179.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.1 mt -120.91 79.83 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.3 t70 64.79 -86.08 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.796 173.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -128.82 4.14 5.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.289 0.566 . . . . 0.0 110.799 -176.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -79.82 122.25 26.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.908 0.385 . . . . 0.0 110.8 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -92.39 157.02 41.05 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.756 -175.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.785 ' HG3' ' HA ' ' A' ' 8' ' ' ASN . 72.3 Cg_endo -79.42 117.95 3.84 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.616 2.211 . . . . 0.0 111.651 175.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.856 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 11.6 m-85 -125.45 140.54 52.69 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 120.943 0.402 . . . . 0.0 110.904 -175.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.3 t -96.75 78.96 2.93 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.628 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.625 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 2.8 m -101.86 144.49 30.45 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.142 0.496 . . . . 0.0 111.839 -173.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -101.72 127.24 48.58 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 172.43 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.599 ' HA ' HD23 ' A' ' 29' ' ' LEU . 0.8 OUTLIER -77.66 114.84 16.91 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.107 0.479 . . . . 0.0 110.668 -175.017 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.97 109.84 13.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.615 -179.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.92 109.82 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.349 -0.841 . . . . 0.0 112.003 -173.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.57 -2.36 31.42 Favored Glycine 0 N--CA 1.452 -0.278 0 CA-C-N 115.831 -0.622 . . . . 0.0 113.603 175.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.57 -13.87 24.05 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 117.008 0.404 . . . . 0.0 111.296 -175.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 71.49 -62.43 0.46 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.324 0.65 . . . . 0.0 112.186 176.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -64.35 112.37 3.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.059 0.457 . . . . 0.0 110.651 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.599 HD23 ' HA ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -95.25 140.53 30.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.053 -174.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.426 ' O ' ' HG2' ' A' ' 21' ' ' GLN . . . -86.29 117.71 4.69 Favored Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 110.119 -1.193 . . . . 0.0 110.119 173.638 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.856 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 10.8 t -124.92 144.98 50.05 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -170.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.7 t -105.59 133.37 50.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 171.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 36.7 t -61.32 115.88 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.62 115.69 6.07 Favored Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.124 -178.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.1 m -122.07 -177.03 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 120.686 0.279 . . . . 0.0 110.305 178.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.453 ' HA ' ' HA2' ' A' ' 6' ' ' GLY . 1.1 mp -66.24 108.12 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.548 179.207 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.24 39.68 2.58 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.498 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m -116.16 102.66 9.8 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.915 0.388 . . . . 0.0 110.704 177.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.76 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 27.6 tt0 -79.77 96.02 6.16 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.09 177.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 17.8 m -70.89 108.2 4.4 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.938 -178.221 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.88 -20.73 69.97 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 175.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.464 ' HB2' ' H ' ' A' ' 43' ' ' SER . . . -97.63 -120.08 0.13 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 178.025 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.464 ' H ' ' HB2' ' A' ' 42' ' ' ALA . 53.8 m -121.03 124.91 45.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.759 0.314 . . . . 0.0 111.152 -178.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.7 p -79.57 112.16 17.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 172.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.46 ' HG2' ' HZ1' ' A' ' 45' ' ' LYS . 2.2 mtpp -111.5 160.43 17.15 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.07 -173.255 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 38.9 m -112.48 93.62 4.53 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.645 177.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.8 m -112.75 149.57 32.79 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.682 -176.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.14 -46.37 29.06 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 171.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 68.63 157.61 0.14 Allowed 'General case' 0 CA--C 1.533 0.305 0 O-C-N 124.459 1.099 . . . . 0.0 111.058 171.173 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -121.84 57.99 1.03 Allowed 'General case' 0 C--N 1.322 -0.623 0 O-C-N 122.115 -0.366 . . . . 0.0 111.067 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 p -58.43 100.32 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-O 121.81 0.814 . . . . 0.0 109.939 173.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.4 -64.95 1.07 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.092 -175.101 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -161.1 -45.1 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.495 0.664 . . . . 0.0 109.475 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.18 107.51 19.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.534 177.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 149.04 111.89 0.61 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.077 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -136.02 -61.14 0.71 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.861 0.362 . . . . 0.0 110.122 178.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.93 -28.31 39.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.12 0.486 . . . . 0.0 110.393 178.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -140.7 126.9 19.69 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.808 179.014 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.03 148.62 52.77 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.232 176.268 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 40.7 mm -105.19 124.26 59.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.801 0.334 . . . . 0.0 110.388 -179.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 36.8 mt -112.51 131.12 64.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.164 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -81.66 52.76 1.97 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -175.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 65.92 -66.99 0.15 Allowed 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 173.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.09 -4.34 43.91 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -166.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.47 -20.78 46.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.323 0.582 . . . . 0.0 110.247 177.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 80.2 m -95.45 97.58 9.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.052 174.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.3 m -79.71 -30.0 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.901 0.381 . . . . 0.0 111.186 -176.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.641 -0.695 . . . . 0.0 110.083 -179.458 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.021 0 CA-C-O 120.788 0.328 . . . . 0.0 110.649 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -160.04 158.11 29.88 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.52 116.74 29.27 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.089 0.471 . . . . 0.0 110.995 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.98 100.43 12.13 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.564 178.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.758 ' HB ' HG23 ' A' ' 9' ' ' THR . 1.0 OUTLIER -82.06 150.36 4.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.352 0.596 . . . . 0.0 111.917 -172.022 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -107.31 -168.45 22.04 Favored Glycine 0 N--CA 1.445 -0.745 0 N-CA-C 110.634 -0.987 . . . . 0.0 110.634 172.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.537 ' HD3' HG22 ' A' ' 36' ' ' ILE . 89.1 Cg_endo -79.54 -0.08 10.43 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.463 2.108 . . . . 0.0 112.351 -177.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -126.33 44.06 2.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.715 -176.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.758 HG23 ' HB ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -79.93 -51.4 9.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.802 177.867 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.529 ' H ' ' HG3' ' A' ' 17' ' ' PRO . 83.4 m -124.4 99.46 6.21 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.879 178.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.56 63.63 0.61 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.328 0.585 . . . . 0.0 110.047 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.1 mt -123.71 110.57 26.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.385 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.0 t70 60.09 -99.77 0.1 Allowed 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.581 0.551 . . . . 0.0 111.287 175.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -136.25 17.99 3.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.69 0.757 . . . . 0.0 109.866 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -89.61 97.85 11.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.611 -177.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.8 159.27 84.72 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.024 -176.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.529 ' HG3' ' H ' ' A' ' 10' ' ' CYS . 3.7 Cg_exo -78.13 123.66 6.27 Favored 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 122.757 2.305 . . . . 0.0 111.608 176.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.832 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 23.6 m-85 -128.34 138.95 52.61 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.726 -176.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.65 98.65 11.56 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 176.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.524 ' SG ' HD11 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -104.04 138.23 40.86 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.43 0.633 . . . . 0.0 112.328 -171.784 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -123.25 127.81 49.11 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.185 -0.916 . . . . 0.0 108.914 172.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.38 133.22 37.57 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.743 0.306 . . . . 0.0 110.701 -177.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.57 155.5 28.14 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.484 -179.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -74.85 0.11 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.89 -176.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.43 29.19 10.85 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.211 -178.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.08 135.62 47.69 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.54 50.33 1.87 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.162 0.506 . . . . 0.0 111.012 -178.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.68 ' HB3' HG23 ' A' ' 60' ' ' ILE . 0.7 OUTLIER -133.55 130.79 38.94 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.34 -179.49 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.546 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 70.5 mt -86.34 115.11 23.66 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 173.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -78.83 97.78 1.52 Allowed Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 178.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.832 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -111.46 140.66 45.87 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.196 0.522 . . . . 0.0 111.786 -172.107 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.5 t -111.78 138.94 38.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 170.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.9 p -67.08 129.11 31.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.042 0.448 . . . . 0.0 110.63 -178.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.454 ' HA3' HD13 ' A' ' 5' ' ' ILE . . . -77.5 125.08 7.14 Favored Glycine 0 N--CA 1.441 -1.02 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.242 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.39 -178.9 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 175.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.537 HG22 ' HD3' ' A' ' 7' ' ' PRO . 1.3 mp -73.3 107.64 4.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 120.768 0.318 . . . . 0.0 110.818 -177.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.38 19.25 11.63 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.611 -0.804 . . . . 0.0 113.145 177.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m -80.29 125.1 29.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.776 0.322 . . . . 0.0 110.955 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -80.58 80.44 7.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.394 0.616 . . . . 0.0 109.721 176.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.454 ' HB3' HG22 ' A' ' 44' ' ' VAL . 0.7 OUTLIER -76.72 99.88 5.23 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.201 -175.75 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.77 19.8 53.17 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.663 176.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -128.01 -171.25 2.4 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.93 106.04 4.08 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.788 0.327 . . . . 0.0 110.713 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.454 HG22 ' HB3' ' A' ' 40' ' ' CYS . 1.2 t -84.71 89.28 2.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.123 177.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.33 166.46 10.96 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.618 -177.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.447 ' HB3' ' HB3' ' A' ' 10' ' ' CYS . 0.3 OUTLIER -109.94 106.79 16.47 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.789 176.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.8 m -126.06 160.09 31.02 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.407 -176.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.34 -37.15 9.36 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.729 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 5.9 t70 30.55 -122.16 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 O-C-N 125.145 1.528 . . . . 0.0 112.295 -177.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -135.63 104.72 5.9 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.009 0.433 . . . . 0.0 110.908 175.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -106.73 17.84 6.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 172.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.98 -44.01 8.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.426 -176.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -119.9 -29.24 5.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.126 0.489 . . . . 0.0 110.809 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.35 166.7 10.27 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.644 178.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.517 ' HA2' HD11 ' A' ' 59' ' ' LEU . . . 133.53 72.32 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.419 177.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -122.32 -130.14 0.27 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.47 -0.196 . . . . 0.0 110.47 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.12 -13.06 59.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.85 0.357 . . . . 0.0 110.977 -179.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -152.34 150.55 29.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.441 177.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.517 HD11 ' HA2' ' A' ' 55' ' ' GLY . 0.5 OUTLIER -147.04 137.85 23.75 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.445 176.626 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.68 HG23 ' HB3' ' A' ' 28' ' ' SER . 1.1 mp -105.1 119.21 53.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.546 ' HB ' ' HB2' ' A' ' 29' ' ' LEU . 79.4 mt -96.79 127.13 49.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.033 177.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -86.02 43.82 1.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.309 -178.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 68.35 -63.01 0.35 Allowed 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 176.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.26 49.76 1.0 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.212 0.529 . . . . 0.0 111.923 -172.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.729 ' ND2' ' HA ' ' A' ' 49' ' ' ASP . 1.2 t-20 -145.3 10.68 1.29 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.296 0.57 . . . . 0.0 110.581 178.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.5 t -129.22 144.95 51.4 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.056 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.3 m -107.59 12.57 8.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 121.093 0.473 . . . . 0.0 110.652 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.933 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.36 178.711 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.872 0 CA-C-O 120.491 0.186 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.79 155.33 22.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.551 0.215 . . . . 0.0 111.117 -178.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.16 -27.32 14.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.917 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.638 ' HA ' ' HA ' ' A' ' 39' ' ' GLN . 2.0 m 60.29 90.87 0.06 Allowed 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.472 0.482 . . . . 0.0 110.785 -175.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -85.93 159.72 3.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.201 0.524 . . . . 0.0 111.686 -174.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -164.44 -155.42 8.37 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.603 ' HG3' HD12 ' A' ' 36' ' ' ILE . 2.4 Cg_endo -79.53 51.73 4.0 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 123.12 2.547 . . . . 0.0 111.674 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -160.69 -16.28 0.05 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.27 -175.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.92 -33.91 45.08 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -170.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.573 ' HB2' ' HG3' ' A' ' 17' ' ' PRO . 2.9 t -114.34 135.9 53.57 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.939 0.4 . . . . 0.0 110.933 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.67 17.14 2.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.999 175.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 mt -92.97 97.07 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.657 -174.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 t0 54.22 -136.48 1.32 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.739 174.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.81 13.78 31.16 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.465 0.65 . . . . 0.0 110.882 -177.236 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.637 ' CD2' ' HB2' ' A' ' 48' ' ' LYS . 65.8 m-85 -79.34 155.75 28.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.98 179.154 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.64 154.65 50.9 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.287 -176.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.573 ' HG3' ' HB2' ' A' ' 10' ' ' CYS . 3.4 Cg_exo -78.84 134.18 11.8 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 122.711 2.274 . . . . 0.0 111.797 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.454 ' CD1' ' HA ' ' A' ' 33' ' ' VAL . 65.2 m-85 -135.04 146.77 49.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.558 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.47 71.4 6.04 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 176.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 64.1 m -81.82 131.21 35.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.147 -175.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -99.3 165.32 11.74 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.264 174.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.2 99.55 12.03 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.923 0.392 . . . . 0.0 110.372 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.92 104.6 16.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.624 -176.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.51 -24.39 27.34 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.09 179.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.36 -62.74 3.54 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.334 -178.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.09 147.43 32.42 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.758 0.313 . . . . 0.0 110.704 -178.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.13 58.9 3.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.468 0.651 . . . . 0.0 110.014 176.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -144.32 145.41 31.98 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.235 -0.893 . . . . 0.0 108.75 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.462 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 3.5 mm? -88.09 96.8 10.66 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.089 0.471 . . . . 0.0 111.277 -173.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -78.01 87.91 1.08 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.77 -0.728 . . . . 0.0 111.434 176.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.462 ' SG ' ' HB3' ' A' ' 29' ' ' LEU . 3.1 m -117.57 -178.41 3.47 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.258 0.552 . . . . 0.0 111.173 -177.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -142.22 146.93 21.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 172.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.454 ' HA ' ' CD1' ' A' ' 18' ' ' TYR . 4.5 t -51.29 114.22 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 O-C-N 123.415 0.447 . . . . 0.0 111.719 -176.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.31 103.34 2.27 Favored Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 111.274 -0.731 . . . . 0.0 111.274 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 m -102.41 176.29 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.603 HD12 ' HG3' ' A' ' 7' ' ' PRO . 62.5 mt -62.76 114.23 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.084 0.468 . . . . 0.0 110.367 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.45 -6.71 28.32 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.555 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.3 m -68.13 107.23 2.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.14 0.495 . . . . 0.0 110.731 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.638 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 8.9 mt-30 -80.23 72.17 7.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.326 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 24.6 m -65.11 124.3 21.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.383 -177.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -122.01 56.08 0.65 Allowed Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 111.466 -0.654 . . . . 0.0 111.466 176.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -147.38 -126.46 0.06 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.452 0.168 . . . . 0.0 110.668 -177.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.4 m -84.49 -29.9 25.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.423 0.154 . . . . 0.0 111.154 -178.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.4 t 53.69 82.43 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-O 121.272 0.558 . . . . 0.0 110.385 -176.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -114.2 168.0 10.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.265 -171.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 17.0 m -126.83 110.86 13.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.403 0.621 . . . . 0.0 110.018 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 62.8 m -119.99 159.28 25.03 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.485 -176.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.637 ' HB2' ' CD2' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -100.89 -58.63 1.85 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 177.029 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.825 ' HB2' HG21 ' A' ' 61' ' ' ILE . 7.3 t70 53.68 -146.66 0.53 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.135 -176.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.441 ' H ' ' CG ' ' A' ' 49' ' ' ASP . 38.8 t70 -124.91 -29.42 3.37 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 174.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 t 58.15 56.04 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.422 -179.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.92 36.37 0.56 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.356 -178.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.455 HD22 HD22 ' A' ' 59' ' ' LEU . 11.0 p30 -138.62 161.52 36.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.723 179.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.45 53.89 2.81 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.679 -177.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 62.55 70.31 1.07 Allowed Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.743 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -78.58 163.13 25.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.652 0.263 . . . . 0.0 110.652 -179.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -12.03 59.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.062 -175.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -145.39 132.37 20.26 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.663 174.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.455 HD22 HD22 ' A' ' 53' ' ' ASN . 0.1 OUTLIER -129.68 108.45 10.21 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.986 -176.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.5 mp -83.06 95.63 3.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 175.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.825 HG21 ' HB2' ' A' ' 49' ' ' ASP . 8.6 mt -86.11 147.31 5.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.622 -175.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.486 ' N ' HG23 ' A' ' 61' ' ' ILE . 51.2 t30 -69.29 130.98 44.11 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.085 176.092 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.72 -28.79 67.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.296 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.96 -1.88 37.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.911 0.386 . . . . 0.0 110.992 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.457 ' ND2' ' HA ' ' A' ' 49' ' ' ASP . 0.9 OUTLIER -111.56 2.04 17.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.732 0.777 . . . . 0.0 109.817 176.672 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 96.4 m -108.97 127.96 54.52 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.06 174.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.0 m -105.56 -45.63 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.907 0.384 . . . . 0.0 111.035 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.843 0 CA-C-O 118.703 -0.665 . . . . 0.0 109.439 179.439 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.437 ' HB2' ' H ' ' A' ' 2' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.81 0 CA-C-O 120.609 0.242 . . . . 0.0 110.667 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.437 ' H ' ' HB2' ' A' ' 1' ' ' SER . . . -109.13 -172.48 2.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.597 0.237 . . . . 0.0 110.667 -178.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.571 ' O ' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -78.62 120.96 24.05 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.069 0.461 . . . . 0.0 110.515 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.77 108.31 19.78 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.58 -176.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.532 ' HB ' ' OG1' ' A' ' 9' ' ' THR . 0.5 OUTLIER -95.04 139.22 19.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.675 179.511 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.418 ' O ' ' HA ' ' A' ' 36' ' ' ILE . . . -102.66 -122.38 5.08 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.491 -0.862 . . . . 0.0 112.023 -177.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -78.55 72.19 6.49 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.514 2.143 . . . . 0.0 112.197 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 58.1 t30 66.85 98.1 0.05 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.926 175.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.532 ' OG1' ' HB ' ' A' ' 5' ' ' ILE . 0.9 OUTLIER -87.26 14.84 7.09 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.584 0.707 . . . . 0.0 110.782 177.204 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 36.5 m -134.64 55.84 1.88 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.596 176.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.19 63.35 3.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.582 0.706 . . . . 0.0 111.215 -176.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.5 mt -105.0 -57.33 4.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.72 177.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -170.18 -136.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.885 -1.052 . . . . 0.0 108.55 -177.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -81.95 57.5 3.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.652 0.739 . . . . 0.0 110.393 177.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -127.46 124.91 39.54 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.161 176.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 12.1 mmtt -92.91 153.34 41.98 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.644 -173.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 5.9 Cg_exo -78.91 101.82 1.48 Allowed 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 122.873 2.382 . . . . 0.0 111.934 178.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.568 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 31.0 m-85 -98.54 173.64 6.84 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 175.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.478 ' HB2' ' HB2' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -134.98 93.33 2.99 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.859 0.361 . . . . 0.0 110.027 176.122 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.4 ' SG ' HD12 ' A' ' 61' ' ' ILE . 1.8 m -84.87 116.24 23.21 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.87 -174.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.444 ' H ' ' HG2' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -92.3 128.43 38.15 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.189 176.634 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.13 112.94 15.6 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.1 mmt -78.13 117.21 19.2 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.336 0.589 . . . . 0.0 110.591 -173.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.41 68.87 9.82 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.647 0.737 . . . . 0.0 109.812 -179.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 160.8 -55.46 0.32 Allowed Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.603 -177.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.88 129.08 35.67 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 175.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.16 57.49 3.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.149 0.5 . . . . 0.0 111.01 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -143.21 155.47 44.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.64 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.3 mt -102.94 119.09 38.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.787 0.327 . . . . 0.0 110.65 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -107.01 116.71 5.08 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.568 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -112.99 110.68 20.91 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.394 0.616 . . . . 0.0 111.207 -174.192 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.1 t -87.0 126.13 40.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.556 176.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.6 t -71.94 137.03 24.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 120.947 0.403 . . . . 0.0 111.301 -173.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -124.13 105.65 0.9 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 121.097 -0.573 . . . . 0.0 111.671 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.471 ' H ' HG22 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -90.88 -174.11 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 110.477 -0.194 . . . . 0.0 110.477 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.418 ' HA ' ' O ' ' A' ' 6' ' ' GLY . 60.1 mt -61.81 113.05 0.99 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-O 120.995 0.426 . . . . 0.0 111.295 -176.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.67 26.76 26.35 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.23 178.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.9 m -114.86 159.4 20.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.013 0.435 . . . . 0.0 111.418 -178.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.571 ' HA ' ' O ' ' A' ' 3' ' ' THR . 5.3 mt-30 -115.94 103.07 10.24 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 177.266 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.478 ' HB2' ' HB2' ' A' ' 19' ' ' CYS . 29.3 p -76.01 -43.86 42.23 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.84 -171.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 135.63 -52.29 0.8 Allowed Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.033 -1.08 . . . . 0.0 114.039 173.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -129.23 -126.72 0.21 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.969 0.385 . . . . 0.0 111.57 -172.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.53 126.46 30.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.876 0.37 . . . . 0.0 111.295 -177.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 43.0 t -77.6 122.84 33.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.77 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.494 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 0.2 OUTLIER -124.75 129.8 51.17 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.342 -175.426 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.513 ' HB2' ' HB1' ' A' ' 68' ' ' ALA . 27.6 m -87.16 99.21 11.77 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.218 0.532 . . . . 0.0 110.659 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.494 ' SG ' ' HB3' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -138.19 -176.45 4.45 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.333 -177.88 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -140.09 -53.57 0.52 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 176.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.569 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 2.5 t70 62.86 -157.22 0.33 Allowed 'General case' 0 C--O 1.237 0.399 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.982 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.41 ' H ' ' CG ' ' A' ' 49' ' ' ASP . 36.4 t70 -112.62 94.3 4.85 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.002 0.43 . . . . 0.0 110.37 -178.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.3 t -84.19 70.05 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.246 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.73 -85.52 0.08 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.398 178.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -130.55 8.58 4.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.399 0.619 . . . . 0.0 109.626 177.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.502 ' HB ' HD21 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -86.56 125.44 33.78 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.622 -179.548 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 156.84 54.2 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.265 177.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -79.91 -65.66 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.58 -52.26 4.85 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.313 0.578 . . . . 0.0 109.499 174.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.1 p90 -158.19 179.33 9.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.114 176.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.502 HD21 ' HB ' ' A' ' 54' ' ' THR . 1.0 OUTLIER -99.93 112.96 25.22 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.035 0.445 . . . . 0.0 111.205 -177.31 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.2 mt -79.69 115.89 22.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 174.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.53 HG21 ' H ' ' A' ' 63' ' ' ALA . 8.2 mt -80.55 144.77 10.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.423 -171.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -79.73 33.89 0.27 Allowed 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.408 -178.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.53 ' H ' HG21 ' A' ' 61' ' ' ILE . . . 66.35 -79.79 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 123.868 0.867 . . . . 0.0 112.228 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.81 57.37 2.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.025 0.44 . . . . 0.0 111.79 -173.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.569 ' ND2' ' HA ' ' A' ' 49' ' ' ASP . 1.4 t-20 -143.74 17.18 1.81 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.629 0.728 . . . . 0.0 110.321 176.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.425 ' HA ' ' HB3' ' A' ' 47' ' ' CYS . 11.0 t -129.97 132.44 46.3 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.472 177.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.6 m -115.13 18.99 7.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -173.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.513 ' HB1' ' HB2' ' A' ' 46' ' ' CYS . . . . . . . . 0 C--O 1.246 0.897 0 CA-C-O 118.924 -0.56 . . . . 0.0 110.176 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.476 0.838 0 CA-C-O 120.473 0.178 . . . . 0.0 110.566 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.25 105.54 12.53 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 120.993 0.425 . . . . 0.0 110.671 -178.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.31 -35.72 30.67 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.003 177.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.487 ' HA ' ' HA ' ' A' ' 39' ' ' GLN . 1.4 m 46.93 74.58 0.15 Allowed 'General case' 0 N--CA 1.463 0.191 0 O-C-N 123.651 0.594 . . . . 0.0 110.957 -176.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.615 HG21 HG22 ' A' ' 44' ' ' VAL . 3.2 pt -67.95 149.55 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.309 -173.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.58 ' O ' ' HA ' ' A' ' 36' ' ' ILE . . . -96.36 -136.41 8.87 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.213 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.867 ' HA ' HG12 ' A' ' 36' ' ' ILE . 5.0 Cg_exo -79.4 75.19 5.19 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 123.102 2.534 . . . . 0.0 112.305 -178.192 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.5 ' HA ' ' HG3' ' A' ' 17' ' ' PRO . 32.0 t30 73.1 109.85 0.07 Allowed 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 121.546 0.688 . . . . 0.0 111.17 176.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 m -79.82 -15.01 58.25 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.649 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 88.6 m -116.86 78.59 1.22 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.892 0.377 . . . . 0.0 110.79 -179.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.75 61.5 2.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.953 0.406 . . . . 0.0 111.803 -178.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.438 ' HB ' ' H ' ' A' ' 13' ' ' ASP . 1.0 OUTLIER -107.14 -93.47 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.592 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.438 ' H ' ' HB ' ' A' ' 12' ' ' ILE . 5.0 t70 -127.07 -137.01 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 176.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.445 ' O ' ' HD2' ' A' ' 48' ' ' LYS . 26.1 t70 -79.21 53.64 1.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.708 0.766 . . . . 0.0 110.58 177.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.421 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . 3.5 m-85 -113.05 89.65 3.14 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.127 178.291 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.26 138.45 94.42 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.257 -172.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.5 ' HG3' ' HA ' ' A' ' 8' ' ' ASN . 74.5 Cg_endo -79.38 119.8 4.27 Favored 'Trans proline' 0 C--O 1.237 0.441 0 C-N-CA 122.768 2.312 . . . . 0.0 112.099 178.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -122.87 151.75 41.42 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.059 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.603 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -85.12 85.44 7.47 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.073 178.332 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.433 ' HB3' HD22 ' A' ' 29' ' ' LEU . 89.9 m -87.85 144.57 26.51 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.712 -178.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.57 137.42 48.45 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.945 176.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.71 83.78 7.01 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 176.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.04 119.54 22.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.503 -174.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.64 127.25 32.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.246 175.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 153.76 -67.94 0.31 Allowed Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -178.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -116.62 -2.15 12.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.777 0.323 . . . . 0.0 110.509 175.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 56.81 40.9 28.74 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.505 -176.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.04 -93.88 0.07 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.654 -178.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.469 ' HB3' ' H ' ' A' ' 30' ' ' GLY . 3.3 mt 178.92 -107.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.576 178.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.469 ' H ' ' HB3' ' A' ' 29' ' ' LEU . . . 104.21 110.52 3.49 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -175.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.831 ' HB2' HD12 ' A' ' 61' ' ' ILE . 3.5 m -144.04 122.22 12.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.742 0.306 . . . . 0.0 110.931 -174.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.443 ' H ' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -93.47 164.19 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 174.815 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -68.63 119.63 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.878 0.371 . . . . 0.0 111.539 -174.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -92.03 -65.41 1.13 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.623 -0.798 . . . . 0.0 111.447 176.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.455 ' HB ' ' H ' ' A' ' 36' ' ' ILE . 4.0 t 57.23 -99.73 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 123.062 0.545 . . . . 0.0 111.873 176.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.867 HG12 ' HA ' ' A' ' 7' ' ' PRO . 66.9 mt -140.51 116.05 7.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.665 -177.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.22 49.32 5.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.909 -0.662 . . . . 0.0 113.356 175.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.3 m -121.08 133.15 55.22 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.871 0.367 . . . . 0.0 110.428 176.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.487 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -79.57 78.61 6.1 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.124 0.488 . . . . 0.0 110.657 -178.757 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.69 140.37 58.19 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.95 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -120.66 6.87 11.31 Favored Glycine 0 N--CA 1.449 -0.444 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 176.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -130.9 -130.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 -177.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.27 126.39 54.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.686 0.279 . . . . 0.0 110.665 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.615 HG22 HG21 ' A' ' 5' ' ' ILE . 2.0 t -82.79 110.11 17.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 177.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.1 mmpt? -118.05 153.88 32.98 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.72 -177.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.438 ' O ' HG21 ' A' ' 67' ' ' VAL . 0.0 OUTLIER -97.08 109.94 22.59 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.189 179.751 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.946 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 3.0 m -112.77 132.52 55.2 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.06 0.457 . . . . 0.0 111.17 -177.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.445 ' HD2' ' O ' ' A' ' 14' ' ' ASP . 12.8 tptp -80.37 49.87 1.2 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.524 0.678 . . . . 0.0 109.512 172.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -109.3 96.42 6.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.2 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.9 81.78 5.15 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.769 -175.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.2 m -58.21 120.92 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.449 178.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.42 13.42 33.32 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.307 0.575 . . . . 0.0 110.726 -176.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -160.05 169.6 23.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.781 177.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.9 -26.11 43.78 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.952 0.406 . . . . 0.0 110.74 179.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 75.83 -157.69 49.14 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.795 176.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.57 -144.05 0.17 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 178.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.16 -25.9 42.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.148 0.499 . . . . 0.0 110.181 175.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -132.32 149.99 52.25 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.347 -175.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -129.03 142.74 50.81 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.023 177.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.8 mp -120.25 106.45 18.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 120.968 0.413 . . . . 0.0 110.352 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.831 HD12 ' HB2' ' A' ' 31' ' ' CYS . 4.3 mt -96.31 145.81 8.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.809 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.423 ' N ' HG21 ' A' ' 61' ' ' ILE . 6.5 t-20 -81.35 145.23 30.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.929 0.395 . . . . 0.0 111.4 -176.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.98 61.99 1.57 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.364 0.602 . . . . 0.0 110.391 175.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.34 -58.45 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.721 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.434 ' HB2' ' HB3' ' A' ' 48' ' ' LYS . 32.3 p-10 -79.52 -30.43 41.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.091 175.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.946 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 8.7 t -79.24 130.18 35.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.959 170.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.438 HG21 ' O ' ' A' ' 46' ' ' CYS . 17.0 m -100.2 178.84 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.173 179.243 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.498 -0.763 . . . . 0.0 110.624 -177.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.463 ' HB1' ' HA2' ' A' ' 41' ' ' GLY . . . -131.71 159.02 39.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.409 179.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.93 128.94 34.9 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.818 -176.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.07 135.91 36.04 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 176.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.545 HG23 HG23 ' A' ' 44' ' ' VAL . 1.0 OUTLIER -95.17 148.86 4.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.048 0.451 . . . . 0.0 111.361 -175.768 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -88.8 168.7 36.14 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.453 175.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -77.9 -28.5 5.01 Favored 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 122.812 2.342 . . . . 0.0 112.499 -177.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -126.49 49.81 1.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.988 0.423 . . . . 0.0 110.96 -177.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.05 -5.6 54.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.197 0.523 . . . . 0.0 110.926 177.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 92.5 m -105.18 114.63 28.93 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.316 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.48 61.44 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.559 0.695 . . . . 0.0 110.183 177.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.1 mt -126.42 -79.92 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.68 -177.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -149.44 -142.2 0.12 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -79.76 75.26 6.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.471 0.653 . . . . 0.0 109.848 175.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -126.98 145.65 50.62 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.537 179.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.82 147.45 35.45 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.3 -175.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -79.03 106.28 2.06 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 122.647 2.231 . . . . 0.0 111.675 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -109.27 157.26 19.01 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.164 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 51.5 t -102.05 89.24 3.56 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.582 175.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.532 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 0.6 OUTLIER -84.4 116.26 22.96 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.021 -176.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -78.42 115.92 18.46 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.559 175.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.36 80.22 5.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.314 0.578 . . . . 0.0 110.398 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 44.4 mtm -79.92 81.31 6.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.191 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 m -56.51 115.89 2.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.677 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.88 -1.13 9.99 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 110.611 -0.995 . . . . 0.0 110.611 -174.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.43 130.76 15.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.217 -0.492 . . . . 0.0 109.777 179.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.11 42.49 0.99 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.398 0.618 . . . . 0.0 110.589 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -122.88 114.3 20.29 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.297 -179.258 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.417 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 0.3 OUTLIER -81.54 104.65 12.11 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.16 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 20' ' ' CYS . . . -84.44 84.36 1.59 Allowed Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 179.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.604 ' HB2' HD11 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -94.31 91.16 6.58 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.324 0.583 . . . . 0.0 110.681 -174.16 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.795 ' HA ' ' HB2' ' A' ' 58' ' ' PHE . 1.7 t -69.47 144.21 14.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.786 177.191 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.8 t -58.03 115.78 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.815 0.34 . . . . 0.0 111.188 -176.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -90.73 93.28 1.84 Allowed Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 111.547 -0.621 . . . . 0.0 111.547 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -82.5 166.46 2.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 120.787 0.327 . . . . 0.0 110.355 -178.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 29.0 mm -64.45 111.9 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.299 -175.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.38 27.3 40.12 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.327 178.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.7 m -102.3 146.36 28.13 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.071 0.463 . . . . 0.0 110.96 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -80.93 131.86 35.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.464 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.4 t -91.64 -69.6 0.73 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.759 178.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.463 ' HA2' ' HB1' ' A' ' 2' ' ' ALA . . . 99.5 -39.15 2.83 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.83 -176.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -99.44 -100.27 0.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.479 0.18 . . . . 0.0 111.126 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.31 133.25 29.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.672 0.272 . . . . 0.0 111.337 -177.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.545 HG23 HG23 ' A' ' 5' ' ' ILE . 2.8 t -79.77 110.87 15.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.672 175.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.531 ' HG3' ' HB2' ' A' ' 20' ' ' CYS . 15.7 mtpp -119.67 135.86 54.64 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.605 -177.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 72.1 m -95.06 83.69 3.97 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.311 0.577 . . . . 0.0 110.103 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.6 m -109.55 -171.68 1.89 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.317 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -134.5 -58.1 0.83 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 176.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.579 ' HA ' ' CG ' ' A' ' 65' ' ' ASN . 4.9 t70 53.17 -141.77 0.84 Allowed 'General case' 0 C--O 1.235 0.316 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.404 -176.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.578 ' CG ' ' HB2' ' A' ' 53' ' ' ASN . 11.2 t0 -130.56 105.64 7.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.0 0.428 . . . . 0.0 110.672 177.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.521 HG11 HD11 ' A' ' 59' ' ' LEU . 16.5 m -79.19 -15.68 13.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.822 -177.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.69 -30.97 10.1 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.282 -175.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.578 ' HB2' ' CG ' ' A' ' 50' ' ' ASP . 3.3 m-20 -79.78 -54.27 6.0 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.849 0.357 . . . . 0.0 110.8 177.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.05 76.3 6.78 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 121.057 0.456 . . . . 0.0 110.924 -178.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -70.15 103.24 1.12 Allowed Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.481 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.496 HD21 ' HA ' ' A' ' 56' ' ' ASN . 0.6 OUTLIER -160.37 173.11 16.12 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 176.796 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.87 -9.65 59.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.269 0.557 . . . . 0.0 110.891 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.795 ' HB2' ' HA ' ' A' ' 32' ' ' VAL . 4.5 p90 -151.24 150.95 31.17 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.161 175.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.521 HD11 HG11 ' A' ' 51' ' ' VAL . 21.0 mt -100.94 115.18 29.82 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.123 0.487 . . . . 0.0 111.459 -172.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.2 mt -82.6 111.22 18.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 171.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.604 HD11 ' HB2' ' A' ' 31' ' ' CYS . 7.7 mm -77.48 135.74 25.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.868 0.366 . . . . 0.0 110.795 -173.111 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -79.36 40.26 0.42 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.565 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.406 ' H ' ' C ' ' A' ' 61' ' ' ILE . . . 64.27 -73.22 0.05 Allowed 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.511 0.724 . . . . 0.0 111.901 -178.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.79 59.81 3.23 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.212 0.53 . . . . 0.0 111.982 -174.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.579 ' CG ' ' HA ' ' A' ' 49' ' ' ASP . 0.9 OUTLIER -151.23 23.34 0.73 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.841 0.829 . . . . 0.0 109.894 173.406 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 5.5 t -135.99 162.94 31.47 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.472 -1.24 . . . . 0.0 109.009 177.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.2 t -79.88 -78.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.855 0.36 . . . . 0.0 110.896 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.412 ' C ' ' HZ2' ' A' ' 45' ' ' LYS . . . . . . . . 0 C--O 1.251 1.15 0 CA-C-O 117.975 -1.012 . . . . 0.0 109.717 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.002 0 CA-C-O 120.81 0.338 . . . . 0.0 111.416 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.45 145.73 24.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.568 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.44 131.83 35.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.142 0.496 . . . . 0.0 111.358 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.5 m -79.58 104.95 10.53 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.166 176.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.569 HD13 ' HA3' ' A' ' 34' ' ' GLY . 0.4 OUTLIER -108.93 154.37 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.935 0.398 . . . . 0.0 110.906 -178.563 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -159.57 -146.67 4.64 Favored Glycine 0 N--CA 1.445 -0.732 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.989 -179.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -88.79 22.77 0.81 Allowed 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 123.268 2.646 . . . . 0.0 113.305 -177.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.401 ' HA ' ' OG ' ' A' ' 11' ' ' SER . 1.9 p-10 -150.49 19.87 0.83 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.974 0.416 . . . . 0.0 111.6 179.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -93.06 -29.43 15.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.119 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.81 46.8 2.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.459 0.647 . . . . 0.0 109.672 177.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.401 ' OG ' ' HA ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -79.41 61.91 3.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.672 -176.378 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.6 mt -98.41 -89.23 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.956 176.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -113.09 -139.26 0.38 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 177.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -85.78 19.36 2.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.681 0.753 . . . . 0.0 109.606 173.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -78.59 137.36 37.83 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.122 -0.945 . . . . 0.0 108.88 176.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.89 153.49 39.32 Favored Pre-proline 0 C--N 1.319 -0.749 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.545 -174.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -76.7 103.23 1.72 Allowed 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 122.342 2.028 . . . . 0.0 111.167 176.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.824 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 51.5 m-85 -105.39 120.1 40.75 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.773 -177.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.487 ' HA ' ' O ' ' A' ' 43' ' ' SER . 63.7 m -99.08 102.02 13.58 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.322 0.582 . . . . 0.0 110.409 -177.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.519 ' HB3' ' HA ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -127.64 175.8 8.01 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.049 -175.572 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -110.96 147.54 34.47 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 174.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.02 120.19 23.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.805 0.336 . . . . 0.0 110.94 -177.345 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.431 ' SD ' ' HA ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -80.15 -156.09 0.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.591 178.526 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.9 69.95 2.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.087 0.47 . . . . 0.0 110.91 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.93 -86.5 0.77 Allowed Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.676 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.21 119.54 25.42 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.676 0.274 . . . . 0.0 110.304 -177.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -168.17 -178.4 3.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.765 -178.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.23 81.09 3.02 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 173.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.431 ' HA ' ' SD ' ' A' ' 23' ' ' MET . 0.5 OUTLIER -72.71 140.93 48.16 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.737 -172.645 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.08 122.24 5.78 Favored Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.586 178.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.824 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 11.1 t -125.66 160.88 28.55 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 120.666 0.27 . . . . 0.0 111.329 -174.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.8 t -124.62 130.81 73.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 173.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.3 p -66.44 125.71 24.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 178.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.569 ' HA3' HD13 ' A' ' 5' ' ' ILE . . . -65.01 -42.27 96.85 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.757 -176.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.0 t 72.32 149.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 122.998 0.519 . . . . 0.0 110.471 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.6 mm -74.25 111.81 10.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.129 -176.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.67 55.92 1.95 Allowed Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.423 177.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.09 165.2 28.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.932 0.396 . . . . 0.0 111.243 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -100.91 95.33 6.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.916 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -74.65 116.81 15.77 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.119 0.485 . . . . 0.0 111.199 -175.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.11 36.37 3.69 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.103 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.416 ' HB1' ' HB3' ' A' ' 19' ' ' CYS . . . -156.1 178.42 10.31 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 -177.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.487 ' O ' ' HA ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -74.97 123.27 24.83 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.037 -178.212 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.4 t -82.01 113.77 21.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.925 0.393 . . . . 0.0 111.114 -177.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -110.69 178.11 4.47 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.972 177.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -132.01 96.1 3.83 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.334 0.588 . . . . 0.0 110.231 179.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.1 m -123.93 -178.49 4.08 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.063 -178.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.59 -61.61 1.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.706 0.288 . . . . 0.0 110.552 178.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 t70 53.34 -137.42 1.23 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.792 -172.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -159.97 96.84 1.25 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.043 0.449 . . . . 0.0 111.065 175.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.2 t -77.12 65.9 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.362 0.601 . . . . 0.0 110.596 177.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.21 -33.11 26.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.731 178.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -160.36 -38.1 0.05 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.788 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.51 125.1 28.81 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.725 -177.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.685 ' HA2' ' HG ' ' A' ' 59' ' ' LEU . . . 147.35 73.77 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 111.411 -0.675 . . . . 0.0 111.411 -177.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -117.51 -98.07 0.45 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.95 -31.29 39.97 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.481 0.658 . . . . 0.0 109.896 175.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -142.25 149.58 39.79 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.531 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.685 ' HG ' ' HA2' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -130.28 110.03 11.23 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 174.848 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.1 mp -79.79 114.43 20.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.8 mt -80.95 133.67 28.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.279 -177.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -78.31 37.59 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 112.029 -177.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 62.85 -84.66 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 173.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.55 48.71 0.94 Allowed 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -166.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -134.74 -6.16 2.47 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.266 0.555 . . . . 0.0 109.946 172.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.9 t -88.68 135.47 33.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.474 172.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -79.36 -47.75 21.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 121.146 -0.222 . . . . 0.0 111.26 -174.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.837 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.515 -177.236 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.012 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.455 ' HA ' ' CA ' ' A' ' 41' ' ' GLY . . . -78.07 105.32 9.2 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.033 0.444 . . . . 0.0 110.145 -179.23 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.98 142.27 27.67 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.152 -176.096 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.48 124.82 39.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.583 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.482 ' O ' HG13 ' A' ' 5' ' ' ILE . 0.4 OUTLIER -94.8 143.33 11.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.365 178.849 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -109.48 -128.59 5.63 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.532 -177.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -79.39 73.59 5.95 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.987 2.458 . . . . 0.0 112.942 -175.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 69.78 104.43 0.06 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.349 177.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.39 -2.7 58.51 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.276 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 m -102.14 52.97 0.81 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.243 0.544 . . . . 0.0 111.133 -176.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.72 53.33 0.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.305 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.478 HD12 HG23 ' A' ' 12' ' ' ILE . 9.8 mm -109.29 -37.26 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.284 -179.371 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.0 t70 175.64 -147.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -175.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -81.01 68.61 7.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.603 0.716 . . . . 0.0 109.548 172.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.641 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . 29.4 m-85 -121.88 137.81 54.64 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.575 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.432 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -98.97 138.94 20.71 Favored Pre-proline 0 C--N 1.32 -0.715 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 -178.416 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 4.8 Cg_exo -77.97 119.3 4.66 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 123.057 2.505 . . . . 0.0 112.189 -176.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.434 ' HB3' ' HB3' ' A' ' 31' ' ' CYS . 66.5 m-85 -130.22 141.0 50.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.878 177.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.4 m -92.16 99.9 12.62 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.122 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.531 ' SG ' HD12 ' A' ' 29' ' ' LEU . 1.3 m -88.65 123.82 33.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.917 -176.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.859 ' HB2' ' HZ ' ' A' ' 58' ' ' PHE . 27.0 mt-30 -91.43 115.61 28.17 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 172.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.9 m -79.34 117.78 20.64 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.89 -178.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -79.83 69.59 6.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.252 -175.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.5 ' HB2' ' H ' ' A' ' 25' ' ' GLY . 0.7 OUTLIER 45.91 -107.2 0.14 Allowed 'General case' 0 C--O 1.237 0.442 0 O-C-N 123.998 0.811 . . . . 0.0 111.829 176.201 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.5 ' H ' ' HB2' ' A' ' 24' ' ' SER . . . -127.87 29.97 4.05 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.497 -178.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.62 -2.83 58.83 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.647 -0.325 . . . . 0.0 110.806 177.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 62.64 33.56 15.61 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.813 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.82 156.67 48.43 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.458 178.246 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.531 HD12 ' SG ' ' A' ' 20' ' ' CYS . 1.1 pt? -156.09 163.12 40.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.794 0.331 . . . . 0.0 110.739 -178.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.493 ' O ' ' HA ' ' A' ' 20' ' ' CYS . . . -141.47 140.33 10.16 Favored Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.434 ' HB3' ' HB3' ' A' ' 18' ' ' TYR . 0.1 OUTLIER -120.57 115.16 22.87 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.008 0.432 . . . . 0.0 110.765 -173.663 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.467 ' H ' HG21 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -90.02 155.23 3.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 175.343 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.499 HG11 ' O ' ' A' ' 33' ' ' VAL . 13.7 p -63.79 124.57 18.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.405 0.621 . . . . 0.0 111.686 -174.096 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.29 73.9 0.32 Allowed Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.56 178.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -78.14 168.45 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.3 pt -59.83 132.2 24.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.217 0.532 . . . . 0.0 111.221 -177.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.05 23.75 47.62 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.796 -0.716 . . . . 0.0 113.017 178.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.3 m -96.17 149.3 21.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.047 0.451 . . . . 0.0 110.934 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -108.42 99.03 8.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.857 178.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 68.5 m -114.77 113.59 24.46 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.166 0.508 . . . . 0.0 111.17 -176.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.455 ' CA ' ' HA ' ' A' ' 2' ' ' ALA . . . -98.57 52.71 1.16 Allowed Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.645 176.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -149.65 -173.75 4.49 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 -177.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.09 88.38 2.42 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.911 0.386 . . . . 0.0 111.172 -179.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.5 t -66.73 127.79 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 176.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.459 ' HB3' ' SG ' ' A' ' 66' ' ' CYS . 0.5 OUTLIER -135.19 170.98 15.08 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.076 0.465 . . . . 0.0 110.935 -176.31 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.641 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 97.6 m -111.11 109.72 19.92 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.288 -179.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.73 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 0.6 OUTLIER -112.65 139.47 48.23 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.161 0.505 . . . . 0.0 110.816 -178.829 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -102.01 35.04 2.48 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 174.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -77.34 156.89 30.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.347 -175.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -87.38 -16.27 35.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.691 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.1 t 60.71 46.32 0.27 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.142 0 CA-C-O 121.825 0.821 . . . . 0.0 110.293 -178.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.28 4.41 54.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.58 176.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -79.92 144.94 32.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.792 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.45 108.98 13.4 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.639 -178.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -147.82 131.69 3.96 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.878 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -80.4 -48.43 12.91 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.068 0.461 . . . . 0.0 110.468 178.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.08 -62.97 1.19 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.522 177.211 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.859 ' HZ ' ' HB2' ' A' ' 21' ' ' GLN . 1.1 t80 -84.28 114.29 21.74 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.395 178.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.92 128.77 54.0 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.069 178.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.6 mp -85.78 123.29 39.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.451 HG23 ' HB2' ' A' ' 66' ' ' CYS . 0.9 OUTLIER -111.26 135.74 49.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.857 -178.669 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.405 ' N ' HG21 ' A' ' 61' ' ' ILE . 32.2 t-20 -61.14 137.23 58.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.219 -178.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.71 -9.72 55.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.834 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.45 -11.49 54.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.447 175.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -107.6 -33.32 7.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.856 -178.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.73 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 1.9 t -94.53 130.97 40.73 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 174.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 46' ' ' CYS . 29.0 m -88.16 171.29 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.21 0.529 . . . . 0.0 111.888 -174.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.077 -0.963 . . . . 0.0 109.91 179.066 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.474 0.763 0 CA-C-O 120.789 0.328 . . . . 0.0 110.806 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.583 ' HB3' ' HG3' ' A' ' 39' ' ' GLN . . . -114.74 91.74 3.72 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.047 0.451 . . . . 0.0 110.35 178.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.64 138.4 37.39 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.588 -176.003 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.02 89.41 7.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.015 0.436 . . . . 0.0 110.66 178.072 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.429 ' H ' HG21 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -79.72 117.78 26.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 178.215 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.11 -138.48 10.23 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.669 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -77.79 73.26 5.74 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.984 2.456 . . . . 0.0 111.179 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 51.6 t30 73.99 113.88 0.06 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.954 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.2 m -88.01 -15.47 36.33 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.556 177.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 56.9 m -109.1 74.74 0.92 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.722 -177.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.28 54.03 1.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.964 0.411 . . . . 0.0 110.818 178.152 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.2 mt -127.09 102.28 9.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.443 -178.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.6 t70 58.98 -105.4 0.25 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.047 177.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.508 ' CG ' ' HZ1' ' A' ' 16' ' ' LYS . 27.6 t70 -134.02 33.74 3.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.864 0.84 . . . . 0.0 109.967 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.469 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . 0.1 OUTLIER -83.47 115.14 21.93 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.188 178.176 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.508 ' HZ1' ' CG ' ' A' ' 14' ' ' ASP . 2.9 mptt -85.82 139.92 35.28 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.219 -179.207 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_endo -79.88 133.04 9.95 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 122.625 2.217 . . . . 0.0 111.921 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.621 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 86.3 m-85 -132.55 128.69 37.81 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.76 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 29.8 m -81.99 103.22 11.47 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 177.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.638 ' SG ' ' HB3' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -100.45 130.82 46.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.932 -0.577 . . . . 0.0 112.019 -172.631 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.411 ' H ' ' HG2' ' A' ' 21' ' ' GLN . 3.5 mm-40 -80.61 152.81 28.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.163 177.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.36 85.67 5.81 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.087 0.47 . . . . 0.0 111.905 -175.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.14 -71.51 0.6 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.024 0.44 . . . . 0.0 110.037 174.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.3 p -152.58 -60.6 0.15 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.269 0.557 . . . . 0.0 109.999 178.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.881 ' HA2' HD21 ' A' ' 29' ' ' LEU . . . 101.46 -8.28 56.7 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.57 -177.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.73 31.64 6.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.199 0.523 . . . . 0.0 110.476 -179.23 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -162.99 -63.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.338 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.0 m -152.67 151.17 30.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.415 177.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.881 HD21 ' HA2' ' A' ' 25' ' ' GLY . 0.6 OUTLIER -119.55 128.22 53.72 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.729 0.3 . . . . 0.0 110.251 179.379 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -95.83 88.81 1.08 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.707 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.621 ' HB2' ' HB3' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -125.53 117.08 22.83 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.08 0.467 . . . . 0.0 111.2 -176.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.681 HG13 ' HB2' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -86.91 163.04 2.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.693 175.074 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.6 p -61.1 135.95 25.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.895 0.379 . . . . 0.0 110.907 -177.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.77 116.75 9.8 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.238 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -79.5 115.99 22.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 120.901 0.381 . . . . 0.0 110.491 179.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -59.72 130.62 23.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.765 -175.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.67 31.81 60.09 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.575 175.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m -129.91 158.45 39.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.063 0.459 . . . . 0.0 111.485 -177.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.583 ' HG3' ' HB3' ' A' ' 2' ' ' ALA . 5.6 tp60 -91.99 94.83 9.46 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.753 177.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -80.36 113.81 18.81 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.195 179.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.416 ' HA2' ' HA ' ' A' ' 2' ' ' ALA . . . -85.94 44.36 3.34 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.697 -178.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -153.87 157.97 40.08 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -176.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.415 ' HB2' ' HE2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -63.95 106.33 1.01 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.228 -178.5 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.5 t -78.97 122.06 33.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.752 0.31 . . . . 0.0 110.243 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.415 ' HE2' ' HB2' ' A' ' 43' ' ' SER . 1.5 mttt -122.15 167.09 13.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.919 179.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.469 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 4.1 m -105.69 112.62 25.77 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.119 0.485 . . . . 0.0 109.785 177.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.477 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 2.8 m -127.62 150.29 49.8 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.011 0.434 . . . . 0.0 111.359 -174.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.74 68.77 0.92 Allowed 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 173.096 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.688 ' HB2' HG23 ' A' ' 61' ' ' ILE . 1.9 t70 -90.8 -168.12 2.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.794 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -90.5 107.64 19.29 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 177.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.7 p -126.52 85.12 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.793 0.806 . . . . 0.0 111.214 -176.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.7 m -85.88 -22.33 27.56 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.573 0.702 . . . . 0.0 109.742 172.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -160.33 -155.91 0.46 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.104 177.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.68 17.31 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.816 0.341 . . . . 0.0 111.319 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.98 -107.41 2.12 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -174.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -108.94 -88.09 0.49 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 174.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.49 -22.29 14.56 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.552 0.691 . . . . 0.0 109.316 171.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.681 ' HB2' HG13 ' A' ' 32' ' ' VAL . 3.6 p90 -160.58 173.84 14.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.743 -1.117 . . . . 0.0 108.488 178.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 mt -103.74 142.53 34.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.087 0.47 . . . . 0.0 111.913 -174.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.7 mt -114.0 120.83 64.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.3 175.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.688 HG23 ' HB2' ' A' ' 49' ' ' ASP . 22.2 mt -115.41 153.04 16.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.799 -174.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.555 ' N ' HG22 ' A' ' 61' ' ' ILE . 22.3 t-20 -96.5 148.67 22.58 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.207 176.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.65 7.06 9.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.862 0.363 . . . . 0.0 111.527 -177.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -90.43 -36.82 14.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.136 0.493 . . . . 0.0 110.983 178.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.591 ' ND2' ' HA ' ' A' ' 49' ' ' ASP . 10.6 p-10 -103.9 -11.73 17.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.216 0.531 . . . . 0.0 110.776 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.484 ' HB2' HG21 ' A' ' 61' ' ' ILE . 53.3 t -102.07 147.16 26.93 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.653 170.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.5 m -100.36 101.67 12.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.396 0.617 . . . . 0.0 110.253 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.166 0 CA-C-O 118.606 -0.711 . . . . 0.0 110.387 -178.812 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.475 0.8 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.56 93.18 5.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.857 0.36 . . . . 0.0 110.391 177.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.16 131.06 38.09 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.755 -178.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.623 ' HA ' ' HA ' ' A' ' 39' ' ' GLN . 1.3 m -91.44 129.98 37.35 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.969 -176.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.55 ' HB ' ' HG1' ' A' ' 9' ' ' THR . 3.8 pt -114.13 144.37 21.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.072 177.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -88.16 -150.22 19.91 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.556 -0.83 . . . . 0.0 111.862 177.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -79.55 -5.56 14.16 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 123.074 2.516 . . . . 0.0 112.183 177.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -161.48 104.24 1.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.112 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.55 ' HG1' ' HB ' ' A' ' 5' ' ' ILE . 0.3 OUTLIER -101.45 -15.39 17.18 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 179.583 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.8 m -123.98 76.81 1.48 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.93 0.395 . . . . 0.0 111.081 -175.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.24 61.51 4.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.171 0.51 . . . . 0.0 111.256 -178.109 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.1 mt -116.75 -56.44 3.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.775 178.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -172.82 -134.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.066 178.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -79.52 66.43 4.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.629 0.728 . . . . 0.0 110.126 177.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -122.52 121.39 36.44 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.009 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.27 135.91 26.32 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.612 -175.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -79.4 101.76 1.44 Allowed 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 122.598 2.199 . . . . 0.0 111.41 177.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -101.58 131.89 47.54 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.059 -176.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.423 ' HB3' ' HB3' ' A' ' 40' ' ' CYS . 2.8 m -79.54 97.18 6.35 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.561 175.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -104.13 117.4 34.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.22 0.533 . . . . 0.0 111.83 -173.803 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.405 ' H ' ' HG2' ' A' ' 21' ' ' GLN . 1.5 mm-40 -81.33 116.19 21.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.28 175.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.56 148.05 31.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.9 0.381 . . . . 0.0 110.603 -177.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.474 ' HB3' ' H ' ' A' ' 24' ' ' SER . 2.4 mtt -113.09 -153.32 0.52 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.67 -177.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.474 ' H ' ' HB3' ' A' ' 23' ' ' MET . 0.0 OUTLIER -88.1 -144.45 0.13 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.276 -179.767 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.86 61.59 3.32 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.506 178.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.39 147.44 49.17 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.592 0.234 . . . . 0.0 110.656 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.41 42.63 1.01 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.323 0.583 . . . . 0.0 110.015 177.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -133.79 148.44 51.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.072 -178.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.28 -175.91 3.51 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 177.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 20' ' ' CYS . . . -149.31 78.37 0.22 Allowed Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -176.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 1.4 m -94.91 143.64 26.3 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.466 0.65 . . . . 0.0 111.794 -172.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -130.52 156.72 42.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 170.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.2 p -65.57 135.41 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.583 0.23 . . . . 0.0 110.542 -177.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.53 130.23 47.76 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.589 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.482 ' HB ' ' HB2' ' A' ' 38' ' ' SER . 0.2 OUTLIER -69.79 -20.14 23.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.83 -0.185 . . . . 0.0 111.299 -177.454 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.2 mm 67.82 104.36 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 O-C-N 123.553 0.533 . . . . 0.0 111.154 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.48 22.89 57.73 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.933 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.482 ' HB2' ' HB ' ' A' ' 35' ' ' VAL . 3.4 m -148.75 173.52 13.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.77 0.319 . . . . 0.0 110.413 -177.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.623 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 1.9 mp0 -80.24 138.68 36.85 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.423 -179.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.423 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 1.2 m -87.19 -15.61 37.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.029 0.443 . . . . 0.0 110.848 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.72 -13.81 40.31 Favored Glycine 0 CA--C 1.519 0.287 0 CA-C-N 115.927 -0.579 . . . . 0.0 113.439 175.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -159.72 -162.25 1.0 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.764 0.282 . . . . 0.0 110.719 -178.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.96 126.95 29.81 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 123.569 0.543 . . . . 0.0 111.838 -177.058 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.7 t -86.95 102.35 12.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.091 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 45' ' ' LYS . 26.7 mmmt -91.58 128.82 37.56 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.904 -176.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 96.2 m -92.65 83.35 4.86 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 174.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.665 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 0.6 OUTLIER -108.11 148.33 29.97 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.741 -171.861 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.57 -48.98 5.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.099 174.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.572 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 37.8 t70 54.38 -111.06 0.59 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 114.547 -1.206 . . . . 0.0 110.022 -177.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -171.69 -34.09 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 50.7 t 69.17 115.91 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.231 0.12 0 CA-C-N 114.907 -1.042 . . . . 0.0 112.037 172.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 10.1 t -79.21 151.85 30.98 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 174.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -79.45 -9.28 59.57 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.059 0.457 . . . . 0.0 111.006 -175.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -88.17 120.67 29.74 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.367 176.19 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -76.96 157.04 46.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.804 -177.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -159.87 168.48 25.67 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.76 -12.64 59.77 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.842 0.353 . . . . 0.0 110.733 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -136.96 134.99 37.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.814 -178.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.4 mt -117.53 93.08 4.02 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 176.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.8 mt -79.7 72.08 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.126 0.489 . . . . 0.0 111.57 -173.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.508 HG22 ' HB2' ' A' ' 49' ' ' ASP . 2.3 mt -84.11 152.67 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.72 175.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.486 ' N ' HG21 ' A' ' 61' ' ' ILE . 8.9 t-20 -101.14 160.28 14.52 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 178.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.02 51.95 1.02 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.241 0.544 . . . . 0.0 111.011 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -114.37 -44.63 3.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.255 -177.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.572 ' ND2' ' HA ' ' A' ' 49' ' ' ASP . 0.3 OUTLIER -103.31 14.89 30.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.96 -176.248 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.665 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -105.51 122.15 45.41 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.037 177.661 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.4 m -78.98 -19.08 12.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.885 0.374 . . . . 0.0 111.16 -175.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.857 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.486 ' O ' ' HA2' ' A' ' 41' ' ' GLY . 0.2 OUTLIER . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.52 87.35 4.38 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.066 0.46 . . . . 0.0 110.357 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.18 128.76 33.7 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.475 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.38 119.23 36.7 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.246 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.508 ' HB ' ' OG1' ' A' ' 9' ' ' THR . 8.8 pt -104.07 162.58 4.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.503 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -93.74 -144.11 14.81 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.827 -0.702 . . . . 0.0 111.913 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.608 ' HA ' HG12 ' A' ' 36' ' ' ILE . 4.7 Cg_exo -78.42 -32.8 2.1 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.449 2.099 . . . . 0.0 111.164 175.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -145.45 123.25 11.92 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 172.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.508 ' OG1' ' HB ' ' A' ' 5' ' ' ILE . 0.3 OUTLIER -125.64 44.48 2.82 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.438 0.637 . . . . 0.0 110.849 179.253 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.7 t -159.54 79.7 0.73 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.041 179.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.31 39.58 2.15 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.177 0.513 . . . . 0.0 110.799 -179.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.411 ' HA ' HD13 ' A' ' 12' ' ' ILE . 50.4 mm -78.75 -52.57 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.246 -178.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -170.97 -125.0 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.394 -0.821 . . . . 0.0 108.952 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -93.9 67.09 3.71 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.295 0.569 . . . . 0.0 109.635 174.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -132.18 153.78 50.21 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.006 178.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.0 mttm -112.42 146.24 34.54 Favored Pre-proline 0 C--N 1.32 -0.698 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -78.7 98.89 1.22 Allowed 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 122.476 2.117 . . . . 0.0 112.084 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.562 ' HB3' ' HB3' ' A' ' 31' ' ' CYS . 37.5 m-85 -107.86 116.17 31.47 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.428 -179.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.653 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 34.1 m -78.52 87.58 4.49 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 174.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.937 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 7.4 t -94.61 123.59 38.14 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.542 -169.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -83.37 99.33 9.98 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.664 176.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.37 103.85 8.58 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 175.079 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.85 ' HB2' ' HB2' ' A' ' 28' ' ' SER . 67.7 mtp -82.06 29.11 0.41 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.696 -173.4 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 35.74 78.54 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 O-C-N 124.299 1.0 . . . . 0.0 112.936 176.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 169.21 -123.27 1.07 Allowed Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 119.836 -1.173 . . . . 0.0 113.626 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.22 67.55 9.26 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -169.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 55.51 25.16 7.55 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.783 175.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.85 ' HB2' ' HB2' ' A' ' 23' ' ' MET . 0.4 OUTLIER -78.72 83.65 4.86 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.827 -177.342 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.568 ' HB3' ' SG ' ' A' ' 20' ' ' CYS . 8.0 mt -108.79 98.58 8.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.251 178.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.434 ' HA3' ' CZ ' ' A' ' 58' ' ' PHE . . . -97.09 87.74 0.92 Allowed Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 177.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.937 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -97.36 118.56 34.11 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.153 0.501 . . . . 0.0 111.251 -173.886 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.6 t -97.22 140.14 18.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.805 176.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.4 ' H ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -62.97 124.7 18.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.011 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -76.32 123.02 6.65 Favored Glycine 0 N--CA 1.444 -0.795 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 176.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.458 ' HB ' ' H ' ' A' ' 36' ' ' ILE . 0.5 OUTLIER -94.82 -110.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.47 0.176 . . . . 0.0 110.7 -177.23 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.608 HG12 ' HA ' ' A' ' 7' ' ' PRO . 78.2 mt -134.76 110.79 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.72 0.295 . . . . 0.0 110.298 -178.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' A' ' 5' ' ' ILE . . . 73.12 32.42 60.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.761 -179.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.97 139.73 35.64 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.24 0.543 . . . . 0.0 111.385 -178.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -91.34 99.13 12.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.208 175.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.508 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 66.5 m -97.8 110.69 23.21 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.065 -176.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.486 ' HA2' ' O ' ' A' ' 1' ' ' SER . . . -85.92 38.55 3.04 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 121.069 -0.586 . . . . 0.0 111.827 179.119 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -160.09 172.63 17.13 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -176.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.03 109.58 4.62 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.148 0.499 . . . . 0.0 111.343 -177.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.653 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 2.1 p -77.25 107.29 8.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.387 0.613 . . . . 0.0 109.393 174.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.513 ' HB3' ' HB2' ' A' ' 68' ' ' ALA . 2.9 mttt -112.94 157.75 21.08 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.692 -175.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 18.1 m -96.49 95.4 7.99 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.931 177.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.417 ' HB3' ' HB2' ' A' ' 66' ' ' CYS . 1.8 m -107.45 143.22 36.12 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.926 0.393 . . . . 0.0 110.955 -178.326 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 65' ' ' ASN . 0.1 OUTLIER -90.41 81.28 6.01 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 172.656 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -66.0 153.21 42.79 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.211 -175.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -102.68 -14.24 16.77 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.683 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.9 t 55.27 30.65 0.16 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.29 -2.26 58.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.943 176.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -105.24 110.09 22.33 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.184 -0.916 . . . . 0.0 108.556 173.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.39 69.45 5.63 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.185 0.517 . . . . 0.0 111.551 -174.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.49 ' HA3' ' O ' ' A' ' 58' ' ' PHE . . . -103.58 139.12 14.37 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.794 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -101.04 -49.62 4.05 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.846 0.355 . . . . 0.0 110.276 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.94 -2.87 24.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.007 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.49 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -156.3 129.36 7.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.279 -179.072 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.42 ' HB3' HD11 ' A' ' 61' ' ' ILE . 0.7 OUTLIER -124.39 129.91 51.54 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 176.085 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 56.4 mt -102.88 108.48 24.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.21 0.529 . . . . 0.0 110.416 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.42 HD11 ' HB3' ' A' ' 59' ' ' LEU . 3.8 mp -107.08 143.12 18.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.943 -177.152 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -85.36 163.84 18.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.307 0.575 . . . . 0.0 111.451 -176.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.24 16.05 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.801 -175.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.94 -45.31 5.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.954 0.407 . . . . 0.0 110.338 176.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 48' ' ' LYS . 15.7 p-10 -86.25 -19.36 30.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.702 178.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.417 ' HB2' ' HB3' ' A' ' 47' ' ' CYS . 18.5 t -97.22 134.73 40.14 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 170.106 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.9 m -105.25 39.83 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -173.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.513 ' HB2' ' HB3' ' A' ' 45' ' ' LYS . . . . . . . . 0 C--O 1.245 0.841 0 CA-C-O 118.637 -0.697 . . . . 0.0 110.51 178.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.474 0.737 0 CA-C-O 120.556 0.217 . . . . 0.0 110.569 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' A' ' 40' ' ' CYS . . . -96.76 109.42 22.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.982 0.42 . . . . 0.0 111.019 -178.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.89 -21.28 44.2 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.546 178.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.745 HG22 ' HG3' ' A' ' 39' ' ' GLN . 19.2 m 72.18 123.64 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.597 -178.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.566 ' H ' ' HA ' ' A' ' 39' ' ' GLN . 0.7 OUTLIER -108.82 101.27 12.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-O 121.55 0.691 . . . . 0.0 110.485 178.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.15 -155.29 29.54 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.646 175.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -81.99 8.75 4.29 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.727 2.285 . . . . 0.0 113.346 -176.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -153.39 38.52 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.887 0.375 . . . . 0.0 111.926 -178.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.68 -64.68 1.13 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.003 0.43 . . . . 0.0 110.104 173.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -128.9 56.66 1.66 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.383 0.611 . . . . 0.0 109.544 177.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -121.03 53.26 1.15 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.223 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.0 mm -73.01 -63.81 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.705 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.402 ' HB3' ' H ' ' A' ' 14' ' ' ASP . 16.2 t70 -146.92 -107.55 0.09 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.921 -178.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.402 ' H ' ' HB3' ' A' ' 13' ' ' ASP . 20.3 t0 -84.91 2.55 42.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.53 0.681 . . . . 0.0 109.978 174.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -78.66 112.93 16.26 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 173.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -83.49 159.62 61.01 Favored Pre-proline 0 C--N 1.318 -0.79 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.707 -175.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -78.63 103.93 1.74 Allowed 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 122.456 2.104 . . . . 0.0 110.96 178.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.79 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 11.9 m-85 -115.05 124.7 52.26 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.589 -174.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 23.7 m -94.75 100.19 12.15 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 171.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -92.18 132.52 36.58 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.362 0.601 . . . . 0.0 111.952 -171.858 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -86.95 80.63 8.37 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 171.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.458 ' HA ' ' HB3' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -77.94 118.56 20.36 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.53 -174.703 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.7 mtt -91.39 -179.64 5.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.933 -175.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.95 25.74 2.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.19 -3.28 26.85 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.781 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.99 -59.04 5.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.842 0.353 . . . . 0.0 111.412 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -141.92 41.88 1.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 176.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.2 m 59.32 -102.68 0.15 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.19 -177.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.458 ' HB3' ' HA ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -149.14 131.09 15.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.086 0.47 . . . . 0.0 111.078 -178.9 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -104.42 118.46 5.95 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 175.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.79 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 0.1 OUTLIER -100.78 141.8 33.14 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.179 0.514 . . . . 0.0 111.877 -172.207 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.533 HG13 ' O ' ' A' ' 57' ' ' SER . 1.7 t -116.98 153.49 18.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.352 -0.84 . . . . 0.0 108.961 172.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.5 t -69.45 110.24 2.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.829 0.347 . . . . 0.0 110.498 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.66 101.9 1.7 Allowed Glycine 0 N--CA 1.443 -0.836 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.925 -178.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.455 ' H ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -68.56 125.25 25.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 120.721 0.296 . . . . 0.0 110.554 -179.635 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.2 mt -56.38 123.78 8.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.163 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.88 -8.77 54.64 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.855 176.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.38 -1.81 46.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 117.035 0.418 . . . . 0.0 111.647 -176.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.745 ' HG3' HG22 ' A' ' 4' ' ' THR . 0.0 OUTLIER 67.61 146.29 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.697 0.623 . . . . 0.0 111.35 -178.781 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 4.9 t -109.02 120.18 41.78 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 177.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -99.8 19.55 52.91 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.194 -178.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.487 ' HB1' ' H ' ' A' ' 43' ' ' SER . . . -142.45 -152.27 0.4 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.487 ' H ' ' HB1' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -90.21 118.87 30.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.862 0.363 . . . . 0.0 110.751 179.303 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.5 t -79.25 109.17 13.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 177.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.418 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 7.7 mmmt -103.53 122.56 45.2 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.955 0.407 . . . . 0.0 110.67 -176.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.6 m -84.5 90.77 7.7 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.951 179.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.515 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 4.1 m -124.16 158.25 32.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.617 -176.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 tttm -102.38 -47.9 4.34 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 174.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.776 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 2.9 t70 49.89 -139.38 0.86 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.147 -1.388 . . . . 0.0 111.226 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -143.78 89.64 2.07 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.117 0.484 . . . . 0.0 110.477 176.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.507 ' H ' HG21 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -86.14 76.79 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.044 177.641 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.18 -18.32 55.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.093 -177.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -91.11 138.59 31.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.108 178.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.27 56.58 2.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.369 0.604 . . . . 0.0 110.905 -178.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 119.21 88.03 1.13 Allowed Glycine 0 N--CA 1.445 -0.717 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.398 -177.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -112.19 153.55 26.89 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.533 ' O ' HG13 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -88.48 -73.83 0.48 Allowed 'General case' 0 N--CA 1.444 -0.736 0 CA-C-O 120.946 0.403 . . . . 0.0 110.114 -179.912 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -104.95 118.83 37.51 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 121.115 0.484 . . . . 0.0 111.328 -176.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.69 119.17 28.21 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.506 174.554 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.545 ' O ' HG21 ' A' ' 60' ' ' ILE . 0.7 OUTLIER -85.71 132.71 31.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.567 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.458 HG23 ' H ' ' A' ' 63' ' ' ALA . 25.0 mt -104.7 136.85 36.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -175.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.39 17.61 0.82 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.07 177.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.458 ' H ' HG23 ' A' ' 61' ' ' ILE . . . 72.79 -38.39 0.42 Allowed 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.881 0.872 . . . . 0.0 113.055 174.003 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.94 8.22 5.94 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -175.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.776 ' ND2' ' HA ' ' A' ' 49' ' ' ASP . 2.3 m-20 -105.02 2.51 29.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.517 0.675 . . . . 0.0 110.487 179.162 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.515 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 13.0 m -109.21 159.33 17.01 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.738 178.488 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -98.2 -9.59 8.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.052 0.453 . . . . 0.0 110.397 175.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.941 0 CA-C-O 117.632 -1.175 . . . . 0.0 108.766 179.705 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.829 0 CA-C-O 120.753 0.311 . . . . 0.0 110.45 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.7 97.59 7.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.532 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.04 134.03 36.18 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.639 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -87.88 104.58 16.74 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 172.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.805 ' HB ' HG23 ' A' ' 9' ' ' THR . 4.4 pt -84.62 139.17 17.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.279 0.562 . . . . 0.0 111.665 -172.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.8 -164.46 27.0 Favored Glycine 0 N--CA 1.444 -0.823 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 173.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.655 ' HA ' HD13 ' A' ' 36' ' ' ILE . 3.5 Cg_exo -78.16 -29.27 4.19 Favored 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 122.663 2.242 . . . . 0.0 112.215 -178.388 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -100.98 43.15 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.581 -175.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.805 HG23 ' HB ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -78.98 -58.97 2.97 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.014 -178.777 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 97.0 m -106.25 62.87 0.65 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.05 0.452 . . . . 0.0 110.33 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.55 85.02 3.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.299 0.571 . . . . 0.0 111.24 -178.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mt -131.36 -52.01 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.575 0.702 . . . . 0.0 109.271 175.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -162.49 -142.93 0.08 Allowed 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 178.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -79.79 63.65 4.41 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 171.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -109.21 116.67 32.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.169 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.77 132.99 56.09 Favored Pre-proline 0 C--N 1.316 -0.872 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.567 -174.316 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -78.08 98.21 1.19 Allowed 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 122.724 2.283 . . . . 0.0 110.862 176.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.469 ' CD2' ' HB3' ' A' ' 47' ' ' CYS . 37.1 m-85 -93.42 129.89 39.41 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.878 -175.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.413 ' O ' HG22 ' A' ' 32' ' ' VAL . 64.6 m -81.23 101.88 10.0 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.313 174.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.56 ' SG ' ' HB2' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -100.84 128.32 46.93 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.208 0.528 . . . . 0.0 111.596 -174.206 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.9 129.8 40.49 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.406 -0.816 . . . . 0.0 108.919 171.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.22 79.07 4.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.312 0.577 . . . . 0.0 110.634 -177.087 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -78.22 99.89 6.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.081 -178.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.41 108.2 17.75 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.483 -176.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.58 -10.99 11.3 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.658 -176.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.65 142.18 50.39 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.38 -38.9 29.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.932 0.396 . . . . 0.0 110.779 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.0 104.79 7.69 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.569 178.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.56 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -89.19 144.66 25.95 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.974 0.416 . . . . 0.0 110.119 178.043 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.721 ' HA3' ' HE2' ' A' ' 58' ' ' PHE . . . -83.65 101.44 2.37 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.933 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.452 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 0.8 OUTLIER -106.47 111.01 23.39 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.859 0.361 . . . . 0.0 110.672 -176.003 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.807 HG12 ' HB2' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -101.67 135.24 39.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 176.554 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.3 p -58.17 125.85 14.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.165 0.507 . . . . 0.0 111.827 -174.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.54 133.75 30.29 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.633 176.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -89.17 -0.76 8.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.608 0.242 . . . . 0.0 111.344 -175.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.655 HD13 ' HA ' ' A' ' 7' ' ' PRO . 44.1 mm 71.84 113.32 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.713 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.19 18.63 52.97 Favored Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 -174.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.19 162.57 18.01 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.354 -0.423 . . . . 0.0 110.591 -177.22 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.418 ' H ' ' HG2' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -92.08 122.07 34.23 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 175.783 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.527 ' SG ' HG23 ' A' ' 5' ' ' ILE . 0.8 OUTLIER -72.92 -16.12 61.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.723 -175.544 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.77 -49.16 4.19 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.973 176.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.472 ' HB1' ' H ' ' A' ' 43' ' ' SER . . . -134.94 -120.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.71 0.29 . . . . 0.0 111.404 -178.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.472 ' H ' ' HB1' ' A' ' 42' ' ' ALA . 0.8 OUTLIER -87.39 123.21 32.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.03 0.443 . . . . 0.0 111.571 -174.565 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.2 t -83.16 124.93 39.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.917 175.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.417 ' HE2' HD12 ' A' ' 29' ' ' LEU . 17.5 mmmt -117.44 130.19 56.31 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.94 0.4 . . . . 0.0 111.17 -178.144 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 72.6 m -85.5 93.4 8.77 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 174.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.747 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 3.7 t -115.83 151.78 34.6 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.772 -170.356 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.26 41.62 1.39 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.654 174.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -65.57 136.64 56.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.556 178.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.52 77.53 4.39 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.483 ' H ' HG21 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -34.47 109.47 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 O-C-N 124.556 1.16 . . . . 0.0 112.466 -178.448 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.21 172.44 7.07 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.797 -176.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.47 -3.65 47.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.983 0.421 . . . . 0.0 111.293 -178.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.85 -8.34 58.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.816 -175.573 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -75.01 128.24 9.87 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.587 -0.816 . . . . 0.0 111.922 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.508 ' HB3' ' H ' ' A' ' 57' ' ' SER . 33.5 t30 -82.3 -97.49 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.602 0.239 . . . . 0.0 110.4 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.508 ' H ' ' HB3' ' A' ' 56' ' ' ASN . 1.0 OUTLIER -84.12 -39.95 18.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.0 0.429 . . . . 0.0 110.378 177.365 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.807 ' HB2' HG12 ' A' ' 32' ' ' VAL . 1.0 OUTLIER -153.13 156.66 39.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.116 179.367 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.81 102.91 15.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.226 0.536 . . . . 0.0 111.796 -173.156 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.441 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -86.39 93.32 3.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 174.474 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.439 ' H ' HG13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -88.87 172.28 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.155 0.503 . . . . 0.0 112.05 -172.236 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.96 -2.92 57.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.581 -176.612 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 74.0 -20.96 0.29 Allowed 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 172.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.67 -3.56 44.7 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -173.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -97.63 -14.42 20.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.21 0.528 . . . . 0.0 110.612 178.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.747 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 1.9 m -80.98 149.17 29.44 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.547 173.142 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.1 m -100.49 -18.78 6.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-O 121.08 0.467 . . . . 0.0 110.849 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.486 178.874 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.476 0.872 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.515 ' HA ' ' HA2' ' A' ' 41' ' ' GLY . . . -78.73 103.16 8.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.946 0.403 . . . . 0.0 110.401 179.112 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.32 128.55 46.36 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.708 -179.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.47 93.61 9.6 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.347 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.595 HD12 ' HA3' ' A' ' 34' ' ' GLY . 1.0 OUTLIER -72.82 141.42 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.178 -179.883 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -109.68 -122.96 4.58 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.535 -0.84 . . . . 0.0 111.961 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -78.47 78.23 3.72 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.705 2.27 . . . . 0.0 112.613 -178.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.501 ' OD1' ' HD3' ' A' ' 17' ' ' PRO . 22.1 t-20 59.1 87.25 0.08 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.927 174.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.29 -7.72 58.51 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.486 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . 44.1 m -134.2 51.08 2.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.578 -178.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.8 -56.48 6.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.757 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.412 ' HB ' ' H ' ' A' ' 13' ' ' ASP . 5.0 mt 45.82 -106.41 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.372 -177.291 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.412 ' H ' ' HB ' ' A' ' 12' ' ' ILE . 18.3 t70 -92.18 -77.32 0.44 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 178.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -140.26 50.58 1.7 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.952 0.882 . . . . 0.0 108.968 171.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.402 ' CD1' ' HB ' ' A' ' 12' ' ' ILE . 85.8 m-85 -98.14 171.0 8.51 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.951 -176.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.38 152.4 73.15 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.195 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.501 ' HD3' ' OD1' ' A' ' 8' ' ' ASN . 74.2 Cg_endo -79.93 114.57 3.17 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.562 2.174 . . . . 0.0 112.019 178.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.681 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 49.4 m-85 -125.26 113.98 18.34 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.431 -178.527 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.454 ' HB3' ' HB3' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -79.93 113.06 17.8 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 175.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.446 ' O ' ' HB1' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -109.97 147.27 33.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.159 0.504 . . . . 0.0 112.299 -172.51 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.469 ' HB2' ' H ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -118.18 -154.63 0.57 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.364 -0.834 . . . . 0.0 108.949 174.268 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.469 ' H ' ' HB2' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -126.79 135.51 51.14 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.609 0.242 . . . . 0.0 110.833 -179.624 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.422 ' HG2' ' O ' ' A' ' 29' ' ' LEU . 30.6 mmt -94.74 134.55 37.22 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 176.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.57 -62.18 1.71 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.704 -175.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.67 -37.31 6.52 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.664 -176.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.87 137.33 40.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.792 0.329 . . . . 0.0 110.699 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.45 71.25 9.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.077 0.465 . . . . 0.0 110.835 -179.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.2 m -161.09 179.77 8.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.916 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.422 ' O ' ' HG2' ' A' ' 23' ' ' MET . 1.0 OUTLIER -98.19 -69.24 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.036 0.446 . . . . 0.0 110.897 -178.87 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.694 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 107.7 95.35 2.39 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -176.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.681 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 0.8 OUTLIER -114.57 152.63 31.46 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.886 0.374 . . . . 0.0 111.289 -173.257 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.7 t -120.21 138.43 50.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 171.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.0 p -79.42 134.38 27.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.12 0.486 . . . . 0.0 110.935 -177.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.595 ' HA3' HD12 ' A' ' 5' ' ' ILE . . . -64.33 118.6 13.19 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.932 176.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.488 ' O ' ' HB ' ' A' ' 36' ' ' ILE . 0.6 OUTLIER -90.0 0.75 8.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 120.685 0.279 . . . . 0.0 110.712 -176.846 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.488 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 64.1 mt 77.35 113.88 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.995 -177.01 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.19 20.7 54.49 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 -175.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.31 130.25 54.19 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.925 0.393 . . . . 0.0 111.327 -175.059 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.16 93.03 9.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.445 178.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.454 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 99.1 m -79.92 117.33 20.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.109 178.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.515 ' HA2' ' HA ' ' A' ' 2' ' ' ALA . . . -79.06 -28.02 54.87 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.663 -0.779 . . . . 0.0 111.199 177.194 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.446 ' HB1' ' O ' ' A' ' 20' ' ' CYS . . . -79.53 154.37 28.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.54 -0.33 . . . . 0.0 110.143 176.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.51 123.1 15.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.966 0.412 . . . . 0.0 111.341 -176.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.444 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 3.9 t -76.39 121.83 29.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.785 -178.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -116.56 154.5 30.34 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.272 178.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 10' ' ' CYS . 2.8 m -103.11 97.34 7.45 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.159 0.504 . . . . 0.0 110.089 176.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.566 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 48.1 m -107.2 155.98 19.33 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.436 -178.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -88.07 -33.56 18.26 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 174.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.494 ' CG ' ' H ' ' A' ' 50' ' ' ASP . 4.9 t70 56.7 -156.44 0.29 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-N 114.729 -1.123 . . . . 0.0 111.084 -179.153 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.494 ' H ' ' CG ' ' A' ' 49' ' ' ASP . 7.6 t0 -144.12 57.84 1.34 Allowed 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 176.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -58.13 123.2 9.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 114.858 -1.064 . . . . 0.0 111.707 -174.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.43 -32.17 11.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.488 178.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.426 ' HB3' ' H ' ' A' ' 54' ' ' THR . 46.8 t-20 -157.88 -96.29 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.095 178.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.426 ' H ' ' HB3' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -100.21 -35.34 9.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.086 0.47 . . . . 0.0 111.012 -179.906 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 104.27 -140.37 14.93 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.093 -178.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.432 ' ND2' ' H ' ' A' ' 57' ' ' SER . 6.6 t-20 -150.28 171.39 17.03 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -176.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.432 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -77.64 -13.66 59.85 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.092 0.472 . . . . 0.0 110.538 -178.561 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -147.92 95.88 2.56 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.993 175.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.2 mp -90.53 92.84 9.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.869 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.694 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 2.6 mp -79.65 80.92 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.555 0.693 . . . . 0.0 110.391 -179.522 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.535 HD13 ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -100.53 -167.48 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.732 178.63 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.85 165.93 21.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.207 179.586 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.5 23.81 0.39 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.846 -175.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.78 -27.71 40.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.827 -178.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.438 ' OD1' ' HB3' ' A' ' 47' ' ' CYS . 18.6 p30 -112.3 -7.96 13.96 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.154 0.502 . . . . 0.0 110.949 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.566 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 56.0 m -82.05 105.76 13.41 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.737 176.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -82.32 -15.28 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.311 0.577 . . . . 0.0 110.524 178.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.737 -0.649 . . . . 0.0 110.185 179.797 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.882 0 CA-C-O 121.023 0.44 . . . . 0.0 110.467 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.663 ' HA ' ' HA2' ' A' ' 41' ' ' GLY . . . -127.69 141.48 51.59 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.888 178.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.9 134.48 49.36 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.018 0.437 . . . . 0.0 111.037 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.432 HG23 ' HG2' ' A' ' 39' ' ' GLN . 0.2 OUTLIER -89.35 109.47 20.37 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.158 178.719 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.446 ' HB ' HG21 ' A' ' 9' ' ' THR . 1.0 OUTLIER -92.81 147.87 5.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.428 -179.541 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -116.91 -146.27 8.37 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.478 -177.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -80.78 -24.22 5.11 Favored 'Trans proline' 0 CA--C 1.529 0.236 0 C-N-CA 122.742 2.294 . . . . 0.0 112.997 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -126.13 43.84 2.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.121 0.486 . . . . 0.0 111.285 -175.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.451 ' HB ' ' HB3' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -79.65 2.62 21.85 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.134 0.492 . . . . 0.0 110.838 177.031 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.0 t -141.89 74.26 1.45 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.737 178.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.68 51.56 1.91 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.043 -179.251 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.7 mt -134.68 96.18 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.34 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 t70 57.38 -131.28 1.49 Allowed 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.147 175.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -109.74 55.16 0.64 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.626 0.726 . . . . 0.0 109.872 177.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -105.65 159.33 16.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.618 176.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.703 ' HE3' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -114.6 150.74 44.42 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-O 120.66 0.266 . . . . 0.0 110.823 -174.873 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.451 ' HB3' ' HB ' ' A' ' 9' ' ' THR . 5.8 Cg_exo -78.75 110.71 2.85 Favored 'Trans proline' 0 N--CA 1.455 -0.766 0 C-N-CA 122.715 2.277 . . . . 0.0 110.964 177.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.869 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 19.7 m-85 -113.65 137.49 51.53 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.607 -175.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 40' ' ' CYS . 4.0 m -103.96 86.46 2.59 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.341 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.772 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 3.9 m -96.16 135.33 38.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.986 -172.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -74.3 110.36 8.53 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 173.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -93.93 91.2 6.79 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.147 0.499 . . . . 0.0 110.207 -178.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.11 153.74 25.91 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.898 -178.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.7 m -87.25 141.78 28.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.691 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.23 -55.09 4.93 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.13 -178.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.8 132.74 34.8 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.986 0.422 . . . . 0.0 110.782 178.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -113.75 54.91 0.73 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.117 0.484 . . . . 0.0 110.525 -179.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.8 -22.62 18.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.399 -178.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.441 ' HB3' ' HB ' ' A' ' 61' ' ' ILE . 0.1 OUTLIER 53.07 69.49 0.69 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.0 0.429 . . . . 0.0 110.876 -177.655 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -74.53 94.84 0.86 Allowed Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.869 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 4.2 t -108.58 150.13 27.92 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -168.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.4 t -118.46 147.17 22.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.956 172.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.8 t -71.27 125.9 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.638 0.256 . . . . 0.0 111.033 -178.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -92.2 125.3 8.04 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.861 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -103.69 171.31 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.228 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.9 mp -63.34 109.02 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.827 0.346 . . . . 0.0 110.906 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.5 43.01 3.27 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.485 178.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.2 m -110.79 131.79 54.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.859 0.361 . . . . 0.0 110.877 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.432 ' HG2' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -97.42 71.33 2.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.026 -0.533 . . . . 0.0 109.761 179.47 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 30.0 m -71.16 120.52 16.85 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.009 -176.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.663 ' HA2' ' HA ' ' A' ' 2' ' ' ALA . . . -86.58 52.08 4.42 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.154 178.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -153.67 -160.59 1.13 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 -179.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.76 126.19 34.43 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.871 0.367 . . . . 0.0 110.707 179.195 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.2 t -79.67 118.28 26.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.507 ' HZ1' ' HG3' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -119.38 151.93 37.67 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.23 0.538 . . . . 0.0 111.498 -174.5 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -108.52 98.04 7.62 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.325 175.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 50.5 m -133.79 163.15 30.13 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.079 0.466 . . . . 0.0 111.382 -175.031 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.703 ' HG2' ' HE3' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -114.87 -50.31 2.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.319 172.73 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.3 t70 50.5 -138.88 0.96 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.637 -175.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -135.88 100.65 4.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.893 0.378 . . . . 0.0 110.391 177.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.476 ' H ' HG22 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -70.65 97.5 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.34 -179.441 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.26 -67.4 0.76 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.374 179.165 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -101.11 139.34 36.93 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 175.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.29 -9.41 59.22 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.268 0.556 . . . . 0.0 110.278 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -117.53 60.38 0.46 Allowed Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 174.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.634 HD21 ' HG ' ' A' ' 59' ' ' LEU . 3.5 t30 -105.7 111.12 23.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.894 0.378 . . . . 0.0 110.648 -178.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.33 -9.25 59.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.638 -177.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -152.94 107.44 3.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.876 0.37 . . . . 0.0 110.808 177.278 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.634 ' HG ' HD21 ' A' ' 56' ' ' ASN . 0.5 OUTLIER -106.38 125.04 50.51 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.057 178.762 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 60' ' ' ILE . 22.5 mm -81.96 109.87 16.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 171.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.49 HG22 ' N ' ' A' ' 62' ' ' ASN . 55.2 mt -99.84 138.34 24.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.229 0.537 . . . . 0.0 111.711 -171.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.49 ' N ' HG22 ' A' ' 61' ' ' ILE . 55.9 t-20 -79.49 126.0 30.29 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.37 173.402 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.44 -22.35 61.35 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -175.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.05 -13.61 59.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.445 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -98.4 18.19 17.09 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.404 0.621 . . . . 0.0 110.512 -177.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 97.3 m -114.5 161.25 18.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.066 175.109 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.2 t -79.37 -46.83 22.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.35 0.595 . . . . 0.0 109.703 175.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.948 0 CA-C-O 117.837 -1.078 . . . . 0.0 108.988 178.786 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.989 0 CA-C-O 120.646 0.26 . . . . 0.0 110.567 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -160.27 160.73 32.93 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.764 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.79 118.67 21.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.031 0.443 . . . . 0.0 110.525 177.198 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.1 93.3 7.74 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.833 -179.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.657 HD13 ' HA3' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -79.01 134.4 27.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.894 -174.763 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.451 ' N ' HG13 ' A' ' 5' ' ' ILE . . . -129.4 -160.26 10.15 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.403 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -82.56 5.65 6.26 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.744 2.296 . . . . 0.0 112.88 -177.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -143.15 30.68 1.41 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.758 0.313 . . . . 0.0 111.475 -176.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.2 m -79.47 -22.84 43.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.029 0.442 . . . . 0.0 110.744 176.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.511 ' HB2' ' HG3' ' A' ' 17' ' ' PRO . 1.2 m -122.38 -96.39 0.47 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.96 177.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 m 60.3 28.67 18.29 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 174.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.6 mt -70.57 -33.68 54.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.194 0.521 . . . . 0.0 109.724 176.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.466 ' C ' ' H ' ' A' ' 15' ' ' TYR . 23.5 t70 177.2 -124.96 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 114.986 -1.006 . . . . 0.0 108.624 178.155 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -80.64 20.95 0.69 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.788 0.804 . . . . 0.0 109.724 173.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.849 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . 86.2 m-85 -91.8 102.0 14.6 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.698 177.234 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.51 ' H ' ' HG2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -79.42 151.24 74.69 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.843 -178.854 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.511 ' HG3' ' HB2' ' A' ' 10' ' ' CYS . 5.8 Cg_exo -79.11 117.15 3.79 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 123.11 2.54 . . . . 0.0 112.048 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.469 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 47.4 m-85 -125.76 135.34 51.94 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.932 -178.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.2 93.01 8.56 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.644 177.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.69 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -81.97 109.94 16.78 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.296 0.569 . . . . 0.0 111.883 -173.324 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -81.68 112.1 18.56 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.812 172.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.2 m -79.37 104.58 10.08 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.14 142.53 31.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.094 -174.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.13 127.32 45.07 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.783 178.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.35 -57.36 3.9 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.251 -175.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.78 108.67 9.97 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 175.183 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.13 68.8 5.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.122 0.487 . . . . 0.0 110.891 -177.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 m -147.35 150.83 35.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.375 178.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 67.2 mt -96.74 112.03 23.95 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.33 -179.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.442 ' HA2' ' HE2' ' A' ' 58' ' ' PHE . . . -84.06 68.98 3.43 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 178.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.69 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -86.02 83.28 7.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.367 0.603 . . . . 0.0 110.42 -174.214 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.405 HG13 ' CB ' ' A' ' 58' ' ' PHE . 1.6 t -68.37 132.63 32.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.256 178.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.421 ' HA ' ' CD1' ' A' ' 18' ' ' TYR . 7.3 p -59.71 130.19 23.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-O 121.096 0.474 . . . . 0.0 110.672 -177.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.657 ' HA3' HD13 ' A' ' 5' ' ' ILE . . . -73.38 120.6 7.13 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.485 -177.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.464 ' H ' HG22 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -90.1 124.51 42.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 177.778 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.4 mt -62.63 123.62 15.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.205 -178.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.73 39.19 7.2 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.145 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.91 159.18 42.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.909 0.385 . . . . 0.0 111.117 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -92.07 93.06 8.55 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 177.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.73 -64.02 1.09 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.411 -177.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.03 -45.16 1.71 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.953 -0.642 . . . . 0.0 111.97 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.52 -179.88 7.57 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.945 0.402 . . . . 0.0 111.086 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.18 98.91 4.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.148 -179.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.7 t -75.27 113.22 13.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.106 176.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.602 ' HD2' ' HB3' ' A' ' 66' ' ' CYS . 0.3 OUTLIER -125.55 173.46 8.93 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.038 179.777 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.849 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 35.8 m -99.96 132.93 45.02 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.982 0.42 . . . . 0.0 110.64 -178.112 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 36.3 m -129.63 139.21 51.49 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.547 178.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.78 48.12 1.59 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.627 0.727 . . . . 0.0 109.271 174.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -82.68 119.88 24.87 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 175.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.67 70.54 7.79 Favored 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 120.51 -0.476 . . . . 0.0 109.772 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 p -51.27 102.14 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 114.777 -1.101 . . . . 0.0 111.824 -177.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.29 -35.31 5.02 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.113 -0.949 . . . . 0.0 108.655 173.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -106.21 115.37 30.11 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 114.835 -1.075 . . . . 0.0 108.537 174.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.55 140.74 38.49 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.847 0.356 . . . . 0.0 111.101 -175.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -66.75 160.91 47.16 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.694 177.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -78.75 -58.61 3.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.697 0.284 . . . . 0.0 110.36 -176.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.76 -43.41 8.63 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.351 0.596 . . . . 0.0 109.873 174.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.442 ' HE2' ' HA2' ' A' ' 30' ' ' GLY . 23.3 p90 -160.17 -174.45 4.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.303 177.032 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.424 HD13 ' HE1' ' A' ' 18' ' ' TYR . 0.2 OUTLIER -101.12 130.92 47.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.139 0.495 . . . . 0.0 111.476 -175.91 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.8 mp -123.94 99.71 6.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.284 175.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -102.45 -164.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.105 -175.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -99.39 161.13 13.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.077 -179.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.34 9.24 4.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.121 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.95 -28.8 13.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.285 176.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -77.34 -48.6 16.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.81 177.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.602 ' HB3' ' HD2' ' A' ' 45' ' ' LYS . 96.1 m -78.98 133.27 36.86 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.739 177.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -101.66 -114.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.57 -0.287 . . . . 0.0 110.696 178.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.51 -0.757 . . . . 0.0 111.372 -175.797 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.477 0.901 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.18 128.02 38.97 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 177.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.29 -39.28 33.29 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -174.306 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.5 m 56.54 72.39 0.51 Allowed 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.31 0.576 . . . . 0.0 110.356 -174.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.426 HD12 ' O ' ' A' ' 35' ' ' VAL . 1.8 pt -87.59 167.61 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.512 -175.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -88.96 -173.93 46.65 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 110.576 -1.01 . . . . 0.0 110.576 171.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -78.15 9.45 3.07 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.205 1.937 . . . . 0.0 113.017 -175.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -169.93 84.98 0.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.708 178.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.4 -38.45 34.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.78 0.324 . . . . 0.0 111.527 179.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.4 m -119.62 122.13 40.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.245 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.07 40.59 1.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.087 0.47 . . . . 0.0 110.413 -178.495 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.5 mp -66.64 -52.48 45.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.555 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -157.93 -108.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.157 -178.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.4 -14.09 50.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.384 0.611 . . . . 0.0 109.822 176.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -79.85 114.32 18.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.987 -177.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.719 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 26.3 mmtm -100.88 176.76 1.75 Allowed Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.666 -179.046 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.719 ' HD2' ' HB3' ' A' ' 16' ' ' LYS . 60.8 Cg_endo -76.62 121.2 5.85 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 121.496 1.464 . . . . 0.0 111.868 178.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.764 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 2.6 m-85 -121.16 110.2 15.91 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.693 -176.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 67.3 m -79.9 97.33 6.67 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 175.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.631 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 4.3 m -94.01 113.68 25.71 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.941 -170.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.3 105.32 16.58 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 172.319 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.83 124.41 27.95 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.629 -176.079 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 20.3 mmt -79.62 95.97 6.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.962 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.61 113.63 1.7 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.357 -177.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.11 -57.0 0.53 Allowed Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.916 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.28 -19.5 31.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.432 0.158 . . . . 0.0 111.38 -177.066 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 67.67 21.71 9.24 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.99 177.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.21 139.64 30.87 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 175.389 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.609 ' HB3' HG13 ' A' ' 61' ' ' ILE . 1.8 tp -96.76 98.19 9.94 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.919 0.39 . . . . 0.0 110.756 -178.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.54 75.65 2.35 Favored Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 110.603 -0.999 . . . . 0.0 110.603 177.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.764 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 0.3 OUTLIER -86.98 149.2 24.94 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.305 0.574 . . . . 0.0 112.034 -171.558 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.9 t -122.37 131.39 73.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.113 172.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.1 t -63.52 123.22 15.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.737 0.304 . . . . 0.0 110.303 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.49 134.38 19.23 Favored Glycine 0 N--CA 1.442 -0.929 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.891 -178.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.426 ' O ' HD12 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -133.99 -144.85 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 120.843 0.354 . . . . 0.0 110.309 -179.492 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.414 ' H ' ' HB ' ' A' ' 35' ' ' VAL . 1.3 mp -78.51 115.94 21.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 120.816 0.341 . . . . 0.0 111.623 -175.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.57 24.96 76.14 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.9 -0.591 . . . . 0.0 113.192 174.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.2 m -69.17 112.44 5.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.267 0.556 . . . . 0.0 111.044 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.98 58.41 1.58 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.042 178.319 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.34 128.79 37.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.795 -178.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.58 53.19 3.4 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.902 178.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -160.57 -174.32 4.4 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 -177.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.78 136.78 36.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.815 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.5 t -101.41 126.11 55.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.798 0.332 . . . . 0.0 110.382 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -120.79 -177.09 3.39 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.699 179.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.508 ' HA ' ' O ' ' A' ' 16' ' ' LYS . 3.2 m -123.0 99.84 6.58 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.881 0.372 . . . . 0.0 110.067 178.368 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.63 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 0.3 OUTLIER -128.44 173.08 10.53 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.597 -175.669 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -124.49 -72.96 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 178.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.458 ' CG ' ' HB2' ' A' ' 65' ' ' ASN . 5.6 m-20 57.56 -134.13 1.18 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.51 -1.223 . . . . 0.0 111.984 170.29 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.504 ' CG ' ' HB3' ' A' ' 53' ' ' ASN . 0.2 OUTLIER -90.01 32.05 0.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.778 -171.724 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.425 ' HB ' ' OH ' ' A' ' 18' ' ' TYR . 9.4 p -63.59 -36.43 76.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-O 120.937 0.399 . . . . 0.0 111.315 -178.389 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.5 23.65 11.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.981 0.419 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.504 ' HB3' ' CG ' ' A' ' 50' ' ' ASP . 40.1 t30 -132.06 -98.81 0.3 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.359 -175.362 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.465 ' H ' ' HB3' ' A' ' 53' ' ' ASN . 0.2 OUTLIER -111.09 44.95 1.22 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.969 0.414 . . . . 0.0 111.395 -176.39 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -150.45 141.5 8.79 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.331 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -157.48 -50.87 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.867 0.365 . . . . 0.0 110.388 176.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.23 -38.1 11.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.136 0.493 . . . . 0.0 110.16 178.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.15 126.11 22.65 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.633 -177.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -113.71 89.86 3.2 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.195 -178.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.6 mp -79.62 81.07 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 176.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.609 HG13 ' HB3' ' A' ' 29' ' ' LEU . 6.6 pt -95.7 172.59 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.703 -170.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -107.76 3.15 24.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.667 177.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 61.32 21.79 12.26 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.946 -174.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.57 -23.65 45.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.159 0.504 . . . . 0.0 110.321 -176.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.458 ' HB2' ' CG ' ' A' ' 49' ' ' ASP . 12.5 m-80 -109.63 16.3 22.25 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.667 177.409 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.63 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 4.2 t -95.0 136.2 35.6 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.129 177.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.1 p -96.12 -10.18 9.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.047 0.451 . . . . 0.0 111.23 -176.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.931 0 CA-C-O 119.038 -0.505 . . . . 0.0 110.075 -178.044 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.474 0.752 0 CA-C-O 120.529 0.204 . . . . 0.0 110.469 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.423 ' HA ' ' HA2' ' A' ' 41' ' ' GLY . . . -92.51 113.4 25.67 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.921 0.391 . . . . 0.0 110.67 179.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.7 m -78.59 -31.6 47.27 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.494 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.706 ' HA ' ' H ' ' A' ' 40' ' ' CYS . 2.0 m 70.22 169.08 0.31 Allowed 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.537 -178.407 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.679 ' H ' HG21 ' A' ' 4' ' ' THR . 16.1 pt -121.65 140.47 45.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.065 -178.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.82 -160.04 19.64 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.351 177.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.14 -17.86 13.15 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.339 2.026 . . . . 0.0 112.637 -176.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -143.45 78.02 1.58 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.958 0.409 . . . . 0.0 110.313 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.427 ' HG1' ' HB ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -94.67 -94.28 0.18 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.408 176.383 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.33 83.41 5.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.026 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.3 m -123.78 79.07 1.67 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.162 0.506 . . . . 0.0 110.338 -178.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -101.06 -163.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.505 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.78 -60.24 3.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.572 -177.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -139.55 25.4 2.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.527 0.68 . . . . 0.0 111.07 179.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -109.96 126.9 54.4 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.692 178.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -107.07 157.66 34.84 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.81 -173.277 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -79.12 107.47 2.22 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 122.854 2.369 . . . . 0.0 111.614 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -113.13 130.16 56.28 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.586 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 68.5 m -79.92 74.21 6.67 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 176.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 67.5 m -79.99 114.86 19.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.387 -176.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -78.65 135.67 37.27 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 173.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.72 105.76 11.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.063 0.459 . . . . 0.0 110.716 -177.187 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.81 129.64 34.65 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.039 -179.475 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.87 -38.36 37.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.537 -176.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.6 41.94 2.05 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.408 -178.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.0 m -151.53 144.38 24.44 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 122.661 -0.317 . . . . 0.0 110.192 177.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.12 -21.68 33.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.96 0.409 . . . . 0.0 110.581 178.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.38 171.36 9.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.63 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 mt -116.8 148.15 41.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.816 0.341 . . . . 0.0 110.974 -178.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -107.16 102.75 1.88 Allowed Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 110.631 -0.988 . . . . 0.0 110.631 176.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.607 ' SG ' HD13 ' A' ' 61' ' ' ILE . 1.8 m -122.75 145.99 47.91 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.17 0.51 . . . . 0.0 112.021 -171.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.7 t -104.63 147.23 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 170.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.2 t -66.91 121.11 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.79 0.329 . . . . 0.0 110.379 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -78.3 131.54 10.97 Favored Glycine 0 N--CA 1.442 -0.939 0 CA-C-N 115.873 -0.603 . . . . 0.0 113.034 -177.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.48 -175.09 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 176.007 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.414 ' H ' HG13 ' A' ' 36' ' ' ILE . 3.6 mt -69.72 86.67 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.054 0.454 . . . . 0.0 110.447 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.37 40.07 3.31 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.881 179.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 p -83.34 -2.62 56.18 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 122.641 -0.329 . . . . 0.0 111.081 177.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.462 ' HA ' HG23 ' A' ' 4' ' ' THR . 0.8 OUTLIER 62.42 95.71 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.047 -176.197 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.706 ' H ' ' HA ' ' A' ' 4' ' ' THR . 0.1 OUTLIER -105.06 91.38 3.78 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.371 -178.698 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.423 ' HA2' ' HA ' ' A' ' 2' ' ' ALA . . . -100.21 60.76 0.69 Allowed Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 174.229 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -147.92 -158.43 0.91 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.527 0.203 . . . . 0.0 110.774 -175.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.14 -24.29 35.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.132 -179.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.7 t 62.24 102.29 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-O 121.068 0.461 . . . . 0.0 110.548 -176.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.612 ' HE3' ' SG ' ' A' ' 66' ' ' CYS . 27.1 mtpp -123.75 157.01 34.98 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.82 0.343 . . . . 0.0 110.937 -175.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.86 81.52 1.5 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.383 0.611 . . . . 0.0 109.863 -178.447 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.6 m -99.95 143.82 29.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.949 -176.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.37 64.34 3.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.031 0.443 . . . . 0.0 110.058 177.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -93.11 178.18 5.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.511 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -94.79 125.77 39.67 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.119 0.485 . . . . 0.0 111.76 -172.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.9 p -87.94 -10.14 10.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.646 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.33 -6.51 56.9 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.54 178.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -78.64 -68.76 0.62 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.981 179.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.71 -81.14 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.781 0.324 . . . . 0.0 111.166 177.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.404 ' H ' ' HG ' ' A' ' 59' ' ' LEU . . . 70.05 26.77 73.86 Favored Glycine 0 N--CA 1.451 -0.35 0 N-CA-C 111.362 -0.695 . . . . 0.0 111.362 -176.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.414 ' HB3' ' H ' ' A' ' 57' ' ' SER . 20.9 t30 -101.01 -98.59 0.26 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.721 -0.24 . . . . 0.0 110.901 -174.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.414 ' H ' ' HB3' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -79.76 -40.6 28.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.1 0.476 . . . . 0.0 110.782 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -150.41 154.9 38.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.327 -178.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.425 ' HA ' HD23 ' A' ' 59' ' ' LEU . 1.5 mt -139.06 114.72 9.91 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.973 175.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.8 mp -81.42 105.41 11.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 175.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.607 HD13 ' SG ' ' A' ' 31' ' ' CYS . 11.9 mt -86.78 136.43 22.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.117 -174.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.591 ' HB3' ' OD1' ' A' ' 65' ' ' ASN . 53.5 t30 -80.34 136.08 36.32 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.203 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.83 -5.0 35.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.984 -175.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.89 -44.9 19.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.797 0.332 . . . . 0.0 110.937 179.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.591 ' OD1' ' HB3' ' A' ' 62' ' ' ASN . 1.8 p-10 -93.57 -9.97 36.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.946 0.403 . . . . 0.0 111.461 -176.373 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.612 ' SG ' ' HE3' ' A' ' 45' ' ' LYS . 38.4 t -89.07 106.07 18.2 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 172.192 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -79.81 -47.34 21.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.578 -175.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.46 -0.781 . . . . 0.0 110.198 -179.893 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 21.0 m . . . . . 0 N--CA 1.475 0.817 0 CA-C-O 120.606 0.241 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.447 ' HA ' ' HA2' ' A' ' 41' ' ' GLY . . . -81.1 115.45 20.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.99 0.424 . . . . 0.0 110.956 -176.542 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.29 135.92 53.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.557 178.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.05 119.56 31.86 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.367 -0.235 . . . . 0.0 110.367 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.4 pt -99.51 162.66 2.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.863 0.363 . . . . 0.0 111.204 -178.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.26 -156.56 29.73 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.958 -175.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.48 ' HA ' ' CG1' ' A' ' 36' ' ' ILE . 70.4 Cg_endo -78.4 -29.27 3.96 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.571 2.181 . . . . 0.0 112.392 -179.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -146.02 85.48 1.68 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.651 0.739 . . . . 0.0 110.039 178.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.33 -29.71 47.78 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.638 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -136.05 -93.36 0.26 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.724 176.212 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m 59.48 52.61 5.66 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 123.374 0.421 . . . . 0.0 111.457 176.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.5 mp -62.79 -65.92 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-O 121.199 0.523 . . . . 0.0 109.746 176.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -117.73 -74.71 0.6 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 170.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.769 ' HB3' ' HG3' ' A' ' 48' ' ' LYS . 5.8 t0 -127.73 23.62 6.21 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.765 0.793 . . . . 0.0 108.869 169.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.53 ' HD1' ' HB2' ' A' ' 48' ' ' LYS . 2.6 m-30 -80.48 86.98 5.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.89 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.474 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 3.4 mttm -78.24 161.9 68.64 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.449 -177.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -78.93 85.97 1.77 Allowed 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 122.763 2.309 . . . . 0.0 111.197 176.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.954 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 26.8 m-85 -84.37 140.45 31.56 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.913 -178.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.37 96.56 10.04 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 174.402 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.448 ' SG ' ' HB3' ' A' ' 29' ' ' LEU . 1.2 m -98.9 119.4 37.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.232 0.539 . . . . 0.0 112.089 -172.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.45 109.42 3.68 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 171.142 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 m -80.3 102.02 9.28 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.878 -178.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.421 ' HB2' ' O ' ' A' ' 26' ' ' SER . 7.5 mtt -79.19 127.62 32.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.053 -175.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.2 -24.25 37.59 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.151 -177.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -117.23 18.01 12.37 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.787 -177.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.421 ' O ' ' HB2' ' A' ' 23' ' ' MET . 57.1 m -157.35 141.18 15.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.723 0.297 . . . . 0.0 110.313 178.455 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.08 53.81 1.81 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.2 0.524 . . . . 0.0 110.632 178.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.28 128.97 46.85 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.014 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.452 ' O ' ' HA ' ' A' ' 60' ' ' ILE . 74.9 mt -87.94 89.23 7.91 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.793 0.33 . . . . 0.0 111.245 -178.029 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -73.14 96.42 0.79 Allowed Glycine 0 CA--C 1.51 -0.268 0 N-CA-C 110.434 -1.066 . . . . 0.0 110.434 174.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.954 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 0.1 OUTLIER -120.87 150.94 40.28 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.482 0.658 . . . . 0.0 112.476 -166.427 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -127.82 142.98 42.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.093 -0.958 . . . . 0.0 108.785 170.023 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.8 p -69.15 126.85 30.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.1 0.476 . . . . 0.0 111.197 -176.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -104.74 133.53 11.59 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.645 177.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -127.8 -169.37 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.911 0.386 . . . . 0.0 111.301 -177.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.48 ' CG1' ' HA ' ' A' ' 7' ' ' PRO . 0.7 OUTLIER -56.65 116.02 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.865 -177.045 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.05 1.46 61.3 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.047 -0.596 . . . . 0.0 113.211 175.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 m -81.58 127.32 32.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 117.056 0.428 . . . . 0.0 110.652 -179.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -88.3 94.72 9.93 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 176.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.11 107.2 5.32 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.837 -177.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.447 ' HA2' ' HA ' ' A' ' 2' ' ' ALA . . . -86.69 -4.89 82.3 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.992 -0.623 . . . . 0.0 111.909 177.046 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -111.65 175.73 5.31 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 177.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.37 116.94 11.3 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.042 0.449 . . . . 0.0 110.737 -179.401 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.4 t -70.96 122.64 23.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.519 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.402 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -129.78 134.35 47.53 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.97 179.78 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 16' ' ' LYS . 5.0 m -88.53 85.48 6.84 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.106 0.479 . . . . 0.0 110.687 -179.142 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' A' ' 45' ' ' LYS . 1.4 m -118.43 166.98 12.01 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.275 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.769 ' HG3' ' HB3' ' A' ' 14' ' ' ASP . 0.9 OUTLIER -124.67 -34.0 2.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.694 0.283 . . . . 0.0 110.394 177.769 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.543 ' HB2' HG21 ' A' ' 61' ' ' ILE . 6.1 t70 56.65 -141.38 0.81 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -169.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -134.09 24.66 3.89 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 173.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.5 t 45.15 61.91 0.21 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.734 -175.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.05 125.92 30.06 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.224 178.412 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -78.91 54.51 1.58 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.613 0.72 . . . . 0.0 111.657 -172.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.78 16.38 11.85 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.203 173.101 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.762 ' HA3' ' HG ' ' A' ' 59' ' ' LEU . . . -136.33 122.98 2.79 Favored Glycine 0 N--CA 1.443 -0.848 0 CA-C-N 115.23 -0.896 . . . . 0.0 112.057 -178.247 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -110.61 -48.89 3.1 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.199 0.523 . . . . 0.0 109.921 176.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -118.11 -9.36 10.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.772 177.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -146.28 119.23 8.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.09 178.271 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.762 ' HG ' ' HA3' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -116.35 120.21 38.14 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.103 179.747 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.452 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 3.0 mp -86.98 110.68 20.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.892 -0.411 . . . . 0.0 109.892 178.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.543 HG21 ' HB2' ' A' ' 49' ' ' ASP . 1.6 mm -82.68 145.48 8.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.661 -178.632 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -75.97 140.87 42.26 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.8 173.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.54 -35.41 74.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 111.811 -176.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.67 -5.81 55.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.468 -177.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -104.73 27.04 8.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.525 0.679 . . . . 0.0 110.942 -176.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.5 t -136.89 171.07 15.06 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.218 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.508 HG11 ' HE2' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -78.79 -62.06 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.842 0.354 . . . . 0.0 111.129 -178.325 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.931 -0.556 . . . . 0.0 109.991 -179.088 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.476 0.851 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.425 ' HB2' ' HA2' ' A' ' 41' ' ' GLY . . . -78.96 115.03 18.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.978 0.418 . . . . 0.0 110.868 -179.292 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.02 133.09 49.55 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.247 178.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.449 HG21 ' HG3' ' A' ' 39' ' ' GLN . 0.1 OUTLIER -84.91 137.32 33.19 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.339 179.162 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.47 ' H ' HG13 ' A' ' 5' ' ' ILE . 0.6 OUTLIER -97.8 109.51 23.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 177.68 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.425 ' HA3' ' HD3' ' A' ' 7' ' ' PRO . . . -88.39 -117.5 1.4 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.162 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.425 ' HD3' ' HA3' ' A' ' 6' ' ' GLY . 5.5 Cg_exo -78.66 72.73 6.26 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 123.06 2.507 . . . . 0.0 111.997 -177.329 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 61.83 103.93 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.897 0.748 . . . . 0.0 111.525 178.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.7 m -110.24 61.46 0.6 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.058 0.456 . . . . 0.0 110.667 178.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.481 ' SG ' ' HA ' ' A' ' 17' ' ' PRO . 0.9 OUTLIER -160.57 99.92 1.3 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.255 -179.308 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 m -119.63 100.54 7.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.782 178.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.678 HD11 ' HB2' ' A' ' 46' ' ' CYS . 51.4 mt -142.72 -55.72 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.43 176.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.484 ' CG ' ' H ' ' A' ' 14' ' ' ASP . 29.6 t70 -177.35 -132.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 -179.236 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.484 ' H ' ' CG ' ' A' ' 13' ' ' ASP . 23.5 t0 -79.95 66.46 5.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.65 0.738 . . . . 0.0 109.175 173.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -132.56 135.94 46.27 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.295 -178.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 0.0 OUTLIER -100.55 154.87 36.94 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.692 -175.475 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.481 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 58.5 Cg_endo -76.9 98.4 1.22 Allowed 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.286 1.991 . . . . 0.0 111.64 177.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 1.076 ' HB3' ' HB3' ' A' ' 31' ' ' CYS . 59.5 m-85 -105.22 137.26 43.29 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.82 -177.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -86.28 89.11 7.75 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 172.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 90.9 m -89.09 115.38 26.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.335 -171.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -111.44 144.83 40.01 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 171.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.21 113.34 16.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.079 0.466 . . . . 0.0 110.833 -175.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.6 mmt -82.19 121.23 26.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.638 -176.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 m -81.64 80.71 7.91 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.677 -175.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.41 -25.05 27.72 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.928 175.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.47 -40.06 77.31 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.283 0.563 . . . . 0.0 110.553 179.333 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.412 ' HB3' ' H ' ' A' ' 28' ' ' SER . . . -168.46 -153.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.255 -0.884 . . . . 0.0 108.797 -179.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.412 ' H ' ' HB3' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -96.49 -71.64 0.67 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.957 0.408 . . . . 0.0 110.177 174.676 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.481 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 37.0 mt -124.52 124.9 43.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.17 0.509 . . . . 0.0 110.915 -178.405 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.619 ' HA3' ' HE2' ' A' ' 58' ' ' PHE . . . -87.65 76.03 2.05 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 175.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 1.076 ' HB3' ' HB3' ' A' ' 18' ' ' TYR . 36.8 m -88.52 102.03 14.52 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.958 0.409 . . . . 0.0 111.609 -173.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.801 HG11 ' HB2' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -82.69 138.27 19.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 174.864 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.1 p -64.61 116.09 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.251 0.548 . . . . 0.0 109.893 178.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.41 ' CA ' HD12 ' A' ' 5' ' ' ILE . . . -67.73 -43.33 84.92 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.715 -0.675 . . . . 0.0 113.127 -173.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.595 HG12 HG12 ' A' ' 36' ' ' ILE . 2.2 t 56.87 -112.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 -173.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.595 HG12 HG12 ' A' ' 35' ' ' VAL . 1.5 mm -134.19 131.1 55.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.594 0.235 . . . . 0.0 110.902 -178.407 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.2 -33.63 6.3 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.724 -0.75 . . . . 0.0 113.925 169.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m -56.81 137.86 54.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.221 0.534 . . . . 0.0 112.217 -177.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.449 ' HG3' HG21 ' A' ' 4' ' ' THR . 0.0 OUTLIER -88.7 110.95 21.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.368 178.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.85 90.74 7.41 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.058 0.456 . . . . 0.0 110.413 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.425 ' HA2' ' HB2' ' A' ' 2' ' ' ALA . . . -79.17 0.15 80.67 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.964 177.262 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -120.81 -163.5 1.03 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.96 108.25 6.66 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.913 0.387 . . . . 0.0 111.2 -178.472 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.4 t -71.72 112.19 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 174.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt -129.66 145.73 51.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.189 0.519 . . . . 0.0 111.336 -175.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.678 ' HB2' HD11 ' A' ' 12' ' ' ILE . 13.3 m -97.5 75.61 2.5 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.622 176.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.507 ' HB3' ' HB2' ' A' ' 66' ' ' CYS . 58.2 m -88.77 168.86 12.13 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.617 -175.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.37 130.67 53.35 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.448 174.406 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -174.55 -38.06 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 178.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.404 ' HB3' ' H ' ' A' ' 51' ' ' VAL . 4.7 t0 71.6 -81.17 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 114.19 -1.368 . . . . 0.0 111.46 174.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.404 ' H ' ' HB3' ' A' ' 50' ' ' ASP . 47.0 t -134.7 120.34 31.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.407 ' HB ' ' H ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -79.34 -90.5 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 177.009 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.407 ' H ' ' HB ' ' A' ' 52' ' ' THR . 5.8 t-20 -161.46 -73.6 0.06 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.909 0.385 . . . . 0.0 110.399 176.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.67 121.75 25.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.608 -177.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -108.12 88.89 0.55 Allowed Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 175.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -78.77 -77.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.624 0.25 . . . . 0.0 110.794 -174.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.25 -13.69 7.63 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.033 0.444 . . . . 0.0 110.239 176.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.801 ' HB2' HG11 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -160.23 -179.33 7.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.828 -179.373 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.509 HD21 HD11 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -98.58 141.39 31.48 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.843 0.354 . . . . 0.0 110.535 -179.525 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -115.58 133.54 61.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.823 177.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.509 HD11 HD21 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -127.67 142.97 42.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.484 -173.905 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -79.6 130.78 35.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.46 44.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.052 0.453 . . . . 0.0 111.844 -177.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -126.33 -57.14 1.4 Allowed 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 174.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.26 -24.96 64.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.825 -1.079 . . . . 0.0 109.807 172.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.507 ' HB2' ' HB3' ' A' ' 47' ' ' CYS . 1.4 t -78.67 133.23 37.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.452 170.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.403 ' HB ' ' H ' ' A' ' 68' ' ' ALA . 14.6 m -82.8 -156.4 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.34 -176.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.403 ' H ' ' HB ' ' A' ' 67' ' ' VAL . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.431 -0.795 . . . . 0.0 110.972 -175.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.474 0.737 0 CA-C-O 120.884 0.373 . . . . 0.0 110.497 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.448 ' HA ' ' O ' ' A' ' 40' ' ' CYS . . . -79.69 111.54 16.09 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.36 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.64 127.14 50.51 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.931 0.396 . . . . 0.0 111.061 -179.347 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.76 ' HA ' ' HA ' ' A' ' 39' ' ' GLN . 0.2 OUTLIER -86.36 100.66 12.46 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.714 -178.278 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.573 ' HB ' ' HG1' ' A' ' 9' ' ' THR . 0.6 OUTLIER -77.44 155.56 5.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 CA-C-O 121.003 0.43 . . . . 0.0 110.879 -178.617 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.453 ' HA2' ' HA ' ' A' ' 36' ' ' ILE . . . -128.66 -121.41 2.37 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.717 -178.028 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.419 ' HD3' ' HA3' ' A' ' 6' ' ' GLY . 6.1 Cg_exo -79.36 81.84 2.67 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 123.249 2.633 . . . . 0.0 113.066 -175.71 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.785 ' HA ' ' HG3' ' A' ' 17' ' ' PRO . 1.6 t30 64.93 83.1 0.17 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.27 0.557 . . . . 0.0 111.124 173.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.573 ' HG1' ' HB ' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -78.78 -5.91 54.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.974 -176.084 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 96.7 m -113.07 120.41 41.24 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.716 0.293 . . . . 0.0 110.228 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -116.74 57.06 0.78 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.245 0.545 . . . . 0.0 110.44 -179.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.1 mt -120.91 79.83 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.3 t70 64.79 -86.08 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.796 173.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -128.82 4.14 5.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.289 0.566 . . . . 0.0 110.799 -176.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -79.82 122.25 26.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.908 0.385 . . . . 0.0 110.8 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -92.39 157.02 41.05 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.756 -175.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.785 ' HG3' ' HA ' ' A' ' 8' ' ' ASN . 72.3 Cg_endo -79.42 117.95 3.84 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.616 2.211 . . . . 0.0 111.651 175.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.856 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 11.6 m-85 -125.45 140.54 52.69 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 120.943 0.402 . . . . 0.0 110.904 -175.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.3 t -96.75 78.96 2.93 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.628 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.625 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 2.8 m -101.86 144.49 30.45 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.142 0.496 . . . . 0.0 111.839 -173.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -101.72 127.24 48.58 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 172.43 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.599 ' HA ' HD23 ' A' ' 29' ' ' LEU . 0.8 OUTLIER -77.66 114.84 16.91 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.107 0.479 . . . . 0.0 110.668 -175.017 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.97 109.84 13.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.615 -179.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.92 109.82 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.349 -0.841 . . . . 0.0 112.003 -173.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.57 -2.36 31.42 Favored Glycine 0 N--CA 1.452 -0.278 0 CA-C-N 115.831 -0.622 . . . . 0.0 113.603 175.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.57 -13.87 24.05 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 117.008 0.404 . . . . 0.0 111.296 -175.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 71.49 -62.43 0.46 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.324 0.65 . . . . 0.0 112.186 176.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -64.35 112.37 3.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.059 0.457 . . . . 0.0 110.651 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.599 HD23 ' HA ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -95.25 140.53 30.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.053 -174.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.426 ' O ' ' HG2' ' A' ' 21' ' ' GLN . . . -86.29 117.71 4.69 Favored Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 110.119 -1.193 . . . . 0.0 110.119 173.638 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.856 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 10.8 t -124.92 144.98 50.05 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -170.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.7 t -105.59 133.37 50.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 171.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 36.7 t -61.32 115.88 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.62 115.69 6.07 Favored Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.124 -178.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.1 m -122.07 -177.03 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 120.686 0.279 . . . . 0.0 110.305 178.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.453 ' HA ' ' HA2' ' A' ' 6' ' ' GLY . 1.1 mp -66.24 108.12 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.548 179.207 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.24 39.68 2.58 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.498 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m -116.16 102.66 9.8 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.915 0.388 . . . . 0.0 110.704 177.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.76 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 27.6 tt0 -79.77 96.02 6.16 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.09 177.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 17.8 m -70.89 108.2 4.4 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.938 -178.221 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.88 -20.73 69.97 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 175.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.464 ' HB2' ' H ' ' A' ' 43' ' ' SER . . . -97.63 -120.08 0.13 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 178.025 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.464 ' H ' ' HB2' ' A' ' 42' ' ' ALA . 53.8 m -121.03 124.91 45.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.759 0.314 . . . . 0.0 111.152 -178.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.7 p -79.57 112.16 17.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 172.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.46 ' HG2' ' HZ1' ' A' ' 45' ' ' LYS . 2.2 mtpp -111.5 160.43 17.15 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.07 -173.255 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 38.9 m -112.48 93.62 4.53 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.645 177.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.8 m -112.75 149.57 32.79 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.682 -176.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.14 -46.37 29.06 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 171.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 68.63 157.61 0.14 Allowed 'General case' 0 CA--C 1.533 0.305 0 O-C-N 124.459 1.099 . . . . 0.0 111.058 171.173 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -121.84 57.99 1.03 Allowed 'General case' 0 C--N 1.322 -0.623 0 O-C-N 122.115 -0.366 . . . . 0.0 111.067 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 p -58.43 100.32 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-O 121.81 0.814 . . . . 0.0 109.939 173.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.4 -64.95 1.07 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.092 -175.101 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -161.1 -45.1 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.495 0.664 . . . . 0.0 109.475 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.18 107.51 19.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.534 177.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 149.04 111.89 0.61 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.077 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -136.02 -61.14 0.71 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.861 0.362 . . . . 0.0 110.122 178.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.93 -28.31 39.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.12 0.486 . . . . 0.0 110.393 178.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -140.7 126.9 19.69 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.808 179.014 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.03 148.62 52.77 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.232 176.268 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 40.7 mm -105.19 124.26 59.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.801 0.334 . . . . 0.0 110.388 -179.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 36.8 mt -112.51 131.12 64.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.164 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -81.66 52.76 1.97 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -175.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 65.92 -66.99 0.15 Allowed 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 173.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.09 -4.34 43.91 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -166.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.47 -20.78 46.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.323 0.582 . . . . 0.0 110.247 177.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 80.2 m -95.45 97.58 9.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.052 174.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.3 m -79.71 -30.0 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.901 0.381 . . . . 0.0 111.186 -176.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.641 -0.695 . . . . 0.0 110.083 -179.458 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.52 116.74 29.27 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.089 0.471 . . . . 0.0 110.995 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.98 100.43 12.13 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.564 178.392 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.42 ' O ' HG13 ' A' ' 5' ' ' ILE . 1.0 OUTLIER -82.06 150.36 4.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.352 0.596 . . . . 0.0 111.917 -172.022 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -107.31 -168.45 22.04 Favored Glycine 0 N--CA 1.445 -0.745 0 N-CA-C 110.634 -0.987 . . . . 0.0 110.634 172.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.584 ' HD3' HG23 ' A' ' 36' ' ' ILE . 89.1 Cg_endo -79.54 -0.08 10.43 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.463 2.108 . . . . 0.0 112.351 -177.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -126.33 44.06 2.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.715 -176.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.413 HG21 ' HB ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -79.93 -51.4 9.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.802 177.867 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.604 ' H ' ' HG3' ' A' ' 17' ' ' PRO . 83.4 m -124.4 99.46 6.21 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.879 178.318 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.56 63.63 0.61 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.328 0.585 . . . . 0.0 110.047 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.1 mt -123.71 110.57 26.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.385 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.451 ' HB3' ' H ' ' A' ' 14' ' ' ASP . 4.0 t70 60.09 -99.77 0.1 Allowed 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.581 0.551 . . . . 0.0 111.287 175.615 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.451 ' H ' ' HB3' ' A' ' 13' ' ' ASP . 26.8 t0 -136.25 17.99 3.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.69 0.757 . . . . 0.0 109.866 178.616 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -89.61 97.85 11.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.611 -177.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.8 159.27 84.72 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.024 -176.722 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.604 ' HG3' ' H ' ' A' ' 10' ' ' CYS . 3.7 Cg_exo -78.13 123.66 6.27 Favored 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 122.757 2.305 . . . . 0.0 111.608 176.276 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.849 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 23.6 m-85 -128.34 138.95 52.61 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.726 -176.628 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -92.65 98.65 11.56 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 176.435 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.504 ' SG ' HD12 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -104.04 138.23 40.86 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.43 0.633 . . . . 0.0 112.328 -171.784 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -123.25 127.81 49.11 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.185 -0.916 . . . . 0.0 108.914 172.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.38 133.22 37.57 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.743 0.306 . . . . 0.0 110.701 -177.055 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.57 155.5 28.14 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.484 -179.545 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -74.85 0.11 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.89 -176.602 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.43 29.19 10.85 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.211 -178.097 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.08 135.62 47.69 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.54 50.33 1.87 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.162 0.506 . . . . 0.0 111.012 -178.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.493 ' HB3' HG23 ' A' ' 60' ' ' ILE . 0.7 OUTLIER -133.55 130.79 38.94 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.34 -179.49 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.564 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 70.5 mt -86.34 115.11 23.66 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 173.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -78.83 97.78 1.52 Allowed Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 178.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.849 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -111.46 140.66 45.87 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.196 0.522 . . . . 0.0 111.786 -172.107 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.5 t -111.78 138.94 38.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 170.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.9 p -67.08 129.11 31.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.042 0.448 . . . . 0.0 110.63 -178.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.5 125.08 7.14 Favored Glycine 0 N--CA 1.441 -1.02 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.242 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.39 -178.9 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 175.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.584 HG23 ' HD3' ' A' ' 7' ' ' PRO . 1.3 mp -73.3 107.64 4.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 120.768 0.318 . . . . 0.0 110.818 -177.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.38 19.25 11.63 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.611 -0.804 . . . . 0.0 113.145 177.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m -80.29 125.1 29.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.776 0.322 . . . . 0.0 110.955 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -80.58 80.44 7.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.394 0.616 . . . . 0.0 109.721 176.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -76.72 99.88 5.23 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.201 -175.75 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.77 19.8 53.17 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.663 176.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -128.01 -171.25 2.4 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.93 106.04 4.08 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.788 0.327 . . . . 0.0 110.713 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.2 t -84.71 89.28 2.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.123 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.33 166.46 10.96 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.618 -177.2 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.436 ' HB3' ' HB3' ' A' ' 10' ' ' CYS . 0.3 OUTLIER -109.94 106.79 16.47 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.789 176.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.8 m -126.06 160.09 31.02 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.407 -176.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.34 -37.15 9.36 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.738 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 5.9 t70 30.55 -122.16 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 O-C-N 125.145 1.528 . . . . 0.0 112.295 -177.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -135.63 104.72 5.9 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.009 0.433 . . . . 0.0 110.908 175.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -106.73 17.84 6.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 172.225 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.98 -44.01 8.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.426 -176.04 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -119.9 -29.24 5.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.126 0.489 . . . . 0.0 110.809 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.35 166.7 10.27 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.644 178.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 133.53 72.32 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.419 177.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -122.32 -130.14 0.27 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.47 -0.196 . . . . 0.0 110.47 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.12 -13.06 59.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.85 0.357 . . . . 0.0 110.977 -179.007 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -152.34 150.55 29.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.441 177.345 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -147.04 137.85 23.75 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.445 176.626 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.493 HG23 ' HB3' ' A' ' 28' ' ' SER . 1.1 mp -105.1 119.21 53.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.564 ' HB ' ' HB2' ' A' ' 29' ' ' LEU . 79.4 mt -96.79 127.13 49.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.033 177.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -86.02 43.82 1.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.309 -178.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 68.35 -63.01 0.35 Allowed 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 176.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.26 49.76 1.0 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.212 0.529 . . . . 0.0 111.923 -172.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.738 ' ND2' ' HA ' ' A' ' 49' ' ' ASP . 1.2 t-20 -145.3 10.68 1.29 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.296 0.57 . . . . 0.0 110.581 178.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.5 t -129.22 144.95 51.4 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.056 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.3 m -107.59 12.57 8.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 121.093 0.473 . . . . 0.0 110.652 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.933 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.36 178.711 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.551 0.215 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.16 -27.32 14.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.917 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.659 ' HA ' ' HA ' ' A' ' 39' ' ' GLN . 2.0 m 60.29 90.87 0.06 Allowed 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.472 0.482 . . . . 0.0 110.785 -175.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.417 HD13 ' HB2' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -85.93 159.72 3.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.201 0.524 . . . . 0.0 111.686 -174.554 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -164.44 -155.42 8.37 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -79.53 51.73 4.0 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 123.12 2.547 . . . . 0.0 111.674 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -160.69 -16.28 0.05 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.27 -175.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.92 -33.91 45.08 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -170.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.587 ' HB2' ' HG3' ' A' ' 17' ' ' PRO . 2.9 t -114.34 135.9 53.57 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.939 0.4 . . . . 0.0 110.933 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.67 17.14 2.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.999 175.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 mt -92.97 97.07 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.657 -174.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.44 ' HB3' ' H ' ' A' ' 14' ' ' ASP . 1.1 t0 54.22 -136.48 1.32 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.739 174.011 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.44 ' H ' ' HB3' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -98.81 13.78 31.16 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.465 0.65 . . . . 0.0 110.882 -177.236 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.644 ' CD2' ' HB2' ' A' ' 48' ' ' LYS . 65.8 m-85 -79.34 155.75 28.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.98 179.154 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.64 154.65 50.9 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.287 -176.4 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.587 ' HG3' ' HB2' ' A' ' 10' ' ' CYS . 3.4 Cg_exo -78.84 134.18 11.8 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 122.711 2.274 . . . . 0.0 111.797 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.474 ' CD1' ' HA ' ' A' ' 33' ' ' VAL . 65.2 m-85 -135.04 146.77 49.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.558 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.407 ' HB3' HG13 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -79.47 71.4 6.04 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 176.492 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 64.1 m -81.82 131.21 35.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.147 -175.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -99.3 165.32 11.74 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.264 174.669 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.2 99.55 12.03 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.923 0.392 . . . . 0.0 110.372 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.92 104.6 16.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.624 -176.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.51 -24.39 27.34 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.09 179.557 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.36 -62.74 3.54 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.334 -178.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.09 147.43 32.42 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.758 0.313 . . . . 0.0 110.704 -178.718 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.13 58.9 3.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.468 0.651 . . . . 0.0 110.014 176.133 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -144.32 145.41 31.98 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.235 -0.893 . . . . 0.0 108.75 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.467 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 3.5 mm? -88.09 96.8 10.66 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.089 0.471 . . . . 0.0 111.277 -173.359 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -78.01 87.91 1.08 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.77 -0.728 . . . . 0.0 111.434 176.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.467 ' SG ' ' HB3' ' A' ' 29' ' ' LEU . 3.1 m -117.57 -178.41 3.47 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.258 0.552 . . . . 0.0 111.173 -177.248 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.407 HG13 ' HB3' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -142.22 146.93 21.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 172.316 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.474 ' HA ' ' CD1' ' A' ' 18' ' ' TYR . 4.5 t -51.29 114.22 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 O-C-N 123.415 0.447 . . . . 0.0 111.719 -176.666 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.31 103.34 2.27 Favored Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 111.274 -0.731 . . . . 0.0 111.274 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 m -102.41 176.29 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.5 mt -62.76 114.23 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.084 0.468 . . . . 0.0 110.367 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.45 -6.71 28.32 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.555 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.3 m -68.13 107.23 2.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.14 0.495 . . . . 0.0 110.731 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.659 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 8.9 mt-30 -80.23 72.17 7.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.326 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 24.6 m -65.11 124.3 21.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.383 -177.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -122.01 56.08 0.65 Allowed Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 111.466 -0.654 . . . . 0.0 111.466 176.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -147.38 -126.46 0.06 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.452 0.168 . . . . 0.0 110.668 -177.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.4 m -84.49 -29.9 25.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.423 0.154 . . . . 0.0 111.154 -178.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.4 t 53.69 82.43 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-O 121.272 0.558 . . . . 0.0 110.385 -176.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -114.2 168.0 10.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.265 -171.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 17.0 m -126.83 110.86 13.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.403 0.621 . . . . 0.0 110.018 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.404 ' HB3' HG21 ' A' ' 61' ' ' ILE . 62.8 m -119.99 159.28 25.03 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.485 -176.281 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.644 ' HB2' ' CD2' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -100.89 -58.63 1.85 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 177.029 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.612 ' HB2' HG23 ' A' ' 61' ' ' ILE . 7.3 t70 53.68 -146.66 0.53 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.135 -176.003 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.405 ' H ' ' CG ' ' A' ' 49' ' ' ASP . 38.8 t70 -124.91 -29.42 3.37 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 174.379 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 t 58.15 56.04 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.422 -179.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.92 36.37 0.56 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.356 -178.467 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.442 HD21 HD21 ' A' ' 59' ' ' LEU . 11.0 p30 -138.62 161.52 36.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.723 179.323 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.45 53.89 2.81 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.679 -177.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 62.55 70.31 1.07 Allowed Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.743 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -78.58 163.13 25.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.652 0.263 . . . . 0.0 110.652 -179.084 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -12.03 59.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.062 -175.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -145.39 132.37 20.26 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.663 174.543 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.442 HD21 HD21 ' A' ' 53' ' ' ASN . 0.1 OUTLIER -129.68 108.45 10.21 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.986 -176.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.5 mp -83.06 95.63 3.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 175.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.612 HG23 ' HB2' ' A' ' 49' ' ' ASP . 8.6 mt -86.11 147.31 5.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.622 -175.291 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -69.29 130.98 44.11 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.085 176.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.72 -28.79 67.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.296 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.96 -1.88 37.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.911 0.386 . . . . 0.0 110.992 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.453 ' ND2' ' HA ' ' A' ' 49' ' ' ASP . 0.9 OUTLIER -111.56 2.04 17.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.732 0.777 . . . . 0.0 109.817 176.672 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 96.4 m -108.97 127.96 54.52 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.06 174.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.0 m -105.56 -45.63 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.907 0.384 . . . . 0.0 111.035 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.843 0 CA-C-O 118.703 -0.665 . . . . 0.0 109.439 179.439 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.609 ' HB1' ' HA2' ' A' ' 41' ' ' GLY . . . . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.597 0.237 . . . . 0.0 110.667 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.586 ' O ' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -78.62 120.96 24.05 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.069 0.461 . . . . 0.0 110.515 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.77 108.31 19.78 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.58 -176.437 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.547 ' HB ' ' OG1' ' A' ' 9' ' ' THR . 0.5 OUTLIER -95.04 139.22 19.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.675 179.511 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.418 ' O ' ' HA ' ' A' ' 36' ' ' ILE . . . -102.66 -122.38 5.08 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.491 -0.862 . . . . 0.0 112.023 -177.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -78.55 72.19 6.49 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.514 2.143 . . . . 0.0 112.197 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 58.1 t30 66.85 98.1 0.05 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.926 175.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.547 ' OG1' ' HB ' ' A' ' 5' ' ' ILE . 0.9 OUTLIER -87.26 14.84 7.09 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.584 0.707 . . . . 0.0 110.782 177.204 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 36.5 m -134.64 55.84 1.88 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.596 176.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.19 63.35 3.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.582 0.706 . . . . 0.0 111.215 -176.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.5 mt -105.0 -57.33 4.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.72 177.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -170.18 -136.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.885 -1.052 . . . . 0.0 108.55 -177.119 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -81.95 57.5 3.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.652 0.739 . . . . 0.0 110.393 177.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -127.46 124.91 39.54 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.161 176.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 12.1 mmtt -92.91 153.34 41.98 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.644 -173.4 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 5.9 Cg_exo -78.91 101.82 1.48 Allowed 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 122.873 2.382 . . . . 0.0 111.934 178.258 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.582 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 31.0 m-85 -98.54 173.64 6.84 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 175.634 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.498 ' HB2' ' HB2' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -134.98 93.33 2.99 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.859 0.361 . . . . 0.0 110.027 176.122 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.413 ' SG ' HD12 ' A' ' 61' ' ' ILE . 1.8 m -84.87 116.24 23.21 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.87 -174.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.524 ' HG2' ' H ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -92.3 128.43 38.15 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.189 176.634 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.13 112.94 15.6 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.1 mmt -78.13 117.21 19.2 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.336 0.589 . . . . 0.0 110.591 -173.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.41 68.87 9.82 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.647 0.737 . . . . 0.0 109.812 -179.341 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 160.8 -55.46 0.32 Allowed Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.603 -177.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.88 129.08 35.67 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 175.402 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.16 57.49 3.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.149 0.5 . . . . 0.0 111.01 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -143.21 155.47 44.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.64 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.3 mt -102.94 119.09 38.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.787 0.327 . . . . 0.0 110.65 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -107.01 116.71 5.08 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.582 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -112.99 110.68 20.91 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.394 0.616 . . . . 0.0 111.207 -174.192 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.1 t -87.0 126.13 40.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.556 176.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.6 t -71.94 137.03 24.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 120.947 0.403 . . . . 0.0 111.301 -173.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -124.13 105.65 0.9 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 121.097 -0.573 . . . . 0.0 111.671 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -90.88 -174.11 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 110.477 -0.194 . . . . 0.0 110.477 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.418 ' HA ' ' O ' ' A' ' 6' ' ' GLY . 60.1 mt -61.81 113.05 0.99 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-O 120.995 0.426 . . . . 0.0 111.295 -176.229 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.67 26.76 26.35 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.23 178.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.9 m -114.86 159.4 20.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.013 0.435 . . . . 0.0 111.418 -178.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.586 ' HA ' ' O ' ' A' ' 3' ' ' THR . 5.3 mt-30 -115.94 103.07 10.24 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 177.266 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.498 ' HB2' ' HB2' ' A' ' 19' ' ' CYS . 29.3 p -76.01 -43.86 42.23 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.84 -171.532 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.609 ' HA2' ' HB1' ' A' ' 2' ' ' ALA . . . 135.63 -52.29 0.8 Allowed Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.033 -1.08 . . . . 0.0 114.039 173.093 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -129.23 -126.72 0.21 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.969 0.385 . . . . 0.0 111.57 -172.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.53 126.46 30.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.876 0.37 . . . . 0.0 111.295 -177.375 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 43.0 t -77.6 122.84 33.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.77 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.5 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 0.2 OUTLIER -124.75 129.8 51.17 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.342 -175.426 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.569 ' H ' ' HB3' ' A' ' 68' ' ' ALA . 27.6 m -87.16 99.21 11.77 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.218 0.532 . . . . 0.0 110.659 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.5 ' SG ' ' HB3' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -138.19 -176.45 4.45 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.333 -177.88 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -140.09 -53.57 0.52 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 176.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.577 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 2.5 t70 62.86 -157.22 0.33 Allowed 'General case' 0 C--O 1.237 0.399 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.982 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -112.62 94.3 4.85 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.002 0.43 . . . . 0.0 110.37 -178.394 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.3 t -84.19 70.05 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.246 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.73 -85.52 0.08 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.398 178.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -130.55 8.58 4.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.399 0.619 . . . . 0.0 109.626 177.184 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.56 125.44 33.78 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.622 -179.548 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 156.84 54.2 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.265 177.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -79.91 -65.66 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.58 -52.26 4.85 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.313 0.578 . . . . 0.0 109.499 174.113 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.1 p90 -158.19 179.33 9.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.114 176.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.93 112.96 25.22 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.035 0.445 . . . . 0.0 111.205 -177.31 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.2 mt -79.69 115.89 22.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 174.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.56 HG22 ' H ' ' A' ' 63' ' ' ALA . 8.2 mt -80.55 144.77 10.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.423 -171.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -79.73 33.89 0.27 Allowed 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.408 -178.282 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.56 ' H ' HG22 ' A' ' 61' ' ' ILE . . . 66.35 -79.79 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 123.868 0.867 . . . . 0.0 112.228 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.81 57.37 2.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.025 0.44 . . . . 0.0 111.79 -173.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.577 ' ND2' ' HA ' ' A' ' 49' ' ' ASP . 1.4 t-20 -143.74 17.18 1.81 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.629 0.728 . . . . 0.0 110.321 176.093 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.43 ' HA ' ' HB3' ' A' ' 47' ' ' CYS . 11.0 t -129.97 132.44 46.3 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.472 177.197 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.6 m -115.13 18.99 7.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -173.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.569 ' HB3' ' H ' ' A' ' 46' ' ' CYS . . . . . . . . 0 C--O 1.246 0.897 0 CA-C-O 118.924 -0.56 . . . . 0.0 110.176 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.993 0.425 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.31 -35.72 30.67 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.003 177.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.506 ' HA ' ' HA ' ' A' ' 39' ' ' GLN . 1.4 m 46.93 74.58 0.15 Allowed 'General case' 0 N--CA 1.463 0.191 0 O-C-N 123.651 0.594 . . . . 0.0 110.957 -176.084 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.2 pt -67.95 149.55 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.309 -173.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.583 ' O ' ' HA ' ' A' ' 36' ' ' ILE . . . -96.36 -136.41 8.87 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.213 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.892 ' HA ' HG12 ' A' ' 36' ' ' ILE . 5.0 Cg_exo -79.4 75.19 5.19 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 123.102 2.534 . . . . 0.0 112.305 -178.192 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.522 ' HA ' ' HG3' ' A' ' 17' ' ' PRO . 32.0 t30 73.1 109.85 0.07 Allowed 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 121.546 0.688 . . . . 0.0 111.17 176.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 m -79.82 -15.01 58.25 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.649 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 88.6 m -116.86 78.59 1.22 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.892 0.377 . . . . 0.0 110.79 -179.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.75 61.5 2.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.953 0.406 . . . . 0.0 111.803 -178.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.457 ' HB ' ' H ' ' A' ' 13' ' ' ASP . 1.0 OUTLIER -107.14 -93.47 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.592 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.457 ' H ' ' HB ' ' A' ' 12' ' ' ILE . 5.0 t70 -127.07 -137.01 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 176.589 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.454 ' O ' ' HD2' ' A' ' 48' ' ' LYS . 26.1 t70 -79.21 53.64 1.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.708 0.766 . . . . 0.0 110.58 177.413 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.454 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . 3.5 m-85 -113.05 89.65 3.14 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.127 178.291 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.26 138.45 94.42 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.257 -172.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.522 ' HG3' ' HA ' ' A' ' 8' ' ' ASN . 74.5 Cg_endo -79.38 119.8 4.27 Favored 'Trans proline' 0 C--O 1.237 0.441 0 C-N-CA 122.768 2.312 . . . . 0.0 112.099 178.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -122.87 151.75 41.42 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.059 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.61 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -85.12 85.44 7.47 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.073 178.332 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.505 ' HB3' HD22 ' A' ' 29' ' ' LEU . 89.9 m -87.85 144.57 26.51 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.712 -178.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.57 137.42 48.45 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.945 176.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.71 83.78 7.01 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 176.691 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.04 119.54 22.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.503 -174.241 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.64 127.25 32.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.246 175.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 153.76 -67.94 0.31 Allowed Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -178.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -116.62 -2.15 12.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.777 0.323 . . . . 0.0 110.509 175.177 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 56.81 40.9 28.74 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.505 -176.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.04 -93.88 0.07 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.654 -178.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.505 HD22 ' HB3' ' A' ' 20' ' ' CYS . 3.3 mt 178.92 -107.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.576 178.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.431 ' H ' ' HB3' ' A' ' 29' ' ' LEU . . . 104.21 110.52 3.49 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -175.467 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.72 ' HB2' HD12 ' A' ' 61' ' ' ILE . 3.5 m -144.04 122.22 12.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.742 0.306 . . . . 0.0 110.931 -174.218 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -93.47 164.19 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 174.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -68.63 119.63 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.878 0.371 . . . . 0.0 111.539 -174.57 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -92.03 -65.41 1.13 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.623 -0.798 . . . . 0.0 111.447 176.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.424 ' HB ' ' H ' ' A' ' 36' ' ' ILE . 4.0 t 57.23 -99.73 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 123.062 0.545 . . . . 0.0 111.873 176.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.892 HG12 ' HA ' ' A' ' 7' ' ' PRO . 66.9 mt -140.51 116.05 7.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.665 -177.289 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.22 49.32 5.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.909 -0.662 . . . . 0.0 113.356 175.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.3 m -121.08 133.15 55.22 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.871 0.367 . . . . 0.0 110.428 176.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.506 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -79.57 78.61 6.1 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.124 0.488 . . . . 0.0 110.657 -178.757 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.69 140.37 58.19 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.95 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -120.66 6.87 11.31 Favored Glycine 0 N--CA 1.449 -0.444 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 176.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -130.9 -130.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 -177.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.27 126.39 54.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.686 0.279 . . . . 0.0 110.665 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.0 t -82.79 110.11 17.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 177.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.1 mmpt? -118.05 153.88 32.98 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.72 -177.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.454 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -97.08 109.94 22.59 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.189 179.751 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.96 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 3.0 m -112.77 132.52 55.2 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.06 0.457 . . . . 0.0 111.17 -177.541 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.454 ' HB3' ' HB2' ' A' ' 65' ' ' ASN . 12.8 tptp -80.37 49.87 1.2 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.524 0.678 . . . . 0.0 109.512 172.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -109.3 96.42 6.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.2 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.9 81.78 5.15 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.769 -175.385 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.2 m -58.21 120.92 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.449 178.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.42 13.42 33.32 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.307 0.575 . . . . 0.0 110.726 -176.407 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -160.05 169.6 23.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.781 177.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.9 -26.11 43.78 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.952 0.406 . . . . 0.0 110.74 179.155 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 75.83 -157.69 49.14 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.795 176.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.57 -144.05 0.17 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 178.651 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.16 -25.9 42.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.148 0.499 . . . . 0.0 110.181 175.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -132.32 149.99 52.25 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.347 -175.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -129.03 142.74 50.81 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.023 177.467 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.8 mp -120.25 106.45 18.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 120.968 0.413 . . . . 0.0 110.352 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.72 HD12 ' HB2' ' A' ' 31' ' ' CYS . 4.3 mt -96.31 145.81 8.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.809 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -81.35 145.23 30.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.929 0.395 . . . . 0.0 111.4 -176.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.98 61.99 1.57 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.364 0.602 . . . . 0.0 110.391 175.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.34 -58.45 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.721 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.454 ' HB2' ' HB3' ' A' ' 48' ' ' LYS . 32.3 p-10 -79.52 -30.43 41.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.091 175.621 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.96 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 8.7 t -79.24 130.18 35.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.959 170.366 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 46' ' ' CYS . 17.0 m -100.2 178.84 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.173 179.243 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.498 -0.763 . . . . 0.0 110.624 -177.983 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.518 ' HB1' ' HA2' ' A' ' 41' ' ' GLY . . . . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.723 0.297 . . . . 0.0 110.409 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.93 128.94 34.9 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.818 -176.438 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.07 135.91 36.04 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 176.221 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.468 HG22 HG22 ' A' ' 44' ' ' VAL . 1.0 OUTLIER -95.17 148.86 4.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.048 0.451 . . . . 0.0 111.361 -175.768 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -88.8 168.7 36.14 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.453 175.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.709 ' HB3' HG23 ' A' ' 36' ' ' ILE . 2.7 Cg_exo -77.9 -28.5 5.01 Favored 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 122.812 2.342 . . . . 0.0 112.499 -177.348 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -126.49 49.81 1.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.988 0.423 . . . . 0.0 110.96 -177.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.05 -5.6 54.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.197 0.523 . . . . 0.0 110.926 177.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 92.5 m -105.18 114.63 28.93 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.316 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.48 61.44 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.559 0.695 . . . . 0.0 110.183 177.384 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.481 HD13 HG21 ' A' ' 67' ' ' VAL . 9.1 mt -126.42 -79.92 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.68 -177.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -149.44 -142.2 0.12 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -79.76 75.26 6.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.471 0.653 . . . . 0.0 109.848 175.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -126.98 145.65 50.62 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.537 179.102 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.82 147.45 35.45 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.3 -175.354 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -79.03 106.28 2.06 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 122.647 2.231 . . . . 0.0 111.675 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -109.27 157.26 19.01 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.164 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 51.5 t -102.05 89.24 3.56 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.582 175.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.542 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 0.6 OUTLIER -84.4 116.26 22.96 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.021 -176.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -78.42 115.92 18.46 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.559 175.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.36 80.22 5.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.314 0.578 . . . . 0.0 110.398 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 44.4 mtm -79.92 81.31 6.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.191 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 m -56.51 115.89 2.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.677 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.88 -1.13 9.99 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 110.611 -0.995 . . . . 0.0 110.611 -174.186 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.43 130.76 15.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.217 -0.492 . . . . 0.0 109.777 179.326 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.11 42.49 0.99 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.398 0.618 . . . . 0.0 110.589 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -122.88 114.3 20.29 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.297 -179.258 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.447 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 0.3 OUTLIER -81.54 104.65 12.11 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.16 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 20' ' ' CYS . . . -84.44 84.36 1.59 Allowed Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 179.583 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.542 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 0.8 OUTLIER -94.31 91.16 6.58 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.324 0.583 . . . . 0.0 110.681 -174.16 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.825 ' HA ' ' HB2' ' A' ' 58' ' ' PHE . 1.7 t -69.47 144.21 14.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.786 177.191 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.8 t -58.03 115.78 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.815 0.34 . . . . 0.0 111.188 -176.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -90.73 93.28 1.84 Allowed Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 111.547 -0.621 . . . . 0.0 111.547 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -82.5 166.46 2.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 120.787 0.327 . . . . 0.0 110.355 -178.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.709 HG23 ' HB3' ' A' ' 7' ' ' PRO . 29.0 mm -64.45 111.9 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.299 -175.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.38 27.3 40.12 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.327 178.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.7 m -102.3 146.36 28.13 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.071 0.463 . . . . 0.0 110.96 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.448 ' NE2' ' HB3' ' A' ' 2' ' ' ALA . 0.8 OUTLIER -80.93 131.86 35.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.464 179.598 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.42 ' HB2' ' CG2' ' A' ' 5' ' ' ILE . 42.4 t -91.64 -69.6 0.73 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.759 178.428 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.518 ' HA2' ' HB1' ' A' ' 2' ' ' ALA . . . 99.5 -39.15 2.83 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.83 -176.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -99.44 -100.27 0.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.479 0.18 . . . . 0.0 111.126 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.31 133.25 29.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.672 0.272 . . . . 0.0 111.337 -177.444 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.468 HG22 HG22 ' A' ' 5' ' ' ILE . 2.8 t -79.77 110.87 15.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.672 175.707 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.537 ' HG3' ' HB2' ' A' ' 20' ' ' CYS . 15.7 mtpp -119.67 135.86 54.64 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.605 -177.043 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 72.1 m -95.06 83.69 3.97 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.311 0.577 . . . . 0.0 110.103 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.6 m -109.55 -171.68 1.89 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.317 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -134.5 -58.1 0.83 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 176.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.559 ' HA ' ' CG ' ' A' ' 65' ' ' ASN . 4.9 t70 53.17 -141.77 0.84 Allowed 'General case' 0 C--O 1.235 0.316 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.404 -176.696 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.583 ' CG ' ' HB2' ' A' ' 53' ' ' ASN . 11.2 t0 -130.56 105.64 7.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.0 0.428 . . . . 0.0 110.672 177.743 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.563 HG12 HD11 ' A' ' 59' ' ' LEU . 16.5 m -79.19 -15.68 13.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.822 -177.328 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.417 HG23 ' OD1' ' A' ' 50' ' ' ASP . 0.2 OUTLIER -103.69 -30.97 10.1 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.282 -175.204 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.583 ' HB2' ' CG ' ' A' ' 50' ' ' ASP . 3.3 m-20 -79.78 -54.27 6.0 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.849 0.357 . . . . 0.0 110.8 177.715 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.05 76.3 6.78 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 121.057 0.456 . . . . 0.0 110.924 -178.009 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -70.15 103.24 1.12 Allowed Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.481 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -160.37 173.11 16.12 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 176.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.87 -9.65 59.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.269 0.557 . . . . 0.0 110.891 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.825 ' HB2' ' HA ' ' A' ' 32' ' ' VAL . 4.5 p90 -151.24 150.95 31.17 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.161 175.664 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.563 HD11 HG12 ' A' ' 51' ' ' VAL . 21.0 mt -100.94 115.18 29.82 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.123 0.487 . . . . 0.0 111.459 -172.692 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.2 mt -82.6 111.22 18.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 171.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.513 HD11 ' HB2' ' A' ' 31' ' ' CYS . 7.7 mm -77.48 135.74 25.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.868 0.366 . . . . 0.0 110.795 -173.111 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -79.36 40.26 0.42 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.565 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 64.27 -73.22 0.05 Allowed 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.511 0.724 . . . . 0.0 111.901 -178.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.79 59.81 3.23 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.212 0.53 . . . . 0.0 111.982 -174.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.559 ' CG ' ' HA ' ' A' ' 49' ' ' ASP . 0.9 OUTLIER -151.23 23.34 0.73 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.841 0.829 . . . . 0.0 109.894 173.406 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 5.5 t -135.99 162.94 31.47 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.472 -1.24 . . . . 0.0 109.009 177.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.481 HG21 HD13 ' A' ' 12' ' ' ILE . 3.2 t -79.88 -78.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.855 0.36 . . . . 0.0 110.896 -179.422 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.15 0 CA-C-O 117.975 -1.012 . . . . 0.0 109.717 -179.464 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 120.481 0.182 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.44 131.83 35.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.142 0.496 . . . . 0.0 111.358 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.5 m -79.58 104.95 10.53 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.166 176.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -108.93 154.37 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.935 0.398 . . . . 0.0 110.906 -178.563 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -159.57 -146.67 4.64 Favored Glycine 0 N--CA 1.445 -0.732 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.989 -179.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -88.79 22.77 0.81 Allowed 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 123.268 2.646 . . . . 0.0 113.305 -177.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.423 ' HA ' ' OG ' ' A' ' 11' ' ' SER . 1.9 p-10 -150.49 19.87 0.83 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.974 0.416 . . . . 0.0 111.6 179.004 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -93.06 -29.43 15.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.119 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.81 46.8 2.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.459 0.647 . . . . 0.0 109.672 177.592 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.423 ' OG ' ' HA ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -79.41 61.91 3.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.672 -176.378 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.43 ' HB ' ' H ' ' A' ' 13' ' ' ASP . 13.6 mt -98.41 -89.23 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.956 176.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.43 ' H ' ' HB ' ' A' ' 12' ' ' ILE . 8.3 t70 -113.09 -139.26 0.38 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 177.495 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -85.78 19.36 2.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.681 0.753 . . . . 0.0 109.606 173.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -78.59 137.36 37.83 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.122 -0.945 . . . . 0.0 108.88 176.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.89 153.49 39.32 Favored Pre-proline 0 C--N 1.319 -0.749 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.545 -174.297 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -76.7 103.23 1.72 Allowed 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 122.342 2.028 . . . . 0.0 111.167 176.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.836 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 51.5 m-85 -105.39 120.1 40.75 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.773 -177.3 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.509 ' HA ' ' O ' ' A' ' 43' ' ' SER . 63.7 m -99.08 102.02 13.58 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.322 0.582 . . . . 0.0 110.409 -177.596 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.495 ' HB3' ' HA ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -127.64 175.8 8.01 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.049 -175.572 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -110.96 147.54 34.47 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 174.223 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.02 120.19 23.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.805 0.336 . . . . 0.0 110.94 -177.345 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.437 ' SD ' ' HA ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -80.15 -156.09 0.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.591 178.526 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.9 69.95 2.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.087 0.47 . . . . 0.0 110.91 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.93 -86.5 0.77 Allowed Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.676 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.21 119.54 25.42 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.676 0.274 . . . . 0.0 110.304 -177.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -168.17 -178.4 3.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.765 -178.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.23 81.09 3.02 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 173.359 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.437 ' HA ' ' SD ' ' A' ' 23' ' ' MET . 0.5 OUTLIER -72.71 140.93 48.16 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.737 -172.645 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.08 122.24 5.78 Favored Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.586 178.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.836 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 11.1 t -125.66 160.88 28.55 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 120.666 0.27 . . . . 0.0 111.329 -174.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.8 t -124.62 130.81 73.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 173.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.3 p -66.44 125.71 24.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 178.101 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.01 -42.27 96.85 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.757 -176.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.0 t 72.32 149.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 122.998 0.519 . . . . 0.0 110.471 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.6 mm -74.25 111.81 10.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.129 -176.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.67 55.92 1.95 Allowed Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.423 177.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.09 165.2 28.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.932 0.396 . . . . 0.0 111.243 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -100.91 95.33 6.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.916 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -74.65 116.81 15.77 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.119 0.485 . . . . 0.0 111.199 -175.557 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.11 36.37 3.69 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.103 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.403 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . . . -156.1 178.42 10.31 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 -177.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.509 ' O ' ' HA ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -74.97 123.27 24.83 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.037 -178.212 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.4 t -82.01 113.77 21.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.925 0.393 . . . . 0.0 111.114 -177.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -110.69 178.11 4.47 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.972 177.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -132.01 96.1 3.83 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.334 0.588 . . . . 0.0 110.231 179.288 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.1 m -123.93 -178.49 4.08 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.063 -178.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.59 -61.61 1.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.706 0.288 . . . . 0.0 110.552 178.205 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 t70 53.34 -137.42 1.23 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.792 -172.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -159.97 96.84 1.25 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.043 0.449 . . . . 0.0 111.065 175.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.2 t -77.12 65.9 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.362 0.601 . . . . 0.0 110.596 177.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.21 -33.11 26.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.731 178.173 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -160.36 -38.1 0.05 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.788 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.51 125.1 28.81 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.725 -177.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.721 ' HA2' ' HG ' ' A' ' 59' ' ' LEU . . . 147.35 73.77 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 111.411 -0.675 . . . . 0.0 111.411 -177.748 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.463 ' HB3' ' H ' ' A' ' 57' ' ' SER . 3.1 t-20 -117.51 -98.07 0.45 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.463 ' H ' ' HB3' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -79.95 -31.29 39.97 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.481 0.658 . . . . 0.0 109.896 175.638 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -142.25 149.58 39.79 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.531 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.721 ' HG ' ' HA2' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -130.28 110.03 11.23 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 174.848 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.1 mp -79.79 114.43 20.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.8 mt -80.95 133.67 28.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.279 -177.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -78.31 37.59 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 112.029 -177.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 62.85 -84.66 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 173.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.55 48.71 0.94 Allowed 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -166.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -134.74 -6.16 2.47 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.266 0.555 . . . . 0.0 109.946 172.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.9 t -88.68 135.47 33.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.474 172.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -79.36 -47.75 21.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 121.146 -0.222 . . . . 0.0 111.26 -174.519 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.837 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.515 -177.236 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.46 ' HA ' ' CA ' ' A' ' 41' ' ' GLY . . . . . . . . 0 N--CA 1.455 -0.181 0 CA-C-O 121.033 0.444 . . . . 0.0 110.145 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.98 142.27 27.67 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.152 -176.096 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.48 124.82 39.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.583 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.49 ' O ' HG13 ' A' ' 5' ' ' ILE . 0.4 OUTLIER -94.8 143.33 11.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.365 178.849 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.424 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -109.48 -128.59 5.63 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.532 -177.358 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -79.39 73.59 5.95 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.987 2.458 . . . . 0.0 112.942 -175.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 69.78 104.43 0.06 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.349 177.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.39 -2.7 58.51 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.276 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 m -102.14 52.97 0.81 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.243 0.544 . . . . 0.0 111.133 -176.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.72 53.33 0.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.305 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.8 mm -109.29 -37.26 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.284 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.0 t70 175.64 -147.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -175.193 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -81.01 68.61 7.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.603 0.716 . . . . 0.0 109.548 172.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.651 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . 29.4 m-85 -121.88 137.81 54.64 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.575 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.454 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -98.97 138.94 20.71 Favored Pre-proline 0 C--N 1.32 -0.715 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 -178.416 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 4.8 Cg_exo -77.97 119.3 4.66 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 123.057 2.505 . . . . 0.0 112.189 -176.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.434 ' CD1' ' HA ' ' A' ' 33' ' ' VAL . 66.5 m-85 -130.22 141.0 50.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.878 177.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.4 m -92.16 99.9 12.62 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.122 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.563 ' SG ' HD12 ' A' ' 29' ' ' LEU . 1.3 m -88.65 123.82 33.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.917 -176.319 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.856 ' HB2' ' HZ ' ' A' ' 58' ' ' PHE . 27.0 mt-30 -91.43 115.61 28.17 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 172.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.9 m -79.34 117.78 20.64 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.89 -178.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.415 ' HB2' ' O ' ' A' ' 28' ' ' SER . 1.1 mpp? -79.83 69.59 6.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.252 -175.59 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.473 ' HB2' ' H ' ' A' ' 25' ' ' GLY . 0.7 OUTLIER 45.91 -107.2 0.14 Allowed 'General case' 0 C--O 1.237 0.442 0 O-C-N 123.998 0.811 . . . . 0.0 111.829 176.201 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.473 ' H ' ' HB2' ' A' ' 24' ' ' SER . . . -127.87 29.97 4.05 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.497 -178.505 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.62 -2.83 58.83 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.647 -0.325 . . . . 0.0 110.806 177.667 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 62.64 33.56 15.61 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.813 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' A' ' 23' ' ' MET . 0.3 OUTLIER -135.82 156.67 48.43 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.458 178.246 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.563 HD12 ' SG ' ' A' ' 20' ' ' CYS . 1.1 pt? -156.09 163.12 40.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.794 0.331 . . . . 0.0 110.739 -178.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.502 ' O ' ' HA ' ' A' ' 20' ' ' CYS . . . -141.47 140.33 10.16 Favored Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 18' ' ' TYR . 0.1 OUTLIER -120.57 115.16 22.87 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.008 0.432 . . . . 0.0 110.765 -173.663 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.02 155.23 3.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 175.343 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.434 ' HA ' ' CD1' ' A' ' 18' ' ' TYR . 13.7 p -63.79 124.57 18.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.405 0.621 . . . . 0.0 111.686 -174.096 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.29 73.9 0.32 Allowed Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.56 178.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -78.14 168.45 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.424 HG22 ' O ' ' A' ' 6' ' ' GLY . 1.3 pt -59.83 132.2 24.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.217 0.532 . . . . 0.0 111.221 -177.408 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.05 23.75 47.62 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.796 -0.716 . . . . 0.0 113.017 178.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.3 m -96.17 149.3 21.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.047 0.451 . . . . 0.0 110.934 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -108.42 99.03 8.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.857 178.411 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 68.5 m -114.77 113.59 24.46 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.166 0.508 . . . . 0.0 111.17 -176.009 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.46 ' CA ' ' HA ' ' A' ' 2' ' ' ALA . . . -98.57 52.71 1.16 Allowed Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.645 176.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -149.65 -173.75 4.49 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 -177.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.09 88.38 2.42 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.911 0.386 . . . . 0.0 111.172 -179.231 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.5 t -66.73 127.79 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 176.062 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.478 ' HB3' ' SG ' ' A' ' 66' ' ' CYS . 0.5 OUTLIER -135.19 170.98 15.08 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.076 0.465 . . . . 0.0 110.935 -176.31 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.651 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 97.6 m -111.11 109.72 19.92 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.288 -179.261 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.748 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 0.6 OUTLIER -112.65 139.47 48.23 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.161 0.505 . . . . 0.0 110.816 -178.829 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -102.01 35.04 2.48 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 174.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -77.34 156.89 30.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.347 -175.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -87.38 -16.27 35.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.691 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.1 t 60.71 46.32 0.27 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.142 0 CA-C-O 121.825 0.821 . . . . 0.0 110.293 -178.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.28 4.41 54.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.58 176.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -79.92 144.94 32.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.792 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.45 108.98 13.4 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.639 -178.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -147.82 131.69 3.96 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.878 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -80.4 -48.43 12.91 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.068 0.461 . . . . 0.0 110.468 178.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.08 -62.97 1.19 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.522 177.211 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.856 ' HZ ' ' HB2' ' A' ' 21' ' ' GLN . 1.1 t80 -84.28 114.29 21.74 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.395 178.708 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.92 128.77 54.0 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.069 178.079 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.6 mp -85.78 123.29 39.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -111.26 135.74 49.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.857 -178.669 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -61.14 137.23 58.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.219 -178.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.71 -9.72 55.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.834 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.45 -11.49 54.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.447 175.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -107.6 -33.32 7.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.856 -178.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.748 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 1.9 t -94.53 130.97 40.73 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 174.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.517 HG22 ' O ' ' A' ' 46' ' ' CYS . 29.0 m -88.16 171.29 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.21 0.529 . . . . 0.0 111.888 -174.689 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.077 -0.963 . . . . 0.0 109.91 179.066 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.534 ' HB1' ' HG3' ' A' ' 39' ' ' GLN . . . . . . . . 0 C--O 1.233 0.204 0 CA-C-O 121.047 0.451 . . . . 0.0 110.35 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.64 138.4 37.39 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.588 -176.003 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.02 89.41 7.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.015 0.436 . . . . 0.0 110.66 178.072 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.402 HG22 ' H ' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -79.72 117.78 26.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 178.215 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.409 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -98.11 -138.48 10.23 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.669 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -77.79 73.26 5.74 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.984 2.456 . . . . 0.0 111.179 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 51.6 t30 73.99 113.88 0.06 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.954 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.2 m -88.01 -15.47 36.33 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.556 177.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 56.9 m -109.1 74.74 0.92 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.722 -177.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.28 54.03 1.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.964 0.411 . . . . 0.0 110.818 178.152 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.2 mt -127.09 102.28 9.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.443 -178.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.6 t70 58.98 -105.4 0.25 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.047 177.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -134.02 33.74 3.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.864 0.84 . . . . 0.0 109.967 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.477 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . 0.1 OUTLIER -83.47 115.14 21.93 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.188 178.176 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -85.82 139.92 35.28 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.219 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_endo -79.88 133.04 9.95 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 122.625 2.217 . . . . 0.0 111.921 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.656 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 86.3 m-85 -132.55 128.69 37.81 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.76 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 29.8 m -81.99 103.22 11.47 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 177.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.635 ' SG ' ' HB3' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -100.45 130.82 46.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.932 -0.577 . . . . 0.0 112.019 -172.631 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -80.61 152.81 28.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.163 177.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.36 85.67 5.81 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.087 0.47 . . . . 0.0 111.905 -175.208 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.14 -71.51 0.6 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.024 0.44 . . . . 0.0 110.037 174.164 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.3 p -152.58 -60.6 0.15 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.269 0.557 . . . . 0.0 109.999 178.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.57 ' HA2' HD21 ' A' ' 29' ' ' LEU . . . 101.46 -8.28 56.7 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.57 -177.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.73 31.64 6.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.199 0.523 . . . . 0.0 110.476 -179.23 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -162.99 -63.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.338 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.0 m -152.67 151.17 30.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.415 177.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.635 ' HB3' ' SG ' ' A' ' 20' ' ' CYS . 0.6 OUTLIER -119.55 128.22 53.72 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.729 0.3 . . . . 0.0 110.251 179.379 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -95.83 88.81 1.08 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.707 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.656 ' HB2' ' HB3' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -125.53 117.08 22.83 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.08 0.467 . . . . 0.0 111.2 -176.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.595 HG13 ' HB2' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -86.91 163.04 2.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.693 175.074 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.6 p -61.1 135.95 25.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.895 0.379 . . . . 0.0 110.907 -177.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.77 116.75 9.8 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.238 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -79.5 115.99 22.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 120.901 0.381 . . . . 0.0 110.491 179.53 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 6' ' ' GLY . 0.8 OUTLIER -59.72 130.62 23.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.765 -175.804 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.67 31.81 60.09 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.575 175.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m -129.91 158.45 39.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.063 0.459 . . . . 0.0 111.485 -177.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.534 ' HG3' ' HB1' ' A' ' 2' ' ' ALA . 5.6 tp60 -91.99 94.83 9.46 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.753 177.54 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -80.36 113.81 18.81 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.195 179.727 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' A' ' 2' ' ' ALA . . . -85.94 44.36 3.34 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.697 -178.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -153.87 157.97 40.08 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -176.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.416 ' HB2' ' HE2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -63.95 106.33 1.01 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.228 -178.5 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.5 t -78.97 122.06 33.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.752 0.31 . . . . 0.0 110.243 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' ' 43' ' ' SER . 1.5 mttt -122.15 167.09 13.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.919 179.216 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.477 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 4.1 m -105.69 112.62 25.77 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.119 0.485 . . . . 0.0 109.785 177.504 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 2.8 m -127.62 150.29 49.8 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.011 0.434 . . . . 0.0 111.359 -174.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.74 68.77 0.92 Allowed 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 173.096 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.6 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 1.9 t70 -90.8 -168.12 2.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.794 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -90.5 107.64 19.29 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 177.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.7 p -126.52 85.12 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.793 0.806 . . . . 0.0 111.214 -176.042 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.7 m -85.88 -22.33 27.56 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.573 0.702 . . . . 0.0 109.742 172.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -160.33 -155.91 0.46 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.104 177.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.68 17.31 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.816 0.341 . . . . 0.0 111.319 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.98 -107.41 2.12 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -174.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.448 ' HB3' ' H ' ' A' ' 57' ' ' SER . 9.1 t-20 -108.94 -88.09 0.49 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 174.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.448 ' H ' ' HB3' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -101.49 -22.29 14.56 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.552 0.691 . . . . 0.0 109.316 171.284 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.595 ' HB2' HG13 ' A' ' 32' ' ' VAL . 3.6 p90 -160.58 173.84 14.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.743 -1.117 . . . . 0.0 108.488 178.092 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 mt -103.74 142.53 34.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.087 0.47 . . . . 0.0 111.913 -174.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.7 mt -114.0 120.83 64.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.3 175.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.484 HG23 ' HB2' ' A' ' 49' ' ' ASP . 22.2 mt -115.41 153.04 16.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.799 -174.562 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -96.5 148.67 22.58 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.207 176.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.65 7.06 9.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.862 0.363 . . . . 0.0 111.527 -177.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -90.43 -36.82 14.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.136 0.493 . . . . 0.0 110.983 178.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.6 ' ND2' ' HA ' ' A' ' 49' ' ' ASP . 10.6 p-10 -103.9 -11.73 17.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.216 0.531 . . . . 0.0 110.776 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 53.3 t -102.07 147.16 26.93 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.653 170.357 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.5 m -100.36 101.67 12.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.396 0.617 . . . . 0.0 110.253 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.166 0 CA-C-O 118.606 -0.711 . . . . 0.0 110.387 -178.812 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.389 0 CA-C-O 120.857 0.36 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.16 131.06 38.09 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.755 -178.761 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.638 ' HA ' ' HA ' ' A' ' 39' ' ' GLN . 1.3 m -91.44 129.98 37.35 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.969 -176.104 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.42 ' O ' HG13 ' A' ' 5' ' ' ILE . 3.8 pt -114.13 144.37 21.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.072 177.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -88.16 -150.22 19.91 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.556 -0.83 . . . . 0.0 111.862 177.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.875 ' HA ' HG23 ' A' ' 36' ' ' ILE . 6.0 Cg_exo -79.55 -5.56 14.16 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 123.074 2.516 . . . . 0.0 112.183 177.358 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -161.48 104.24 1.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.112 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.45 -15.39 17.18 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 179.583 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.8 m -123.98 76.81 1.48 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.93 0.395 . . . . 0.0 111.081 -175.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.24 61.51 4.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.171 0.51 . . . . 0.0 111.256 -178.109 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.1 mt -116.75 -56.44 3.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.775 178.244 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -172.82 -134.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.066 178.061 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -79.52 66.43 4.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.629 0.728 . . . . 0.0 110.126 177.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -122.52 121.39 36.44 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.009 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.27 135.91 26.32 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.612 -175.612 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -79.4 101.76 1.44 Allowed 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 122.598 2.199 . . . . 0.0 111.41 177.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -101.58 131.89 47.54 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.059 -176.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.401 ' HB3' ' HB3' ' A' ' 40' ' ' CYS . 2.8 m -79.54 97.18 6.35 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.561 175.31 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -104.13 117.4 34.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.22 0.533 . . . . 0.0 111.83 -173.803 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.478 ' HG2' ' H ' ' A' ' 21' ' ' GLN . 1.5 mm-40 -81.33 116.19 21.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.28 175.5 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.56 148.05 31.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.9 0.381 . . . . 0.0 110.603 -177.754 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.415 ' HB3' ' H ' ' A' ' 24' ' ' SER . 2.4 mtt -113.09 -153.32 0.52 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.67 -177.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.415 ' H ' ' HB3' ' A' ' 23' ' ' MET . 0.0 OUTLIER -88.1 -144.45 0.13 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.276 -179.767 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.412 ' H ' ' HB2' ' A' ' 24' ' ' SER . . . -76.86 61.59 3.32 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.506 178.495 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.39 147.44 49.17 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.592 0.234 . . . . 0.0 110.656 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.41 42.63 1.01 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.323 0.583 . . . . 0.0 110.015 177.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -133.79 148.44 51.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.072 -178.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 29' ' ' LEU . 1.0 OUTLIER -126.28 -175.91 3.51 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 177.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.434 ' O ' ' HA ' ' A' ' 20' ' ' CYS . . . -149.31 78.37 0.22 Allowed Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -176.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 1.4 m -94.91 143.64 26.3 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.466 0.65 . . . . 0.0 111.794 -172.618 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -130.52 156.72 42.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 170.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.2 p -65.57 135.41 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.583 0.23 . . . . 0.0 110.542 -177.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.53 130.23 47.76 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.589 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.487 ' HB ' ' HB2' ' A' ' 38' ' ' SER . 0.2 OUTLIER -69.79 -20.14 23.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.83 -0.185 . . . . 0.0 111.299 -177.454 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.875 HG23 ' HA ' ' A' ' 7' ' ' PRO . 49.2 mm 67.82 104.36 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 O-C-N 123.553 0.533 . . . . 0.0 111.154 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.48 22.89 57.73 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.933 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.487 ' HB2' ' HB ' ' A' ' 35' ' ' VAL . 3.4 m -148.75 173.52 13.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.77 0.319 . . . . 0.0 110.413 -177.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.638 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 1.9 mp0 -80.24 138.68 36.85 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.423 -179.039 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.401 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 1.2 m -87.19 -15.61 37.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.029 0.443 . . . . 0.0 110.848 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.72 -13.81 40.31 Favored Glycine 0 CA--C 1.519 0.287 0 CA-C-N 115.927 -0.579 . . . . 0.0 113.439 175.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -159.72 -162.25 1.0 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.764 0.282 . . . . 0.0 110.719 -178.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.96 126.95 29.81 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 123.569 0.543 . . . . 0.0 111.838 -177.058 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.7 t -86.95 102.35 12.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.091 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.43 ' HD2' ' HA ' ' A' ' 45' ' ' LYS . 26.7 mmmt -91.58 128.82 37.56 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.904 -176.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 96.2 m -92.65 83.35 4.86 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 174.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.677 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 0.6 OUTLIER -108.11 148.33 29.97 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.741 -171.861 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.57 -48.98 5.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.099 174.191 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.609 ' H ' ' HB2' ' A' ' 65' ' ' ASN . 37.8 t70 54.38 -111.06 0.59 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 114.547 -1.206 . . . . 0.0 110.022 -177.302 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -171.69 -34.09 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 50.7 t 69.17 115.91 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.231 0.12 0 CA-C-N 114.907 -1.042 . . . . 0.0 112.037 172.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 10.1 t -79.21 151.85 30.98 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 174.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -79.45 -9.28 59.57 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.059 0.457 . . . . 0.0 111.006 -175.453 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -88.17 120.67 29.74 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.367 176.19 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -76.96 157.04 46.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.804 -177.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -159.87 168.48 25.67 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.76 -12.64 59.77 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.842 0.353 . . . . 0.0 110.733 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -136.96 134.99 37.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.814 -178.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.4 mt -117.53 93.08 4.02 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 176.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.8 mt -79.7 72.08 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.126 0.489 . . . . 0.0 111.57 -173.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.41 HD12 ' HB2' ' A' ' 31' ' ' CYS . 2.3 mt -84.11 152.67 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.72 175.564 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -101.14 160.28 14.52 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 178.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.02 51.95 1.02 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.241 0.544 . . . . 0.0 111.011 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -114.37 -44.63 3.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.255 -177.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.609 ' HB2' ' H ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -103.31 14.89 30.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.96 -176.248 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.677 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -105.51 122.15 45.41 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.037 177.661 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.4 m -78.98 -19.08 12.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.885 0.374 . . . . 0.0 111.16 -175.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.857 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.448 0 CA-C-O 121.066 0.46 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.18 128.76 33.7 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.475 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.38 119.23 36.7 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.246 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.514 ' HB ' ' OG1' ' A' ' 9' ' ' THR . 8.8 pt -104.07 162.58 4.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.503 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -93.74 -144.11 14.81 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.827 -0.702 . . . . 0.0 111.913 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.62 ' HA ' HG12 ' A' ' 36' ' ' ILE . 4.7 Cg_exo -78.42 -32.8 2.1 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.449 2.099 . . . . 0.0 111.164 175.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -145.45 123.25 11.92 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 172.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.514 ' OG1' ' HB ' ' A' ' 5' ' ' ILE . 0.3 OUTLIER -125.64 44.48 2.82 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.438 0.637 . . . . 0.0 110.849 179.253 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.7 t -159.54 79.7 0.73 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.041 179.01 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.31 39.58 2.15 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.177 0.513 . . . . 0.0 110.799 -179.668 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.4 mm -78.75 -52.57 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.246 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -170.97 -125.0 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.394 -0.821 . . . . 0.0 108.952 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -93.9 67.09 3.71 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.295 0.569 . . . . 0.0 109.635 174.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -132.18 153.78 50.21 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.006 178.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.0 mttm -112.42 146.24 34.54 Favored Pre-proline 0 C--N 1.32 -0.698 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -78.7 98.89 1.22 Allowed 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 122.476 2.117 . . . . 0.0 112.084 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.595 ' HB3' ' HB3' ' A' ' 31' ' ' CYS . 37.5 m-85 -107.86 116.17 31.47 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.428 -179.438 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.646 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 34.1 m -78.52 87.58 4.49 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 174.586 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.935 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 7.4 t -94.61 123.59 38.14 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.542 -169.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -83.37 99.33 9.98 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.664 176.002 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.37 103.85 8.58 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 175.079 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.86 ' HB2' ' HB2' ' A' ' 28' ' ' SER . 67.7 mtp -82.06 29.11 0.41 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.696 -173.4 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 35.74 78.54 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 O-C-N 124.299 1.0 . . . . 0.0 112.936 176.309 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 169.21 -123.27 1.07 Allowed Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 119.836 -1.173 . . . . 0.0 113.626 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.22 67.55 9.26 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -169.276 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 55.51 25.16 7.55 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.783 175.282 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.86 ' HB2' ' HB2' ' A' ' 23' ' ' MET . 0.4 OUTLIER -78.72 83.65 4.86 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.827 -177.342 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.567 ' HB3' ' SG ' ' A' ' 20' ' ' CYS . 8.0 mt -108.79 98.58 8.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.251 178.577 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.452 ' HA3' ' CZ ' ' A' ' 58' ' ' PHE . . . -97.09 87.74 0.92 Allowed Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 177.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.935 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -97.36 118.56 34.11 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.153 0.501 . . . . 0.0 111.251 -173.886 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.6 t -97.22 140.14 18.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.805 176.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.403 HG13 ' CE1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -62.97 124.7 18.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.011 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -76.32 123.02 6.65 Favored Glycine 0 N--CA 1.444 -0.795 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 176.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.51 ' HB ' ' H ' ' A' ' 36' ' ' ILE . 0.5 OUTLIER -94.82 -110.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.47 0.176 . . . . 0.0 110.7 -177.23 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.62 HG12 ' HA ' ' A' ' 7' ' ' PRO . 78.2 mt -134.76 110.79 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.72 0.295 . . . . 0.0 110.298 -178.464 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.12 32.42 60.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.761 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.97 139.73 35.64 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.24 0.543 . . . . 0.0 111.385 -178.337 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -91.34 99.13 12.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.208 175.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.509 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 66.5 m -97.8 110.69 23.21 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.065 -176.506 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.92 38.55 3.04 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 121.069 -0.586 . . . . 0.0 111.827 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -160.09 172.63 17.13 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -176.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.03 109.58 4.62 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.148 0.499 . . . . 0.0 111.343 -177.604 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.646 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 2.1 p -77.25 107.29 8.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.387 0.613 . . . . 0.0 109.393 174.646 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.624 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . 2.9 mttt -112.94 157.75 21.08 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.692 -175.113 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 18.1 m -96.49 95.4 7.99 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.931 177.122 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 1.8 m -107.45 143.22 36.12 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.926 0.393 . . . . 0.0 110.955 -178.326 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.436 ' O ' ' HB2' ' A' ' 65' ' ' ASN . 0.1 OUTLIER -90.41 81.28 6.01 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 172.656 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -66.0 153.21 42.79 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.211 -175.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -102.68 -14.24 16.77 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.683 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.9 t 55.27 30.65 0.16 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.29 -2.26 58.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.943 176.467 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -105.24 110.09 22.33 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.184 -0.916 . . . . 0.0 108.556 173.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.39 69.45 5.63 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.185 0.517 . . . . 0.0 111.551 -174.38 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.507 ' HA3' ' O ' ' A' ' 58' ' ' PHE . . . -103.58 139.12 14.37 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.794 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -101.04 -49.62 4.05 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.846 0.355 . . . . 0.0 110.276 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.94 -2.87 24.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.007 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.507 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -156.3 129.36 7.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.279 -179.072 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.39 129.91 51.54 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 176.085 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 56.4 mt -102.88 108.48 24.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.21 0.529 . . . . 0.0 110.416 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.588 HD13 ' HB2' ' A' ' 31' ' ' CYS . 3.8 mp -107.08 143.12 18.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.943 -177.152 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -85.36 163.84 18.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.307 0.575 . . . . 0.0 111.451 -176.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.24 16.05 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.801 -175.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.94 -45.31 5.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.954 0.407 . . . . 0.0 110.338 176.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.444 HD21 HG23 ' A' ' 61' ' ' ILE . 15.7 p-10 -86.25 -19.36 30.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.702 178.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 18.5 t -97.22 134.73 40.14 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 170.106 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.9 m -105.25 39.83 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -173.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.624 ' HB3' ' HB3' ' A' ' 45' ' ' LYS . . . . . . . . 0 C--O 1.245 0.841 0 CA-C-O 118.637 -0.697 . . . . 0.0 110.51 178.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.421 ' HA ' ' O ' ' A' ' 40' ' ' CYS . . . . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.982 0.42 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.89 -21.28 44.2 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.546 178.427 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.801 HG23 ' HG3' ' A' ' 39' ' ' GLN . 19.2 m 72.18 123.64 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.597 -178.503 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.572 ' H ' ' HA ' ' A' ' 39' ' ' GLN . 0.7 OUTLIER -108.82 101.27 12.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-O 121.55 0.691 . . . . 0.0 110.485 178.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.15 -155.29 29.54 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.646 175.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -81.99 8.75 4.29 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.727 2.285 . . . . 0.0 113.346 -176.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -153.39 38.52 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.887 0.375 . . . . 0.0 111.926 -178.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.68 -64.68 1.13 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.003 0.43 . . . . 0.0 110.104 173.5 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -128.9 56.66 1.66 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.383 0.611 . . . . 0.0 109.544 177.441 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -121.03 53.26 1.15 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.223 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.0 mm -73.01 -63.81 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.705 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -146.92 -107.55 0.09 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.921 -178.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -84.91 2.55 42.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.53 0.681 . . . . 0.0 109.978 174.53 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -78.66 112.93 16.26 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 173.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -83.49 159.62 61.01 Favored Pre-proline 0 C--N 1.318 -0.79 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.707 -175.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.571 ' HB3' HD11 ' A' ' 5' ' ' ILE . 3.7 Cg_exo -78.63 103.93 1.74 Allowed 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 122.456 2.104 . . . . 0.0 110.96 178.048 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.805 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 11.9 m-85 -115.05 124.7 52.26 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.589 -174.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 23.7 m -94.75 100.19 12.15 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 171.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.512 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -92.18 132.52 36.58 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.362 0.601 . . . . 0.0 111.952 -171.858 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -86.95 80.63 8.37 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 171.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.463 ' HA ' ' HB3' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -77.94 118.56 20.36 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.53 -174.703 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.7 mtt -91.39 -179.64 5.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.933 -175.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.95 25.74 2.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.19 -3.28 26.85 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.781 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.99 -59.04 5.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.842 0.353 . . . . 0.0 111.412 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -141.92 41.88 1.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 176.241 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.2 m 59.32 -102.68 0.15 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.19 -177.633 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.463 ' HB3' ' HA ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -149.14 131.09 15.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.086 0.47 . . . . 0.0 111.078 -178.9 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -104.42 118.46 5.95 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 175.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.805 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 0.1 OUTLIER -100.78 141.8 33.14 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.179 0.514 . . . . 0.0 111.877 -172.207 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 57' ' ' SER . 1.7 t -116.98 153.49 18.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.352 -0.84 . . . . 0.0 108.961 172.013 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.5 t -69.45 110.24 2.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.829 0.347 . . . . 0.0 110.498 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.66 101.9 1.7 Allowed Glycine 0 N--CA 1.443 -0.836 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.925 -178.209 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -68.56 125.25 25.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 120.721 0.296 . . . . 0.0 110.554 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.2 mt -56.38 123.78 8.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.163 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.88 -8.77 54.64 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.855 176.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.38 -1.81 46.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 117.035 0.418 . . . . 0.0 111.647 -176.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.801 ' HG3' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER 67.61 146.29 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.697 0.623 . . . . 0.0 111.35 -178.781 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 4.9 t -109.02 120.18 41.78 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 177.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -99.8 19.55 52.91 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.194 -178.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.45 -152.27 0.4 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.21 118.87 30.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.862 0.363 . . . . 0.0 110.751 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.5 t -79.25 109.17 13.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 177.085 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.437 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 7.7 mmmt -103.53 122.56 45.2 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.955 0.407 . . . . 0.0 110.67 -176.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.6 m -84.5 90.77 7.7 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.951 179.386 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.531 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 4.1 m -124.16 158.25 32.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.617 -176.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 tttm -102.38 -47.9 4.34 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 174.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.787 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 2.9 t70 49.89 -139.38 0.86 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.147 -1.388 . . . . 0.0 111.226 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -143.78 89.64 2.07 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.117 0.484 . . . . 0.0 110.477 176.375 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -86.14 76.79 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.044 177.641 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.18 -18.32 55.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.093 -177.43 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -91.11 138.59 31.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.108 178.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.27 56.58 2.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.369 0.604 . . . . 0.0 110.905 -178.735 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 119.21 88.03 1.13 Allowed Glycine 0 N--CA 1.445 -0.717 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.398 -177.05 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -112.19 153.55 26.89 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.439 ' O ' HG13 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -88.48 -73.83 0.48 Allowed 'General case' 0 N--CA 1.444 -0.736 0 CA-C-O 120.946 0.403 . . . . 0.0 110.114 -179.912 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -104.95 118.83 37.51 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 121.115 0.484 . . . . 0.0 111.328 -176.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.69 119.17 28.21 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.506 174.554 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -85.71 132.71 31.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.567 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.566 HG22 ' H ' ' A' ' 63' ' ' ALA . 25.0 mt -104.7 136.85 36.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -175.564 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.39 17.61 0.82 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.07 177.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.566 ' H ' HG22 ' A' ' 61' ' ' ILE . . . 72.79 -38.39 0.42 Allowed 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.881 0.872 . . . . 0.0 113.055 174.003 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.94 8.22 5.94 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -175.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.787 ' ND2' ' HA ' ' A' ' 49' ' ' ASP . 2.3 m-20 -105.02 2.51 29.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.517 0.675 . . . . 0.0 110.487 179.162 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.531 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 13.0 m -109.21 159.33 17.01 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.738 178.488 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -98.2 -9.59 8.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.052 0.453 . . . . 0.0 110.397 175.256 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.941 0 CA-C-O 117.632 -1.175 . . . . 0.0 108.766 179.705 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.04 134.03 36.18 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.639 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -87.88 104.58 16.74 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 172.697 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.747 ' HB ' HG21 ' A' ' 9' ' ' THR . 4.4 pt -84.62 139.17 17.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.279 0.562 . . . . 0.0 111.665 -172.76 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.8 -164.46 27.0 Favored Glycine 0 N--CA 1.444 -0.823 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 173.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.715 ' HA ' HD12 ' A' ' 36' ' ' ILE . 3.5 Cg_exo -78.16 -29.27 4.19 Favored 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 122.663 2.242 . . . . 0.0 112.215 -178.388 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -100.98 43.15 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.581 -175.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.747 HG21 ' HB ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -78.98 -58.97 2.97 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.014 -178.777 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 97.0 m -106.25 62.87 0.65 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.05 0.452 . . . . 0.0 110.33 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.55 85.02 3.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.299 0.571 . . . . 0.0 111.24 -178.508 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mt -131.36 -52.01 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.575 0.702 . . . . 0.0 109.271 175.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -162.49 -142.93 0.08 Allowed 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 178.193 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -79.79 63.65 4.41 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 171.293 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -109.21 116.67 32.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.169 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.77 132.99 56.09 Favored Pre-proline 0 C--N 1.316 -0.872 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.567 -174.316 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -78.08 98.21 1.19 Allowed 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 122.724 2.283 . . . . 0.0 110.862 176.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.495 ' CD2' ' HB3' ' A' ' 47' ' ' CYS . 37.1 m-85 -93.42 129.89 39.41 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.878 -175.426 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 64.6 m -81.23 101.88 10.0 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.313 174.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.572 ' SG ' ' HB2' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -100.84 128.32 46.93 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.208 0.528 . . . . 0.0 111.596 -174.206 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.9 129.8 40.49 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.406 -0.816 . . . . 0.0 108.919 171.341 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.22 79.07 4.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.312 0.577 . . . . 0.0 110.634 -177.087 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -78.22 99.89 6.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.081 -178.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.41 108.2 17.75 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.483 -176.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.58 -10.99 11.3 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.658 -176.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.65 142.18 50.39 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.17 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.38 -38.9 29.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.932 0.396 . . . . 0.0 110.779 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.0 104.79 7.69 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.569 178.547 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.572 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -89.19 144.66 25.95 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.974 0.416 . . . . 0.0 110.119 178.043 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.726 ' HA3' ' HE2' ' A' ' 58' ' ' PHE . . . -83.65 101.44 2.37 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.933 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.472 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 0.8 OUTLIER -106.47 111.01 23.39 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.859 0.361 . . . . 0.0 110.672 -176.003 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.746 HG13 ' HB2' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -101.67 135.24 39.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 176.554 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.3 p -58.17 125.85 14.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.165 0.507 . . . . 0.0 111.827 -174.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.54 133.75 30.29 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.633 176.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.405 ' O ' ' HB ' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -89.17 -0.76 8.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.608 0.242 . . . . 0.0 111.344 -175.52 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.715 HD12 ' HA ' ' A' ' 7' ' ' PRO . 44.1 mm 71.84 113.32 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.713 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.19 18.63 52.97 Favored Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 -174.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.19 162.57 18.01 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.354 -0.423 . . . . 0.0 110.591 -177.22 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.493 ' H ' ' HG2' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -92.08 122.07 34.23 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 175.783 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.416 ' SG ' HG21 ' A' ' 5' ' ' ILE . 0.8 OUTLIER -72.92 -16.12 61.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.723 -175.544 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.77 -49.16 4.19 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.973 176.34 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -134.94 -120.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.71 0.29 . . . . 0.0 111.404 -178.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.39 123.21 32.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.03 0.443 . . . . 0.0 111.571 -174.565 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.2 t -83.16 124.93 39.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.917 175.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -117.44 130.19 56.31 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.94 0.4 . . . . 0.0 111.17 -178.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 72.6 m -85.5 93.4 8.77 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 174.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.761 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 3.7 t -115.83 151.78 34.6 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.772 -170.356 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.26 41.62 1.39 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.654 174.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -65.57 136.64 56.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.556 178.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.52 77.53 4.39 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.401 ' H ' HG22 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -34.47 109.47 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 O-C-N 124.556 1.16 . . . . 0.0 112.466 -178.448 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.21 172.44 7.07 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.797 -176.797 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.47 -3.65 47.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.983 0.421 . . . . 0.0 111.293 -178.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.85 -8.34 58.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.816 -175.573 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -75.01 128.24 9.87 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.587 -0.816 . . . . 0.0 111.922 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.433 ' HB3' ' H ' ' A' ' 57' ' ' SER . 33.5 t30 -82.3 -97.49 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.602 0.239 . . . . 0.0 110.4 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.433 ' H ' ' HB3' ' A' ' 56' ' ' ASN . 1.0 OUTLIER -84.12 -39.95 18.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.0 0.429 . . . . 0.0 110.378 177.365 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.746 ' HB2' HG13 ' A' ' 32' ' ' VAL . 1.0 OUTLIER -153.13 156.66 39.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.116 179.367 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.81 102.91 15.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.226 0.536 . . . . 0.0 111.796 -173.156 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.465 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -86.39 93.32 3.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 174.474 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -88.87 172.28 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.155 0.503 . . . . 0.0 112.05 -172.236 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.96 -2.92 57.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.581 -176.612 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 74.0 -20.96 0.29 Allowed 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 172.316 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.67 -3.56 44.7 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -173.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -97.63 -14.42 20.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.21 0.528 . . . . 0.0 110.612 178.211 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.761 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 1.9 m -80.98 149.17 29.44 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.547 173.142 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.1 m -100.49 -18.78 6.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-O 121.08 0.467 . . . . 0.0 110.849 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.486 178.874 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.511 ' HA ' ' HA2' ' A' ' 41' ' ' GLY . . . . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.946 0.403 . . . . 0.0 110.401 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.32 128.55 46.36 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.708 -179.626 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.47 93.61 9.6 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.347 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -72.82 141.42 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.178 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -109.68 -122.96 4.58 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.535 -0.84 . . . . 0.0 111.961 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -78.47 78.23 3.72 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.705 2.27 . . . . 0.0 112.613 -178.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.502 ' OD1' ' HD3' ' A' ' 17' ' ' PRO . 22.1 t-20 59.1 87.25 0.08 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.927 174.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.29 -7.72 58.51 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.486 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.418 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . 44.1 m -134.2 51.08 2.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.578 -178.206 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.8 -56.48 6.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.757 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.411 ' HB ' ' CD1' ' A' ' 15' ' ' TYR . 5.0 mt 45.82 -106.41 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.372 -177.291 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -92.18 -77.32 0.44 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 178.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -140.26 50.58 1.7 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.952 0.882 . . . . 0.0 108.968 171.234 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.411 ' CD1' ' HB ' ' A' ' 12' ' ' ILE . 85.8 m-85 -98.14 171.0 8.51 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.951 -176.611 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.38 152.4 73.15 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.195 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.502 ' HD3' ' OD1' ' A' ' 8' ' ' ASN . 74.2 Cg_endo -79.93 114.57 3.17 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.562 2.174 . . . . 0.0 112.019 178.442 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.697 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 49.4 m-85 -125.26 113.98 18.34 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.431 -178.527 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -79.93 113.06 17.8 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 175.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.497 ' O ' ' HB1' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -109.97 147.27 33.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.159 0.504 . . . . 0.0 112.299 -172.51 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.406 ' HB2' ' H ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -118.18 -154.63 0.57 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.364 -0.834 . . . . 0.0 108.949 174.268 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.406 ' H ' ' HB2' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -126.79 135.51 51.14 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.609 0.242 . . . . 0.0 110.833 -179.624 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' A' ' 29' ' ' LEU . 30.6 mmt -94.74 134.55 37.22 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 176.484 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.57 -62.18 1.71 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.704 -175.549 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.67 -37.31 6.52 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.664 -176.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.87 137.33 40.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.792 0.329 . . . . 0.0 110.699 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.45 71.25 9.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.077 0.465 . . . . 0.0 110.835 -179.39 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.2 m -161.09 179.77 8.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.916 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.439 ' O ' ' HG2' ' A' ' 23' ' ' MET . 1.0 OUTLIER -98.19 -69.24 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.036 0.446 . . . . 0.0 110.897 -178.87 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.704 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 107.7 95.35 2.39 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -176.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.697 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 0.8 OUTLIER -114.57 152.63 31.46 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.886 0.374 . . . . 0.0 111.289 -173.257 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.7 t -120.21 138.43 50.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 171.189 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.0 p -79.42 134.38 27.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.12 0.486 . . . . 0.0 110.935 -177.214 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.33 118.6 13.19 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.932 176.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.495 ' O ' ' HB ' ' A' ' 36' ' ' ILE . 0.6 OUTLIER -90.0 0.75 8.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 120.685 0.279 . . . . 0.0 110.712 -176.846 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.495 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 64.1 mt 77.35 113.88 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.995 -177.01 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.19 20.7 54.49 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 -175.038 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.31 130.25 54.19 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.925 0.393 . . . . 0.0 111.327 -175.059 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.16 93.03 9.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.445 178.625 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.455 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 99.1 m -79.92 117.33 20.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.109 178.504 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.511 ' HA2' ' HA ' ' A' ' 2' ' ' ALA . . . -79.06 -28.02 54.87 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.663 -0.779 . . . . 0.0 111.199 177.194 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.497 ' HB1' ' O ' ' A' ' 20' ' ' CYS . . . -79.53 154.37 28.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.54 -0.33 . . . . 0.0 110.143 176.652 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.51 123.1 15.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.966 0.412 . . . . 0.0 111.341 -176.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.466 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 3.9 t -76.39 121.83 29.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.785 -178.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.419 ' HG3' ' HB2' ' A' ' 20' ' ' CYS . 0.4 OUTLIER -116.56 154.5 30.34 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.272 178.75 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.573 ' HB2' ' HB3' ' A' ' 68' ' ' ALA . 2.8 m -103.11 97.34 7.45 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.159 0.504 . . . . 0.0 110.089 176.776 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.582 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 48.1 m -107.2 155.98 19.33 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.436 -178.313 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -88.07 -33.56 18.26 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 174.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.458 ' CG ' ' H ' ' A' ' 50' ' ' ASP . 4.9 t70 56.7 -156.44 0.29 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-N 114.729 -1.123 . . . . 0.0 111.084 -179.153 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.458 ' H ' ' CG ' ' A' ' 49' ' ' ASP . 7.6 t0 -144.12 57.84 1.34 Allowed 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 176.311 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.426 ' H ' HG22 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -58.13 123.2 9.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 114.858 -1.064 . . . . 0.0 111.707 -174.32 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.43 -32.17 11.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.488 178.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -157.88 -96.29 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.095 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.21 -35.34 9.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.086 0.47 . . . . 0.0 111.012 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 104.27 -140.37 14.93 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.093 -178.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -150.28 171.39 17.03 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -176.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.64 -13.66 59.85 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.092 0.472 . . . . 0.0 110.538 -178.561 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -147.92 95.88 2.56 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.993 175.719 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.444 HD13 ' HE1' ' A' ' 18' ' ' TYR . 2.2 mp -90.53 92.84 9.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.869 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.704 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 2.6 mp -79.65 80.92 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.555 0.693 . . . . 0.0 110.391 -179.522 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.432 ' H ' HG13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -100.53 -167.48 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.732 178.63 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.85 165.93 21.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.207 179.586 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.5 23.81 0.39 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.846 -175.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.78 -27.71 40.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.827 -178.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.445 ' OD1' ' HB3' ' A' ' 47' ' ' CYS . 18.6 p30 -112.3 -7.96 13.96 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.154 0.502 . . . . 0.0 110.949 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.582 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 56.0 m -82.05 105.76 13.41 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.737 176.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -82.32 -15.28 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.311 0.577 . . . . 0.0 110.524 178.526 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.573 ' HB3' ' HB2' ' A' ' 46' ' ' CYS . . . . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.737 -0.649 . . . . 0.0 110.185 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.682 ' HA ' ' HA2' ' A' ' 41' ' ' GLY . . . . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.9 134.48 49.36 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.018 0.437 . . . . 0.0 111.037 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.575 HG23 ' HG2' ' A' ' 39' ' ' GLN . 0.2 OUTLIER -89.35 109.47 20.37 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.158 178.719 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.44 ' O ' HG13 ' A' ' 5' ' ' ILE . 1.0 OUTLIER -92.81 147.87 5.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.428 -179.541 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -116.91 -146.27 8.37 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.478 -177.355 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -80.78 -24.22 5.11 Favored 'Trans proline' 0 CA--C 1.529 0.236 0 C-N-CA 122.742 2.294 . . . . 0.0 112.997 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -126.13 43.84 2.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.121 0.486 . . . . 0.0 111.285 -175.076 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.474 ' HB ' ' HB3' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -79.65 2.62 21.85 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.134 0.492 . . . . 0.0 110.838 177.031 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.0 t -141.89 74.26 1.45 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.737 178.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.68 51.56 1.91 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.043 -179.251 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.7 mt -134.68 96.18 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.34 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 t70 57.38 -131.28 1.49 Allowed 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.147 175.184 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -109.74 55.16 0.64 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.626 0.726 . . . . 0.0 109.872 177.241 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -105.65 159.33 16.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.618 176.203 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.722 ' HE3' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -114.6 150.74 44.42 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-O 120.66 0.266 . . . . 0.0 110.823 -174.873 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.474 ' HB3' ' HB ' ' A' ' 9' ' ' THR . 5.8 Cg_exo -78.75 110.71 2.85 Favored 'Trans proline' 0 N--CA 1.455 -0.766 0 C-N-CA 122.715 2.277 . . . . 0.0 110.964 177.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.875 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 19.7 m-85 -113.65 137.49 51.53 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.607 -175.663 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.455 ' HB3' ' HB3' ' A' ' 40' ' ' CYS . 4.0 m -103.96 86.46 2.59 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.341 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.76 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 3.9 m -96.16 135.33 38.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.986 -172.042 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -74.3 110.36 8.53 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 173.177 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -93.93 91.2 6.79 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.147 0.499 . . . . 0.0 110.207 -178.703 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.11 153.74 25.91 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.898 -178.492 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.7 m -87.25 141.78 28.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.691 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.23 -55.09 4.93 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.13 -178.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.8 132.74 34.8 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.986 0.422 . . . . 0.0 110.782 178.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -113.75 54.91 0.73 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.117 0.484 . . . . 0.0 110.525 -179.126 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.8 -22.62 18.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.399 -178.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.465 ' HB3' ' HB ' ' A' ' 61' ' ' ILE . 0.1 OUTLIER 53.07 69.49 0.69 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.0 0.429 . . . . 0.0 110.876 -177.655 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -74.53 94.84 0.86 Allowed Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.875 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 4.2 t -108.58 150.13 27.92 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -168.576 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.4 t -118.46 147.17 22.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.956 172.099 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.8 t -71.27 125.9 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.638 0.256 . . . . 0.0 111.033 -178.459 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -92.2 125.3 8.04 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.861 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -103.69 171.31 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.228 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.9 mp -63.34 109.02 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.827 0.346 . . . . 0.0 110.906 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.5 43.01 3.27 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.485 178.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.2 m -110.79 131.79 54.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.859 0.361 . . . . 0.0 110.877 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.575 ' HG2' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -97.42 71.33 2.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.026 -0.533 . . . . 0.0 109.761 179.47 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.455 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 30.0 m -71.16 120.52 16.85 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.009 -176.352 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.682 ' HA2' ' HA ' ' A' ' 2' ' ' ALA . . . -86.58 52.08 4.42 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.154 178.53 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -153.67 -160.59 1.13 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 -179.48 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.76 126.19 34.43 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.871 0.367 . . . . 0.0 110.707 179.195 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.2 t -79.67 118.28 26.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.38 151.93 37.67 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.23 0.538 . . . . 0.0 111.498 -174.5 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -108.52 98.04 7.62 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.325 175.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 50.5 m -133.79 163.15 30.13 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.079 0.466 . . . . 0.0 111.382 -175.031 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.722 ' HG2' ' HE3' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -114.87 -50.31 2.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.319 172.73 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.3 t70 50.5 -138.88 0.96 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.637 -175.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -135.88 100.65 4.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.893 0.378 . . . . 0.0 110.391 177.347 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.65 97.5 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.34 -179.441 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.26 -67.4 0.76 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.374 179.165 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -101.11 139.34 36.93 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 175.141 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.29 -9.41 59.22 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.268 0.556 . . . . 0.0 110.278 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -117.53 60.38 0.46 Allowed Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 174.168 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.648 HD22 ' HG ' ' A' ' 59' ' ' LEU . 3.5 t30 -105.7 111.12 23.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.894 0.378 . . . . 0.0 110.648 -178.528 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.33 -9.25 59.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.638 -177.356 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -152.94 107.44 3.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.876 0.37 . . . . 0.0 110.808 177.278 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.648 ' HG ' HD22 ' A' ' 56' ' ' ASN . 0.5 OUTLIER -106.38 125.04 50.51 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.057 178.762 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 22.5 mm -81.96 109.87 16.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 171.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.465 ' HB ' ' HB3' ' A' ' 29' ' ' LEU . 55.2 mt -99.84 138.34 24.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.229 0.537 . . . . 0.0 111.711 -171.768 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -79.49 126.0 30.29 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.37 173.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.44 -22.35 61.35 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -175.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.05 -13.61 59.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.445 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -98.4 18.19 17.09 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.404 0.621 . . . . 0.0 110.512 -177.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 97.3 m -114.5 161.25 18.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.066 175.109 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.2 t -79.37 -46.83 22.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.35 0.595 . . . . 0.0 109.703 175.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.948 0 CA-C-O 117.837 -1.078 . . . . 0.0 108.988 178.786 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.259 0 CA-C-O 120.55 0.214 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.79 118.67 21.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.031 0.443 . . . . 0.0 110.525 177.198 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.1 93.3 7.74 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.833 -179.521 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.464 HG13 ' N ' ' A' ' 6' ' ' GLY . 0.0 OUTLIER -79.01 134.4 27.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.894 -174.763 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.464 ' N ' HG13 ' A' ' 5' ' ' ILE . . . -129.4 -160.26 10.15 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.403 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -82.56 5.65 6.26 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.744 2.296 . . . . 0.0 112.88 -177.207 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -143.15 30.68 1.41 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.758 0.313 . . . . 0.0 111.475 -176.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.2 m -79.47 -22.84 43.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.029 0.442 . . . . 0.0 110.744 176.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.507 ' HB2' ' HG3' ' A' ' 17' ' ' PRO . 1.2 m -122.38 -96.39 0.47 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.96 177.074 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 m 60.3 28.67 18.29 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 174.13 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.6 mt -70.57 -33.68 54.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.194 0.521 . . . . 0.0 109.724 176.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.436 ' C ' ' H ' ' A' ' 15' ' ' TYR . 23.5 t70 177.2 -124.96 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 114.986 -1.006 . . . . 0.0 108.624 178.155 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -80.64 20.95 0.69 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.788 0.804 . . . . 0.0 109.724 173.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.881 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . 86.2 m-85 -91.8 102.0 14.6 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.698 177.234 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -79.42 151.24 74.69 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.843 -178.854 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.507 ' HG3' ' HB2' ' A' ' 10' ' ' CYS . 5.8 Cg_exo -79.11 117.15 3.79 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 123.11 2.54 . . . . 0.0 112.048 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.487 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 47.4 m-85 -125.76 135.34 51.94 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.932 -178.447 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.2 93.01 8.56 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.644 177.607 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.696 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -81.97 109.94 16.78 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.296 0.569 . . . . 0.0 111.883 -173.324 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -81.68 112.1 18.56 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.812 172.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.2 m -79.37 104.58 10.08 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.14 142.53 31.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.094 -174.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.13 127.32 45.07 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.783 178.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.35 -57.36 3.9 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.251 -175.361 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.78 108.67 9.97 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 175.183 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.13 68.8 5.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.122 0.487 . . . . 0.0 110.891 -177.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 m -147.35 150.83 35.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.375 178.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 67.2 mt -96.74 112.03 23.95 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.33 -179.292 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.461 ' HA2' ' HE2' ' A' ' 58' ' ' PHE . . . -84.06 68.98 3.43 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 178.72 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.696 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -86.02 83.28 7.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.367 0.603 . . . . 0.0 110.42 -174.214 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.438 HG13 ' HB2' ' A' ' 58' ' ' PHE . 1.6 t -68.37 132.63 32.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.256 178.552 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.434 ' HA ' ' CD1' ' A' ' 18' ' ' TYR . 7.3 p -59.71 130.19 23.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-O 121.096 0.474 . . . . 0.0 110.672 -177.57 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.43 ' HA3' HD13 ' A' ' 5' ' ' ILE . . . -73.38 120.6 7.13 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.485 -177.715 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -90.1 124.51 42.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 177.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.4 mt -62.63 123.62 15.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.205 -178.347 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.73 39.19 7.2 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.145 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.91 159.18 42.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.909 0.385 . . . . 0.0 111.117 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -92.07 93.06 8.55 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 177.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.73 -64.02 1.09 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.411 -177.736 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.03 -45.16 1.71 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.953 -0.642 . . . . 0.0 111.97 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.52 -179.88 7.57 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.945 0.402 . . . . 0.0 111.086 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.18 98.91 4.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.148 -179.394 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.7 t -75.27 113.22 13.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.106 176.414 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.607 ' HD2' ' HB3' ' A' ' 66' ' ' CYS . 0.3 OUTLIER -125.55 173.46 8.93 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.038 179.777 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.881 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 35.8 m -99.96 132.93 45.02 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.982 0.42 . . . . 0.0 110.64 -178.112 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 36.3 m -129.63 139.21 51.49 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.547 178.473 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.78 48.12 1.59 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.627 0.727 . . . . 0.0 109.271 174.583 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.478 ' HB2' HG21 ' A' ' 61' ' ' ILE . 1.5 t70 -82.68 119.88 24.87 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 175.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.67 70.54 7.79 Favored 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 120.51 -0.476 . . . . 0.0 109.772 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 p -51.27 102.14 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 114.777 -1.101 . . . . 0.0 111.824 -177.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.29 -35.31 5.02 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.113 -0.949 . . . . 0.0 108.655 173.547 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -106.21 115.37 30.11 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 114.835 -1.075 . . . . 0.0 108.537 174.252 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.55 140.74 38.49 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.847 0.356 . . . . 0.0 111.101 -175.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -66.75 160.91 47.16 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.694 177.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -78.75 -58.61 3.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.697 0.284 . . . . 0.0 110.36 -176.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.76 -43.41 8.63 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.351 0.596 . . . . 0.0 109.873 174.746 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.461 ' HE2' ' HA2' ' A' ' 30' ' ' GLY . 23.3 p90 -160.17 -174.45 4.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.303 177.032 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.12 130.92 47.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.139 0.495 . . . . 0.0 111.476 -175.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.8 mp -123.94 99.71 6.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.284 175.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.478 HG21 ' HB2' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -102.45 -164.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.105 -175.571 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.467 ' H ' HG22 ' A' ' 61' ' ' ILE . 6.1 t-20 -99.39 161.13 13.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.077 -179.114 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.34 9.24 4.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.121 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.95 -28.8 13.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.285 176.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -77.34 -48.6 16.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.81 177.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.607 ' HB3' ' HD2' ' A' ' 45' ' ' LYS . 96.1 m -78.98 133.27 36.86 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.739 177.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.445 ' HB ' ' H ' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -101.66 -114.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.57 -0.287 . . . . 0.0 110.696 178.859 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.445 ' H ' ' HB ' ' A' ' 67' ' ' VAL . . . . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.51 -0.757 . . . . 0.0 111.372 -175.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.193 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.29 -39.28 33.29 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -174.306 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.5 m 56.54 72.39 0.51 Allowed 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.31 0.576 . . . . 0.0 110.356 -174.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.627 HD12 ' O ' ' A' ' 6' ' ' GLY . 1.8 pt -87.59 167.61 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.512 -175.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.627 ' O ' HD12 ' A' ' 5' ' ' ILE . . . -88.96 -173.93 46.65 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 110.576 -1.01 . . . . 0.0 110.576 171.364 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -78.15 9.45 3.07 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.205 1.937 . . . . 0.0 113.017 -175.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -169.93 84.98 0.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.708 178.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.4 -38.45 34.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.78 0.324 . . . . 0.0 111.527 179.212 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.413 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . 78.4 m -119.62 122.13 40.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.245 -179.501 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.07 40.59 1.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.087 0.47 . . . . 0.0 110.413 -178.495 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.5 mp -66.64 -52.48 45.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.555 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -157.93 -108.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.157 -178.185 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.4 -14.09 50.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.384 0.611 . . . . 0.0 109.822 176.622 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -79.85 114.32 18.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.987 -177.089 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.723 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 26.3 mmtm -100.88 176.76 1.75 Allowed Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.666 -179.046 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.723 ' HD2' ' HB3' ' A' ' 16' ' ' LYS . 60.8 Cg_endo -76.62 121.2 5.85 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 121.496 1.464 . . . . 0.0 111.868 178.133 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.765 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 2.6 m-85 -121.16 110.2 15.91 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.693 -176.731 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.4 ' HB3' ' HB2' ' A' ' 40' ' ' CYS . 67.3 m -79.9 97.33 6.67 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 175.15 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.633 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 4.3 m -94.01 113.68 25.71 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.941 -170.278 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -86.3 105.32 16.58 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 172.319 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.83 124.41 27.95 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.629 -176.079 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 20.3 mmt -79.62 95.97 6.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.962 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.61 113.63 1.7 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.357 -177.4 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.11 -57.0 0.53 Allowed Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.916 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.28 -19.5 31.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.432 0.158 . . . . 0.0 111.38 -177.066 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 67.67 21.71 9.24 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.99 177.048 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.21 139.64 30.87 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 175.389 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.64 ' HB3' HG13 ' A' ' 61' ' ' ILE . 1.8 tp -96.76 98.19 9.94 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.919 0.39 . . . . 0.0 110.756 -178.187 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.54 75.65 2.35 Favored Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 110.603 -0.999 . . . . 0.0 110.603 177.138 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.765 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 0.3 OUTLIER -86.98 149.2 24.94 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.305 0.574 . . . . 0.0 112.034 -171.558 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.9 t -122.37 131.39 73.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.113 172.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.1 t -63.52 123.22 15.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.737 0.304 . . . . 0.0 110.303 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.49 134.38 19.23 Favored Glycine 0 N--CA 1.442 -0.929 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.891 -178.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.52 ' HB ' ' H ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -133.99 -144.85 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 120.843 0.354 . . . . 0.0 110.309 -179.492 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.52 ' H ' ' HB ' ' A' ' 35' ' ' VAL . 1.3 mp -78.51 115.94 21.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 120.816 0.341 . . . . 0.0 111.623 -175.444 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.57 24.96 76.14 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.9 -0.591 . . . . 0.0 113.192 174.208 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.2 m -69.17 112.44 5.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.267 0.556 . . . . 0.0 111.044 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.98 58.41 1.58 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.042 178.319 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.4 ' HB2' ' HB3' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -64.34 128.79 37.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.795 -178.784 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.58 53.19 3.4 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.902 178.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -160.57 -174.32 4.4 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 -177.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.78 136.78 36.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.815 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.5 t -101.41 126.11 55.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.798 0.332 . . . . 0.0 110.382 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -120.79 -177.09 3.39 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.699 179.033 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.521 ' HA ' ' O ' ' A' ' 16' ' ' LYS . 3.2 m -123.0 99.84 6.58 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.881 0.372 . . . . 0.0 110.067 178.368 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.64 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 0.3 OUTLIER -128.44 173.08 10.53 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.597 -175.669 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -124.49 -72.96 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 178.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.451 ' CG ' ' HB2' ' A' ' 65' ' ' ASN . 5.6 m-20 57.56 -134.13 1.18 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.51 -1.223 . . . . 0.0 111.984 170.29 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.516 ' CG ' ' HB3' ' A' ' 53' ' ' ASN . 0.2 OUTLIER -90.01 32.05 0.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.778 -171.724 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.434 ' HB ' ' OH ' ' A' ' 18' ' ' TYR . 9.4 p -63.59 -36.43 76.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-O 120.937 0.399 . . . . 0.0 111.315 -178.389 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.5 23.65 11.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.981 0.419 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.516 ' HB3' ' CG ' ' A' ' 50' ' ' ASP . 40.1 t30 -132.06 -98.81 0.3 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.359 -175.362 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.408 ' H ' ' HB3' ' A' ' 53' ' ' ASN . 0.2 OUTLIER -111.09 44.95 1.22 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.969 0.414 . . . . 0.0 111.395 -176.39 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -150.45 141.5 8.79 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.331 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -157.48 -50.87 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.867 0.365 . . . . 0.0 110.388 176.297 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.23 -38.1 11.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.136 0.493 . . . . 0.0 110.16 178.681 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.15 126.11 22.65 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.633 -177.677 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.41 ' HA ' HD13 ' A' ' 59' ' ' LEU . 2.9 mm? -113.71 89.86 3.2 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.195 -178.553 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.6 mp -79.62 81.07 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 176.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.64 HG13 ' HB3' ' A' ' 29' ' ' LEU . 6.6 pt -95.7 172.59 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.703 -170.767 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -107.76 3.15 24.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.667 177.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.476 ' HB2' ' CD2' ' A' ' 29' ' ' LEU . . . 61.32 21.79 12.26 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.946 -174.715 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.57 -23.65 45.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.159 0.504 . . . . 0.0 110.321 -176.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.451 ' HB2' ' CG ' ' A' ' 49' ' ' ASP . 12.5 m-80 -109.63 16.3 22.25 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.667 177.409 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.64 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 4.2 t -95.0 136.2 35.6 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.129 177.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.1 p -96.12 -10.18 9.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.047 0.451 . . . . 0.0 111.23 -176.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.931 0 CA-C-O 119.038 -0.505 . . . . 0.0 110.075 -178.044 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.452 ' HA ' ' HA2' ' A' ' 41' ' ' GLY . . . . . . . . 0 N--CA 1.45 -0.442 0 CA-C-O 120.921 0.391 . . . . 0.0 110.67 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.7 m -78.59 -31.6 47.27 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.494 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.796 ' HA ' ' H ' ' A' ' 40' ' ' CYS . 2.0 m 70.22 169.08 0.31 Allowed 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.537 -178.407 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.561 HG22 HG21 ' A' ' 9' ' ' THR . 16.1 pt -121.65 140.47 45.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.065 -178.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.82 -160.04 19.64 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.351 177.562 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.14 -17.86 13.15 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.339 2.026 . . . . 0.0 112.637 -176.431 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -143.45 78.02 1.58 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.958 0.409 . . . . 0.0 110.313 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.561 HG21 HG22 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -94.67 -94.28 0.18 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.408 176.383 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.33 83.41 5.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.026 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.3 m -123.78 79.07 1.67 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.162 0.506 . . . . 0.0 110.338 -178.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.484 HG22 ' H ' ' A' ' 13' ' ' ASP . 0.5 OUTLIER -101.06 -163.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.505 -179.759 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.484 ' H ' HG22 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -53.78 -60.24 3.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.572 -177.561 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -139.55 25.4 2.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.527 0.68 . . . . 0.0 111.07 179.196 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -109.96 126.9 54.4 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.692 178.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -107.07 157.66 34.84 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.81 -173.277 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -79.12 107.47 2.22 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 122.854 2.369 . . . . 0.0 111.614 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -113.13 130.16 56.28 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.586 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 68.5 m -79.92 74.21 6.67 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 176.378 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 67.5 m -79.99 114.86 19.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.387 -176.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -78.65 135.67 37.27 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 173.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.72 105.76 11.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.063 0.459 . . . . 0.0 110.716 -177.187 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.81 129.64 34.65 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.039 -179.475 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.87 -38.36 37.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.537 -176.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.6 41.94 2.05 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.408 -178.029 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.0 m -151.53 144.38 24.44 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 122.661 -0.317 . . . . 0.0 110.192 177.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.12 -21.68 33.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.96 0.409 . . . . 0.0 110.581 178.359 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.38 171.36 9.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.63 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 mt -116.8 148.15 41.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.816 0.341 . . . . 0.0 110.974 -178.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -107.16 102.75 1.88 Allowed Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 110.631 -0.988 . . . . 0.0 110.631 176.684 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.609 ' SG ' HD12 ' A' ' 61' ' ' ILE . 1.8 m -122.75 145.99 47.91 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.17 0.51 . . . . 0.0 112.021 -171.72 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.7 t -104.63 147.23 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 170.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.2 t -66.91 121.11 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.79 0.329 . . . . 0.0 110.379 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -78.3 131.54 10.97 Favored Glycine 0 N--CA 1.442 -0.939 0 CA-C-N 115.873 -0.603 . . . . 0.0 113.034 -177.172 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.48 -175.09 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 176.007 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.405 ' H ' HG13 ' A' ' 36' ' ' ILE . 3.6 mt -69.72 86.67 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.054 0.454 . . . . 0.0 110.447 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.37 40.07 3.31 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.881 179.227 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 p -83.34 -2.62 56.18 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 122.641 -0.329 . . . . 0.0 111.081 177.684 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.432 ' HA ' HG23 ' A' ' 4' ' ' THR . 0.8 OUTLIER 62.42 95.71 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.047 -176.197 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.796 ' H ' ' HA ' ' A' ' 4' ' ' THR . 0.1 OUTLIER -105.06 91.38 3.78 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.371 -178.698 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.452 ' HA2' ' HA ' ' A' ' 2' ' ' ALA . . . -100.21 60.76 0.69 Allowed Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 174.229 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -147.92 -158.43 0.91 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.527 0.203 . . . . 0.0 110.774 -175.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.14 -24.29 35.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.132 -179.73 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.7 t 62.24 102.29 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-O 121.068 0.461 . . . . 0.0 110.548 -176.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.632 ' HE3' ' SG ' ' A' ' 66' ' ' CYS . 27.1 mtpp -123.75 157.01 34.98 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.82 0.343 . . . . 0.0 110.937 -175.138 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.86 81.52 1.5 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.383 0.611 . . . . 0.0 109.863 -178.447 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.417 ' HB2' HD13 ' A' ' 61' ' ' ILE . 3.6 m -99.95 143.82 29.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.949 -176.19 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.37 64.34 3.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.031 0.443 . . . . 0.0 110.058 177.734 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -93.11 178.18 5.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.511 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -94.79 125.77 39.67 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.119 0.485 . . . . 0.0 111.76 -172.34 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.9 p -87.94 -10.14 10.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.646 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.33 -6.51 56.9 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.54 178.33 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -78.64 -68.76 0.62 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.981 179.076 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.71 -81.14 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.781 0.324 . . . . 0.0 111.166 177.745 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.488 ' H ' ' HG ' ' A' ' 59' ' ' LEU . . . 70.05 26.77 73.86 Favored Glycine 0 N--CA 1.451 -0.35 0 N-CA-C 111.362 -0.695 . . . . 0.0 111.362 -176.191 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.479 ' HB3' ' H ' ' A' ' 57' ' ' SER . 20.9 t30 -101.01 -98.59 0.26 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.721 -0.24 . . . . 0.0 110.901 -174.811 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.479 ' H ' ' HB3' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -79.76 -40.6 28.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.1 0.476 . . . . 0.0 110.782 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -150.41 154.9 38.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.327 -178.638 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.488 ' HG ' ' H ' ' A' ' 55' ' ' GLY . 1.5 mt -139.06 114.72 9.91 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.973 175.21 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.8 mp -81.42 105.41 11.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 175.369 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.609 HD12 ' SG ' ' A' ' 31' ' ' CYS . 11.9 mt -86.78 136.43 22.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.117 -174.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.599 ' HB3' ' OD1' ' A' ' 65' ' ' ASN . 53.5 t30 -80.34 136.08 36.32 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.203 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.83 -5.0 35.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.984 -175.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.89 -44.9 19.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.797 0.332 . . . . 0.0 110.937 179.328 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.599 ' OD1' ' HB3' ' A' ' 62' ' ' ASN . 1.8 p-10 -93.57 -9.97 36.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.946 0.403 . . . . 0.0 111.461 -176.373 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.632 ' SG ' ' HE3' ' A' ' 45' ' ' LYS . 38.4 t -89.07 106.07 18.2 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 172.192 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -79.81 -47.34 21.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.578 -175.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.46 -0.781 . . . . 0.0 110.198 -179.893 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.452 ' HA ' ' HA2' ' A' ' 41' ' ' GLY . . . . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.99 0.424 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.29 135.92 53.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.557 178.676 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.05 119.56 31.86 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.367 -0.235 . . . . 0.0 110.367 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.4 pt -99.51 162.66 2.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.863 0.363 . . . . 0.0 111.204 -178.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.26 -156.56 29.73 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.958 -175.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.457 ' HA ' ' CG1' ' A' ' 36' ' ' ILE . 70.4 Cg_endo -78.4 -29.27 3.96 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.571 2.181 . . . . 0.0 112.392 -179.633 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -146.02 85.48 1.68 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.651 0.739 . . . . 0.0 110.039 178.183 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.33 -29.71 47.78 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.638 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -136.05 -93.36 0.26 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.724 176.212 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m 59.48 52.61 5.66 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 123.374 0.421 . . . . 0.0 111.457 176.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.5 mp -62.79 -65.92 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-O 121.199 0.523 . . . . 0.0 109.746 176.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -117.73 -74.71 0.6 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 170.111 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.758 ' HB3' ' HG3' ' A' ' 48' ' ' LYS . 5.8 t0 -127.73 23.62 6.21 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.765 0.793 . . . . 0.0 108.869 169.283 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.551 ' HD1' ' HB2' ' A' ' 48' ' ' LYS . 2.6 m-30 -80.48 86.98 5.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.89 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.478 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 3.4 mttm -78.24 161.9 68.64 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.449 -177.124 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -78.93 85.97 1.77 Allowed 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 122.763 2.309 . . . . 0.0 111.197 176.064 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.968 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 26.8 m-85 -84.37 140.45 31.56 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.913 -178.406 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.37 96.56 10.04 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 174.402 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.454 ' SG ' ' HB3' ' A' ' 29' ' ' LEU . 1.2 m -98.9 119.4 37.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.232 0.539 . . . . 0.0 112.089 -172.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.45 109.42 3.68 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 171.142 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 m -80.3 102.02 9.28 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.878 -178.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.438 ' HB2' ' O ' ' A' ' 26' ' ' SER . 7.5 mtt -79.19 127.62 32.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.053 -175.362 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.2 -24.25 37.59 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.151 -177.631 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -117.23 18.01 12.37 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.787 -177.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.438 ' O ' ' HB2' ' A' ' 23' ' ' MET . 57.1 m -157.35 141.18 15.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.723 0.297 . . . . 0.0 110.313 178.455 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.08 53.81 1.81 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.2 0.524 . . . . 0.0 110.632 178.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.28 128.97 46.85 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.014 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.454 ' HB3' ' SG ' ' A' ' 20' ' ' CYS . 74.9 mt -87.94 89.23 7.91 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.793 0.33 . . . . 0.0 111.245 -178.029 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -73.14 96.42 0.79 Allowed Glycine 0 CA--C 1.51 -0.268 0 N-CA-C 110.434 -1.066 . . . . 0.0 110.434 174.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.968 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 0.1 OUTLIER -120.87 150.94 40.28 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.482 0.658 . . . . 0.0 112.476 -166.427 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -127.82 142.98 42.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.093 -0.958 . . . . 0.0 108.785 170.023 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.8 p -69.15 126.85 30.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.1 0.476 . . . . 0.0 111.197 -176.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -104.74 133.53 11.59 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.645 177.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -127.8 -169.37 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.911 0.386 . . . . 0.0 111.301 -177.79 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.457 ' CG1' ' HA ' ' A' ' 7' ' ' PRO . 0.7 OUTLIER -56.65 116.02 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.865 -177.045 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.05 1.46 61.3 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.047 -0.596 . . . . 0.0 113.211 175.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 m -81.58 127.32 32.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 117.056 0.428 . . . . 0.0 110.652 -179.023 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -88.3 94.72 9.93 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 176.529 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.11 107.2 5.32 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.837 -177.382 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.452 ' HA2' ' HA ' ' A' ' 2' ' ' ALA . . . -86.69 -4.89 82.3 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.992 -0.623 . . . . 0.0 111.909 177.046 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -111.65 175.73 5.31 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 177.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.37 116.94 11.3 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.042 0.449 . . . . 0.0 110.737 -179.401 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.4 t -70.96 122.64 23.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.519 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.42 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -129.78 134.35 47.53 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.97 179.78 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.478 ' HA ' ' O ' ' A' ' 16' ' ' LYS . 5.0 m -88.53 85.48 6.84 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.106 0.479 . . . . 0.0 110.687 -179.142 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.42 ' SG ' ' HB3' ' A' ' 45' ' ' LYS . 1.4 m -118.43 166.98 12.01 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.275 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.758 ' HG3' ' HB3' ' A' ' 14' ' ' ASP . 0.9 OUTLIER -124.67 -34.0 2.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.694 0.283 . . . . 0.0 110.394 177.769 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.709 ' HB2' HG23 ' A' ' 61' ' ' ILE . 6.1 t70 56.65 -141.38 0.81 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -169.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -134.09 24.66 3.89 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 173.576 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.5 t 45.15 61.91 0.21 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.734 -175.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.05 125.92 30.06 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.224 178.412 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -78.91 54.51 1.58 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.613 0.72 . . . . 0.0 111.657 -172.358 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.78 16.38 11.85 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.203 173.101 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.772 ' HA3' ' HG ' ' A' ' 59' ' ' LEU . . . -136.33 122.98 2.79 Favored Glycine 0 N--CA 1.443 -0.848 0 CA-C-N 115.23 -0.896 . . . . 0.0 112.057 -178.247 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -110.61 -48.89 3.1 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.199 0.523 . . . . 0.0 109.921 176.509 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -118.11 -9.36 10.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.772 177.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -146.28 119.23 8.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.09 178.271 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.772 ' HG ' ' HA3' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -116.35 120.21 38.14 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.103 179.747 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.452 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 3.0 mp -86.98 110.68 20.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.892 -0.411 . . . . 0.0 109.892 178.453 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.709 HG23 ' HB2' ' A' ' 49' ' ' ASP . 1.6 mm -82.68 145.48 8.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.661 -178.632 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -75.97 140.87 42.26 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.8 173.496 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.54 -35.41 74.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 111.811 -176.137 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.67 -5.81 55.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.468 -177.253 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -104.73 27.04 8.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.525 0.679 . . . . 0.0 110.942 -176.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.5 t -136.89 171.07 15.06 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.218 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.512 HG13 ' CE2' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -78.79 -62.06 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.842 0.354 . . . . 0.0 111.129 -178.325 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.931 -0.556 . . . . 0.0 109.991 -179.088 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.978 0.418 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.02 133.09 49.55 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.247 178.564 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.605 HG23 ' HG3' ' A' ' 39' ' ' GLN . 0.1 OUTLIER -84.91 137.32 33.19 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.339 179.162 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.576 HD11 ' HB2' ' A' ' 38' ' ' SER . 0.6 OUTLIER -97.8 109.51 23.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 177.68 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.447 ' HA3' ' HD3' ' A' ' 7' ' ' PRO . . . -88.39 -117.5 1.4 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.162 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.447 ' HD3' ' HA3' ' A' ' 6' ' ' GLY . 5.5 Cg_exo -78.66 72.73 6.26 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 123.06 2.507 . . . . 0.0 111.997 -177.329 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 61.83 103.93 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.897 0.748 . . . . 0.0 111.525 178.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.499 ' HB ' HG22 ' A' ' 5' ' ' ILE . 4.7 m -110.24 61.46 0.6 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.058 0.456 . . . . 0.0 110.667 178.169 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.433 ' SG ' ' HA ' ' A' ' 17' ' ' PRO . 0.9 OUTLIER -160.57 99.92 1.3 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.255 -179.308 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 m -119.63 100.54 7.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.782 178.191 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.585 HD12 ' HB2' ' A' ' 46' ' ' CYS . 51.4 mt -142.72 -55.72 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.43 176.668 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.437 ' CG ' ' H ' ' A' ' 14' ' ' ASP . 29.6 t70 -177.35 -132.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 -179.236 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.437 ' H ' ' CG ' ' A' ' 13' ' ' ASP . 23.5 t0 -79.95 66.46 5.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.65 0.738 . . . . 0.0 109.175 173.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -132.56 135.94 46.27 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.295 -178.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 0.0 OUTLIER -100.55 154.87 36.94 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.692 -175.475 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.433 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 58.5 Cg_endo -76.9 98.4 1.22 Allowed 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.286 1.991 . . . . 0.0 111.64 177.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 1.065 ' HB3' ' HB3' ' A' ' 31' ' ' CYS . 59.5 m-85 -105.22 137.26 43.29 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.82 -177.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -86.28 89.11 7.75 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 172.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.688 ' HB3' HD22 ' A' ' 29' ' ' LEU . 90.9 m -89.09 115.38 26.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.335 -171.065 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.433 ' H ' ' HG2' ' A' ' 21' ' ' GLN . 0.8 OUTLIER -111.44 144.83 40.01 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 171.925 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.21 113.34 16.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.079 0.466 . . . . 0.0 110.833 -175.711 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.6 mmt -82.19 121.23 26.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.638 -176.32 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 m -81.64 80.71 7.91 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.677 -175.291 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.41 -25.05 27.72 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.928 175.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.47 -40.06 77.31 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.283 0.563 . . . . 0.0 110.553 179.333 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -168.46 -153.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.255 -0.884 . . . . 0.0 108.797 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.49 -71.64 0.67 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.957 0.408 . . . . 0.0 110.177 174.676 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.688 HD22 ' HB3' ' A' ' 20' ' ' CYS . 37.0 mt -124.52 124.9 43.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.17 0.509 . . . . 0.0 110.915 -178.405 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.631 ' HA3' ' HE2' ' A' ' 58' ' ' PHE . . . -87.65 76.03 2.05 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 175.59 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 1.065 ' HB3' ' HB3' ' A' ' 18' ' ' TYR . 36.8 m -88.52 102.03 14.52 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.958 0.409 . . . . 0.0 111.609 -173.511 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.634 HG13 ' HB2' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -82.69 138.27 19.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 174.864 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.1 p -64.61 116.09 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.251 0.548 . . . . 0.0 109.893 178.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.73 -43.33 84.92 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.715 -0.675 . . . . 0.0 113.127 -173.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.629 HG12 HG12 ' A' ' 36' ' ' ILE . 2.2 t 56.87 -112.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 -173.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.629 HG12 HG12 ' A' ' 35' ' ' VAL . 1.5 mm -134.19 131.1 55.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.594 0.235 . . . . 0.0 110.902 -178.407 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.2 -33.63 6.3 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.724 -0.75 . . . . 0.0 113.925 169.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.576 ' HB2' HD11 ' A' ' 5' ' ' ILE . 1.2 m -56.81 137.86 54.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.221 0.534 . . . . 0.0 112.217 -177.351 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.605 ' HG3' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -88.7 110.95 21.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.368 178.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.411 ' HB3' HG22 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -83.85 90.74 7.41 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.058 0.456 . . . . 0.0 110.413 179.902 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.17 0.15 80.67 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.964 177.262 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -120.81 -163.5 1.03 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.96 108.25 6.66 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.913 0.387 . . . . 0.0 111.2 -178.472 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.411 HG22 ' HB3' ' A' ' 40' ' ' CYS . 1.4 t -71.72 112.19 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 174.561 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt -129.66 145.73 51.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.189 0.519 . . . . 0.0 111.336 -175.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.585 ' HB2' HD12 ' A' ' 12' ' ' ILE . 13.3 m -97.5 75.61 2.5 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.622 176.715 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.542 ' HB3' ' HB2' ' A' ' 66' ' ' CYS . 58.2 m -88.77 168.86 12.13 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.617 -175.567 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.37 130.67 53.35 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.448 174.406 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -174.55 -38.06 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 178.086 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.7 t0 71.6 -81.17 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 114.19 -1.368 . . . . 0.0 111.46 174.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.0 t -134.7 120.34 31.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.34 -90.5 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 177.009 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -161.46 -73.6 0.06 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.909 0.385 . . . . 0.0 110.399 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.67 121.75 25.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.608 -177.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -108.12 88.89 0.55 Allowed Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 175.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -78.77 -77.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.624 0.25 . . . . 0.0 110.794 -174.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.25 -13.69 7.63 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.033 0.444 . . . . 0.0 110.239 176.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.634 ' HB2' HG13 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -160.23 -179.33 7.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.828 -179.373 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.58 141.39 31.48 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.843 0.354 . . . . 0.0 110.535 -179.525 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -115.58 133.54 61.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.823 177.167 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.927 HD13 ' HB2' ' A' ' 31' ' ' CYS . 0.9 OUTLIER -127.67 142.97 42.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.484 -173.905 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -79.6 130.78 35.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.46 44.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.052 0.453 . . . . 0.0 111.844 -177.259 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -126.33 -57.14 1.4 Allowed 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 174.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.26 -24.96 64.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.825 -1.079 . . . . 0.0 109.807 172.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.542 ' HB2' ' HB3' ' A' ' 47' ' ' CYS . 1.4 t -78.67 133.23 37.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.452 170.507 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.421 ' HB ' ' H ' ' A' ' 68' ' ' ALA . 14.6 m -82.8 -156.4 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.34 -176.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.421 ' H ' ' HB ' ' A' ' 67' ' ' VAL . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.431 -0.795 . . . . 0.0 110.972 -175.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.462 ' HA ' ' O ' ' A' ' 40' ' ' CYS . . . . . . . . 0 N--CA 1.454 -0.25 0 CA-C-O 120.698 0.285 . . . . 0.0 110.36 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.64 127.14 50.51 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.931 0.396 . . . . 0.0 111.061 -179.347 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.774 ' HA ' ' HA ' ' A' ' 39' ' ' GLN . 0.2 OUTLIER -86.36 100.66 12.46 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.714 -178.278 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.467 ' HB ' ' OG1' ' A' ' 9' ' ' THR . 0.6 OUTLIER -77.44 155.56 5.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 CA-C-O 121.003 0.43 . . . . 0.0 110.879 -178.617 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.462 ' HA2' ' HA ' ' A' ' 36' ' ' ILE . . . -128.66 -121.41 2.37 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.717 -178.028 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.42 ' HD3' ' HA3' ' A' ' 6' ' ' GLY . 6.1 Cg_exo -79.36 81.84 2.67 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 123.249 2.633 . . . . 0.0 113.066 -175.71 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.818 ' HA ' ' HG3' ' A' ' 17' ' ' PRO . 1.6 t30 64.93 83.1 0.17 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.27 0.557 . . . . 0.0 111.124 173.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.467 ' OG1' ' HB ' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -78.78 -5.91 54.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.974 -176.084 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 96.7 m -113.07 120.41 41.24 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.716 0.293 . . . . 0.0 110.228 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -116.74 57.06 0.78 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.245 0.545 . . . . 0.0 110.44 -179.144 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.1 mt -120.91 79.83 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.3 t70 64.79 -86.08 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.796 173.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -128.82 4.14 5.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.289 0.566 . . . . 0.0 110.799 -176.233 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -79.82 122.25 26.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.908 0.385 . . . . 0.0 110.8 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.409 ' HB2' ' HE1' ' A' ' 18' ' ' TYR . 9.7 mttp -92.39 157.02 41.05 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.756 -175.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.818 ' HG3' ' HA ' ' A' ' 8' ' ' ASN . 72.3 Cg_endo -79.42 117.95 3.84 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.616 2.211 . . . . 0.0 111.651 175.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.858 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 11.6 m-85 -125.45 140.54 52.69 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 120.943 0.402 . . . . 0.0 110.904 -175.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.3 t -96.75 78.96 2.93 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.628 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.618 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 2.8 m -101.86 144.49 30.45 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.142 0.496 . . . . 0.0 111.839 -173.77 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -101.72 127.24 48.58 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 172.43 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.66 114.84 16.91 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.107 0.479 . . . . 0.0 110.668 -175.017 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.97 109.84 13.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.615 -179.371 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.92 109.82 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.349 -0.841 . . . . 0.0 112.003 -173.758 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.57 -2.36 31.42 Favored Glycine 0 N--CA 1.452 -0.278 0 CA-C-N 115.831 -0.622 . . . . 0.0 113.603 175.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.57 -13.87 24.05 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 117.008 0.404 . . . . 0.0 111.296 -175.568 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 71.49 -62.43 0.46 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.324 0.65 . . . . 0.0 112.186 176.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -64.35 112.37 3.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.059 0.457 . . . . 0.0 110.651 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.434 HD12 ' HB ' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -95.25 140.53 30.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.053 -174.929 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.438 ' O ' ' HG2' ' A' ' 21' ' ' GLN . . . -86.29 117.71 4.69 Favored Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 110.119 -1.193 . . . . 0.0 110.119 173.638 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.858 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 10.8 t -124.92 144.98 50.05 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -170.557 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' ' 57' ' ' SER . 21.7 t -105.59 133.37 50.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 171.421 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 36.7 t -61.32 115.88 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.62 115.69 6.07 Favored Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.124 -178.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.1 m -122.07 -177.03 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 120.686 0.279 . . . . 0.0 110.305 178.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.462 ' HA ' ' HA2' ' A' ' 6' ' ' GLY . 1.1 mp -66.24 108.12 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.548 179.207 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.24 39.68 2.58 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.498 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m -116.16 102.66 9.8 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.915 0.388 . . . . 0.0 110.704 177.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.774 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 27.6 tt0 -79.77 96.02 6.16 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.09 177.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 17.8 m -70.89 108.2 4.4 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.938 -178.221 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.88 -20.73 69.97 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 175.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -97.63 -120.08 0.13 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 178.025 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 53.8 m -121.03 124.91 45.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.759 0.314 . . . . 0.0 111.152 -178.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.7 p -79.57 112.16 17.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 172.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -111.5 160.43 17.15 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.07 -173.255 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.505 ' HB2' ' HB3' ' A' ' 68' ' ' ALA . 38.9 m -112.48 93.62 4.53 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.645 177.568 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.8 m -112.75 149.57 32.79 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.682 -176.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.14 -46.37 29.06 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 171.686 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 68.63 157.61 0.14 Allowed 'General case' 0 CA--C 1.533 0.305 0 O-C-N 124.459 1.099 . . . . 0.0 111.058 171.173 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -121.84 57.99 1.03 Allowed 'General case' 0 C--N 1.322 -0.623 0 O-C-N 122.115 -0.366 . . . . 0.0 111.067 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 p -58.43 100.32 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-O 121.81 0.814 . . . . 0.0 109.939 173.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.4 -64.95 1.07 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.092 -175.101 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -161.1 -45.1 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.495 0.664 . . . . 0.0 109.475 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.18 107.51 19.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.534 177.694 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 149.04 111.89 0.61 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.077 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -136.02 -61.14 0.71 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.861 0.362 . . . . 0.0 110.122 178.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.407 ' O ' HG13 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -79.93 -28.31 39.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.12 0.486 . . . . 0.0 110.393 178.659 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -140.7 126.9 19.69 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.808 179.014 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.03 148.62 52.77 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.232 176.268 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 40.7 mm -105.19 124.26 59.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.801 0.334 . . . . 0.0 110.388 -179.088 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.474 HG21 ' SG ' ' A' ' 66' ' ' CYS . 36.8 mt -112.51 131.12 64.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.164 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -81.66 52.76 1.97 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -175.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.434 ' HA ' HD11 ' A' ' 29' ' ' LEU . . . 65.92 -66.99 0.15 Allowed 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 173.081 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.09 -4.34 43.91 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -166.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.47 -20.78 46.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.323 0.582 . . . . 0.0 110.247 177.537 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.474 ' SG ' HG21 ' A' ' 61' ' ' ILE . 80.2 m -95.45 97.58 9.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.052 174.074 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.3 m -79.71 -30.0 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.901 0.381 . . . . 0.0 111.186 -176.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.505 ' HB3' ' HB2' ' A' ' 46' ' ' CYS . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.641 -0.695 . . . . 0.0 110.083 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.021 0 CA-C-O 120.788 0.328 . . . . 0.0 110.649 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -160.04 158.11 29.88 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.52 116.74 29.27 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.089 0.471 . . . . 0.0 110.995 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.98 100.43 12.13 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.564 178.392 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.42 ' O ' HG13 ' A' ' 5' ' ' ILE . 1.0 OUTLIER -82.06 150.36 4.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.352 0.596 . . . . 0.0 111.917 -172.022 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -107.31 -168.45 22.04 Favored Glycine 0 N--CA 1.445 -0.745 0 N-CA-C 110.634 -0.987 . . . . 0.0 110.634 172.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.584 ' HD3' HG23 ' A' ' 36' ' ' ILE . 89.1 Cg_endo -79.54 -0.08 10.43 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.463 2.108 . . . . 0.0 112.351 -177.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -126.33 44.06 2.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.715 -176.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.413 HG21 ' HB ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -79.93 -51.4 9.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.802 177.867 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.604 ' H ' ' HG3' ' A' ' 17' ' ' PRO . 83.4 m -124.4 99.46 6.21 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.879 178.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.56 63.63 0.61 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.328 0.585 . . . . 0.0 110.047 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.1 mt -123.71 110.57 26.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.385 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.451 ' HB3' ' H ' ' A' ' 14' ' ' ASP . 4.0 t70 60.09 -99.77 0.1 Allowed 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.581 0.551 . . . . 0.0 111.287 175.615 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.451 ' H ' ' HB3' ' A' ' 13' ' ' ASP . 26.8 t0 -136.25 17.99 3.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.69 0.757 . . . . 0.0 109.866 178.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -89.61 97.85 11.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.611 -177.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.8 159.27 84.72 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.024 -176.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.604 ' HG3' ' H ' ' A' ' 10' ' ' CYS . 3.7 Cg_exo -78.13 123.66 6.27 Favored 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 122.757 2.305 . . . . 0.0 111.608 176.276 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.849 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 23.6 m-85 -128.34 138.95 52.61 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.726 -176.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -92.65 98.65 11.56 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 176.435 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.504 ' SG ' HD12 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -104.04 138.23 40.86 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.43 0.633 . . . . 0.0 112.328 -171.784 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -123.25 127.81 49.11 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.185 -0.916 . . . . 0.0 108.914 172.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.38 133.22 37.57 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.743 0.306 . . . . 0.0 110.701 -177.055 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.57 155.5 28.14 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.484 -179.545 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -74.85 0.11 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.89 -176.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.43 29.19 10.85 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.211 -178.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.08 135.62 47.69 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.54 50.33 1.87 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.162 0.506 . . . . 0.0 111.012 -178.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.493 ' HB3' HG23 ' A' ' 60' ' ' ILE . 0.7 OUTLIER -133.55 130.79 38.94 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.34 -179.49 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.564 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 70.5 mt -86.34 115.11 23.66 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 173.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -78.83 97.78 1.52 Allowed Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 178.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.849 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -111.46 140.66 45.87 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.196 0.522 . . . . 0.0 111.786 -172.107 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.5 t -111.78 138.94 38.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 170.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.9 p -67.08 129.11 31.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.042 0.448 . . . . 0.0 110.63 -178.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.5 125.08 7.14 Favored Glycine 0 N--CA 1.441 -1.02 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.242 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.39 -178.9 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 175.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.584 HG23 ' HD3' ' A' ' 7' ' ' PRO . 1.3 mp -73.3 107.64 4.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 120.768 0.318 . . . . 0.0 110.818 -177.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.38 19.25 11.63 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.611 -0.804 . . . . 0.0 113.145 177.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m -80.29 125.1 29.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.776 0.322 . . . . 0.0 110.955 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -80.58 80.44 7.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.394 0.616 . . . . 0.0 109.721 176.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -76.72 99.88 5.23 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.201 -175.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.77 19.8 53.17 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.663 176.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -128.01 -171.25 2.4 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.93 106.04 4.08 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.788 0.327 . . . . 0.0 110.713 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.2 t -84.71 89.28 2.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.123 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.33 166.46 10.96 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.618 -177.2 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.436 ' HB3' ' HB3' ' A' ' 10' ' ' CYS . 0.3 OUTLIER -109.94 106.79 16.47 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.789 176.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.8 m -126.06 160.09 31.02 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.407 -176.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.34 -37.15 9.36 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.738 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 5.9 t70 30.55 -122.16 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 O-C-N 125.145 1.528 . . . . 0.0 112.295 -177.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -135.63 104.72 5.9 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.009 0.433 . . . . 0.0 110.908 175.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -106.73 17.84 6.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 172.225 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.98 -44.01 8.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.426 -176.04 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -119.9 -29.24 5.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.126 0.489 . . . . 0.0 110.809 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.35 166.7 10.27 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.644 178.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 133.53 72.32 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.419 177.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -122.32 -130.14 0.27 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.47 -0.196 . . . . 0.0 110.47 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.12 -13.06 59.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.85 0.357 . . . . 0.0 110.977 -179.007 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -152.34 150.55 29.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.441 177.345 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -147.04 137.85 23.75 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.445 176.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.493 HG23 ' HB3' ' A' ' 28' ' ' SER . 1.1 mp -105.1 119.21 53.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.564 ' HB ' ' HB2' ' A' ' 29' ' ' LEU . 79.4 mt -96.79 127.13 49.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.033 177.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -86.02 43.82 1.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.309 -178.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 68.35 -63.01 0.35 Allowed 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 176.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.26 49.76 1.0 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.212 0.529 . . . . 0.0 111.923 -172.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.738 ' ND2' ' HA ' ' A' ' 49' ' ' ASP . 1.2 t-20 -145.3 10.68 1.29 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.296 0.57 . . . . 0.0 110.581 178.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.5 t -129.22 144.95 51.4 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.056 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.3 m -107.59 12.57 8.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 121.093 0.473 . . . . 0.0 110.652 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.933 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.36 178.711 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.872 0 CA-C-O 120.491 0.186 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.79 155.33 22.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.551 0.215 . . . . 0.0 111.117 -178.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.16 -27.32 14.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.917 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.659 ' HA ' ' HA ' ' A' ' 39' ' ' GLN . 2.0 m 60.29 90.87 0.06 Allowed 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.472 0.482 . . . . 0.0 110.785 -175.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.417 HD13 ' HB2' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -85.93 159.72 3.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.201 0.524 . . . . 0.0 111.686 -174.554 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -164.44 -155.42 8.37 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -79.53 51.73 4.0 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 123.12 2.547 . . . . 0.0 111.674 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -160.69 -16.28 0.05 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.27 -175.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.92 -33.91 45.08 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -170.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.587 ' HB2' ' HG3' ' A' ' 17' ' ' PRO . 2.9 t -114.34 135.9 53.57 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.939 0.4 . . . . 0.0 110.933 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.67 17.14 2.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.999 175.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 mt -92.97 97.07 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.657 -174.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.44 ' HB3' ' H ' ' A' ' 14' ' ' ASP . 1.1 t0 54.22 -136.48 1.32 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.739 174.011 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.44 ' H ' ' HB3' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -98.81 13.78 31.16 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.465 0.65 . . . . 0.0 110.882 -177.236 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.644 ' CD2' ' HB2' ' A' ' 48' ' ' LYS . 65.8 m-85 -79.34 155.75 28.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.98 179.154 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.64 154.65 50.9 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.287 -176.4 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.587 ' HG3' ' HB2' ' A' ' 10' ' ' CYS . 3.4 Cg_exo -78.84 134.18 11.8 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 122.711 2.274 . . . . 0.0 111.797 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.474 ' CD1' ' HA ' ' A' ' 33' ' ' VAL . 65.2 m-85 -135.04 146.77 49.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.558 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.407 ' HB3' HG13 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -79.47 71.4 6.04 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 176.492 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 64.1 m -81.82 131.21 35.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.147 -175.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -99.3 165.32 11.74 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.264 174.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.2 99.55 12.03 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.923 0.392 . . . . 0.0 110.372 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.92 104.6 16.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.624 -176.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.51 -24.39 27.34 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.09 179.557 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.36 -62.74 3.54 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.334 -178.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.09 147.43 32.42 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.758 0.313 . . . . 0.0 110.704 -178.718 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.13 58.9 3.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.468 0.651 . . . . 0.0 110.014 176.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -144.32 145.41 31.98 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.235 -0.893 . . . . 0.0 108.75 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.467 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 3.5 mm? -88.09 96.8 10.66 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.089 0.471 . . . . 0.0 111.277 -173.359 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -78.01 87.91 1.08 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.77 -0.728 . . . . 0.0 111.434 176.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.467 ' SG ' ' HB3' ' A' ' 29' ' ' LEU . 3.1 m -117.57 -178.41 3.47 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.258 0.552 . . . . 0.0 111.173 -177.248 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.407 HG13 ' HB3' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -142.22 146.93 21.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 172.316 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.474 ' HA ' ' CD1' ' A' ' 18' ' ' TYR . 4.5 t -51.29 114.22 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 O-C-N 123.415 0.447 . . . . 0.0 111.719 -176.666 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.31 103.34 2.27 Favored Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 111.274 -0.731 . . . . 0.0 111.274 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 m -102.41 176.29 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.5 mt -62.76 114.23 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.084 0.468 . . . . 0.0 110.367 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.45 -6.71 28.32 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.555 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.3 m -68.13 107.23 2.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.14 0.495 . . . . 0.0 110.731 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.659 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 8.9 mt-30 -80.23 72.17 7.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.326 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 24.6 m -65.11 124.3 21.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.383 -177.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -122.01 56.08 0.65 Allowed Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 111.466 -0.654 . . . . 0.0 111.466 176.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -147.38 -126.46 0.06 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.452 0.168 . . . . 0.0 110.668 -177.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.4 m -84.49 -29.9 25.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.423 0.154 . . . . 0.0 111.154 -178.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.4 t 53.69 82.43 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-O 121.272 0.558 . . . . 0.0 110.385 -176.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -114.2 168.0 10.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.265 -171.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 17.0 m -126.83 110.86 13.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.403 0.621 . . . . 0.0 110.018 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.404 ' HB3' HG21 ' A' ' 61' ' ' ILE . 62.8 m -119.99 159.28 25.03 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.485 -176.281 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.644 ' HB2' ' CD2' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -100.89 -58.63 1.85 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 177.029 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.612 ' HB2' HG23 ' A' ' 61' ' ' ILE . 7.3 t70 53.68 -146.66 0.53 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.135 -176.003 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.405 ' H ' ' CG ' ' A' ' 49' ' ' ASP . 38.8 t70 -124.91 -29.42 3.37 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 174.379 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 t 58.15 56.04 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.422 -179.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.92 36.37 0.56 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.356 -178.467 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.442 HD21 HD21 ' A' ' 59' ' ' LEU . 11.0 p30 -138.62 161.52 36.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.723 179.323 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.45 53.89 2.81 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.679 -177.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 62.55 70.31 1.07 Allowed Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.743 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -78.58 163.13 25.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.652 0.263 . . . . 0.0 110.652 -179.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -12.03 59.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.062 -175.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -145.39 132.37 20.26 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.663 174.543 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.442 HD21 HD21 ' A' ' 53' ' ' ASN . 0.1 OUTLIER -129.68 108.45 10.21 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.986 -176.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.5 mp -83.06 95.63 3.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 175.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.612 HG23 ' HB2' ' A' ' 49' ' ' ASP . 8.6 mt -86.11 147.31 5.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.622 -175.291 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -69.29 130.98 44.11 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.085 176.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.72 -28.79 67.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.296 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.96 -1.88 37.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.911 0.386 . . . . 0.0 110.992 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.453 ' ND2' ' HA ' ' A' ' 49' ' ' ASP . 0.9 OUTLIER -111.56 2.04 17.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.732 0.777 . . . . 0.0 109.817 176.672 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 96.4 m -108.97 127.96 54.52 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.06 174.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.0 m -105.56 -45.63 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.907 0.384 . . . . 0.0 111.035 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.843 0 CA-C-O 118.703 -0.665 . . . . 0.0 109.439 179.439 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.445 ' HB2' ' H ' ' A' ' 2' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.81 0 CA-C-O 120.609 0.242 . . . . 0.0 110.667 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.609 ' HB1' ' HA2' ' A' ' 41' ' ' GLY . . . -109.13 -172.48 2.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.597 0.237 . . . . 0.0 110.667 -178.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.586 ' O ' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -78.62 120.96 24.05 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.069 0.461 . . . . 0.0 110.515 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.77 108.31 19.78 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.58 -176.437 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.547 ' HB ' ' OG1' ' A' ' 9' ' ' THR . 0.5 OUTLIER -95.04 139.22 19.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.675 179.511 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.418 ' O ' ' HA ' ' A' ' 36' ' ' ILE . . . -102.66 -122.38 5.08 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.491 -0.862 . . . . 0.0 112.023 -177.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -78.55 72.19 6.49 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.514 2.143 . . . . 0.0 112.197 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 58.1 t30 66.85 98.1 0.05 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.926 175.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.547 ' OG1' ' HB ' ' A' ' 5' ' ' ILE . 0.9 OUTLIER -87.26 14.84 7.09 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.584 0.707 . . . . 0.0 110.782 177.204 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 36.5 m -134.64 55.84 1.88 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.596 176.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.19 63.35 3.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.582 0.706 . . . . 0.0 111.215 -176.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.5 mt -105.0 -57.33 4.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.72 177.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -170.18 -136.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.885 -1.052 . . . . 0.0 108.55 -177.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -81.95 57.5 3.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.652 0.739 . . . . 0.0 110.393 177.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -127.46 124.91 39.54 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.161 176.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 12.1 mmtt -92.91 153.34 41.98 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.644 -173.4 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 5.9 Cg_exo -78.91 101.82 1.48 Allowed 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 122.873 2.382 . . . . 0.0 111.934 178.258 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.582 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 31.0 m-85 -98.54 173.64 6.84 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 175.634 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.498 ' HB2' ' HB2' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -134.98 93.33 2.99 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.859 0.361 . . . . 0.0 110.027 176.122 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.413 ' SG ' HD12 ' A' ' 61' ' ' ILE . 1.8 m -84.87 116.24 23.21 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.87 -174.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.524 ' HG2' ' H ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -92.3 128.43 38.15 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.189 176.634 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.13 112.94 15.6 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.1 mmt -78.13 117.21 19.2 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.336 0.589 . . . . 0.0 110.591 -173.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.41 68.87 9.82 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.647 0.737 . . . . 0.0 109.812 -179.341 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 160.8 -55.46 0.32 Allowed Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.603 -177.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.88 129.08 35.67 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 175.402 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.16 57.49 3.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.149 0.5 . . . . 0.0 111.01 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -143.21 155.47 44.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.64 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.3 mt -102.94 119.09 38.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.787 0.327 . . . . 0.0 110.65 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -107.01 116.71 5.08 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.582 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -112.99 110.68 20.91 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.394 0.616 . . . . 0.0 111.207 -174.192 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.1 t -87.0 126.13 40.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.556 176.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.6 t -71.94 137.03 24.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 120.947 0.403 . . . . 0.0 111.301 -173.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -124.13 105.65 0.9 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 121.097 -0.573 . . . . 0.0 111.671 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -90.88 -174.11 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 110.477 -0.194 . . . . 0.0 110.477 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.418 ' HA ' ' O ' ' A' ' 6' ' ' GLY . 60.1 mt -61.81 113.05 0.99 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-O 120.995 0.426 . . . . 0.0 111.295 -176.229 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.67 26.76 26.35 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.23 178.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.9 m -114.86 159.4 20.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.013 0.435 . . . . 0.0 111.418 -178.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.586 ' HA ' ' O ' ' A' ' 3' ' ' THR . 5.3 mt-30 -115.94 103.07 10.24 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 177.266 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.498 ' HB2' ' HB2' ' A' ' 19' ' ' CYS . 29.3 p -76.01 -43.86 42.23 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.84 -171.532 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.609 ' HA2' ' HB1' ' A' ' 2' ' ' ALA . . . 135.63 -52.29 0.8 Allowed Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.033 -1.08 . . . . 0.0 114.039 173.093 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -129.23 -126.72 0.21 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.969 0.385 . . . . 0.0 111.57 -172.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.53 126.46 30.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.876 0.37 . . . . 0.0 111.295 -177.375 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 43.0 t -77.6 122.84 33.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.77 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.5 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 0.2 OUTLIER -124.75 129.8 51.17 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.342 -175.426 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.569 ' H ' ' HB3' ' A' ' 68' ' ' ALA . 27.6 m -87.16 99.21 11.77 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.218 0.532 . . . . 0.0 110.659 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.5 ' SG ' ' HB3' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -138.19 -176.45 4.45 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.333 -177.88 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -140.09 -53.57 0.52 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 176.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.577 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 2.5 t70 62.86 -157.22 0.33 Allowed 'General case' 0 C--O 1.237 0.399 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.982 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -112.62 94.3 4.85 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.002 0.43 . . . . 0.0 110.37 -178.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.3 t -84.19 70.05 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.246 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.73 -85.52 0.08 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.398 178.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -130.55 8.58 4.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.399 0.619 . . . . 0.0 109.626 177.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.56 125.44 33.78 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.622 -179.548 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 156.84 54.2 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.265 177.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -79.91 -65.66 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.58 -52.26 4.85 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.313 0.578 . . . . 0.0 109.499 174.113 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.1 p90 -158.19 179.33 9.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.114 176.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.93 112.96 25.22 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.035 0.445 . . . . 0.0 111.205 -177.31 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.2 mt -79.69 115.89 22.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 174.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.56 HG22 ' H ' ' A' ' 63' ' ' ALA . 8.2 mt -80.55 144.77 10.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.423 -171.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -79.73 33.89 0.27 Allowed 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.408 -178.282 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.56 ' H ' HG22 ' A' ' 61' ' ' ILE . . . 66.35 -79.79 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 123.868 0.867 . . . . 0.0 112.228 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.81 57.37 2.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.025 0.44 . . . . 0.0 111.79 -173.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.577 ' ND2' ' HA ' ' A' ' 49' ' ' ASP . 1.4 t-20 -143.74 17.18 1.81 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.629 0.728 . . . . 0.0 110.321 176.093 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.43 ' HA ' ' HB3' ' A' ' 47' ' ' CYS . 11.0 t -129.97 132.44 46.3 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.472 177.197 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.6 m -115.13 18.99 7.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -173.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.569 ' HB3' ' H ' ' A' ' 46' ' ' CYS . . . . . . . . 0 C--O 1.246 0.897 0 CA-C-O 118.924 -0.56 . . . . 0.0 110.176 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.476 0.838 0 CA-C-O 120.473 0.178 . . . . 0.0 110.566 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.25 105.54 12.53 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 120.993 0.425 . . . . 0.0 110.671 -178.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.31 -35.72 30.67 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.003 177.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.506 ' HA ' ' HA ' ' A' ' 39' ' ' GLN . 1.4 m 46.93 74.58 0.15 Allowed 'General case' 0 N--CA 1.463 0.191 0 O-C-N 123.651 0.594 . . . . 0.0 110.957 -176.084 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.2 pt -67.95 149.55 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.309 -173.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.583 ' O ' ' HA ' ' A' ' 36' ' ' ILE . . . -96.36 -136.41 8.87 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.213 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.892 ' HA ' HG12 ' A' ' 36' ' ' ILE . 5.0 Cg_exo -79.4 75.19 5.19 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 123.102 2.534 . . . . 0.0 112.305 -178.192 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.522 ' HA ' ' HG3' ' A' ' 17' ' ' PRO . 32.0 t30 73.1 109.85 0.07 Allowed 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 121.546 0.688 . . . . 0.0 111.17 176.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 m -79.82 -15.01 58.25 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.649 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 88.6 m -116.86 78.59 1.22 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.892 0.377 . . . . 0.0 110.79 -179.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.75 61.5 2.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.953 0.406 . . . . 0.0 111.803 -178.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.457 ' HB ' ' H ' ' A' ' 13' ' ' ASP . 1.0 OUTLIER -107.14 -93.47 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.592 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.457 ' H ' ' HB ' ' A' ' 12' ' ' ILE . 5.0 t70 -127.07 -137.01 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 176.589 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.454 ' O ' ' HD2' ' A' ' 48' ' ' LYS . 26.1 t70 -79.21 53.64 1.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.708 0.766 . . . . 0.0 110.58 177.413 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.454 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . 3.5 m-85 -113.05 89.65 3.14 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.127 178.291 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.26 138.45 94.42 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.257 -172.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.522 ' HG3' ' HA ' ' A' ' 8' ' ' ASN . 74.5 Cg_endo -79.38 119.8 4.27 Favored 'Trans proline' 0 C--O 1.237 0.441 0 C-N-CA 122.768 2.312 . . . . 0.0 112.099 178.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -122.87 151.75 41.42 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.059 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.61 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -85.12 85.44 7.47 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.073 178.332 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.505 ' HB3' HD22 ' A' ' 29' ' ' LEU . 89.9 m -87.85 144.57 26.51 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.712 -178.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.57 137.42 48.45 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.945 176.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.71 83.78 7.01 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 176.691 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.04 119.54 22.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.503 -174.241 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.64 127.25 32.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.246 175.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 153.76 -67.94 0.31 Allowed Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -178.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -116.62 -2.15 12.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.777 0.323 . . . . 0.0 110.509 175.177 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 56.81 40.9 28.74 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.505 -176.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.04 -93.88 0.07 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.654 -178.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.505 HD22 ' HB3' ' A' ' 20' ' ' CYS . 3.3 mt 178.92 -107.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.576 178.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.431 ' H ' ' HB3' ' A' ' 29' ' ' LEU . . . 104.21 110.52 3.49 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -175.467 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.72 ' HB2' HD12 ' A' ' 61' ' ' ILE . 3.5 m -144.04 122.22 12.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.742 0.306 . . . . 0.0 110.931 -174.218 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -93.47 164.19 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 174.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -68.63 119.63 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.878 0.371 . . . . 0.0 111.539 -174.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -92.03 -65.41 1.13 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.623 -0.798 . . . . 0.0 111.447 176.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.424 ' HB ' ' H ' ' A' ' 36' ' ' ILE . 4.0 t 57.23 -99.73 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 123.062 0.545 . . . . 0.0 111.873 176.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.892 HG12 ' HA ' ' A' ' 7' ' ' PRO . 66.9 mt -140.51 116.05 7.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.665 -177.289 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.22 49.32 5.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.909 -0.662 . . . . 0.0 113.356 175.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.3 m -121.08 133.15 55.22 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.871 0.367 . . . . 0.0 110.428 176.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.506 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -79.57 78.61 6.1 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.124 0.488 . . . . 0.0 110.657 -178.757 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.69 140.37 58.19 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.95 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -120.66 6.87 11.31 Favored Glycine 0 N--CA 1.449 -0.444 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 176.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -130.9 -130.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 -177.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.27 126.39 54.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.686 0.279 . . . . 0.0 110.665 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.0 t -82.79 110.11 17.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 177.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.1 mmpt? -118.05 153.88 32.98 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.72 -177.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.454 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -97.08 109.94 22.59 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.189 179.751 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.96 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 3.0 m -112.77 132.52 55.2 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.06 0.457 . . . . 0.0 111.17 -177.541 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.454 ' HB3' ' HB2' ' A' ' 65' ' ' ASN . 12.8 tptp -80.37 49.87 1.2 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.524 0.678 . . . . 0.0 109.512 172.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -109.3 96.42 6.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.2 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.9 81.78 5.15 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.769 -175.385 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.2 m -58.21 120.92 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.449 178.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.42 13.42 33.32 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.307 0.575 . . . . 0.0 110.726 -176.407 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -160.05 169.6 23.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.781 177.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.9 -26.11 43.78 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.952 0.406 . . . . 0.0 110.74 179.155 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 75.83 -157.69 49.14 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.795 176.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.57 -144.05 0.17 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 178.651 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.16 -25.9 42.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.148 0.499 . . . . 0.0 110.181 175.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -132.32 149.99 52.25 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.347 -175.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -129.03 142.74 50.81 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.023 177.467 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.8 mp -120.25 106.45 18.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 120.968 0.413 . . . . 0.0 110.352 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.72 HD12 ' HB2' ' A' ' 31' ' ' CYS . 4.3 mt -96.31 145.81 8.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.809 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -81.35 145.23 30.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.929 0.395 . . . . 0.0 111.4 -176.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.98 61.99 1.57 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.364 0.602 . . . . 0.0 110.391 175.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.34 -58.45 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.721 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.454 ' HB2' ' HB3' ' A' ' 48' ' ' LYS . 32.3 p-10 -79.52 -30.43 41.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.091 175.621 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.96 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 8.7 t -79.24 130.18 35.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.959 170.366 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 46' ' ' CYS . 17.0 m -100.2 178.84 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.173 179.243 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.498 -0.763 . . . . 0.0 110.624 -177.983 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.518 ' HB1' ' HA2' ' A' ' 41' ' ' GLY . . . -131.71 159.02 39.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.409 179.577 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.93 128.94 34.9 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.818 -176.438 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.07 135.91 36.04 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 176.221 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.468 HG22 HG22 ' A' ' 44' ' ' VAL . 1.0 OUTLIER -95.17 148.86 4.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.048 0.451 . . . . 0.0 111.361 -175.768 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -88.8 168.7 36.14 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.453 175.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.709 ' HB3' HG23 ' A' ' 36' ' ' ILE . 2.7 Cg_exo -77.9 -28.5 5.01 Favored 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 122.812 2.342 . . . . 0.0 112.499 -177.348 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -126.49 49.81 1.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.988 0.423 . . . . 0.0 110.96 -177.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.05 -5.6 54.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.197 0.523 . . . . 0.0 110.926 177.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 92.5 m -105.18 114.63 28.93 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.316 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.48 61.44 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.559 0.695 . . . . 0.0 110.183 177.384 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.481 HD13 HG21 ' A' ' 67' ' ' VAL . 9.1 mt -126.42 -79.92 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.68 -177.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -149.44 -142.2 0.12 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -79.76 75.26 6.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.471 0.653 . . . . 0.0 109.848 175.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -126.98 145.65 50.62 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.537 179.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.82 147.45 35.45 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.3 -175.354 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -79.03 106.28 2.06 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 122.647 2.231 . . . . 0.0 111.675 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -109.27 157.26 19.01 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.164 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 51.5 t -102.05 89.24 3.56 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.582 175.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.542 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 0.6 OUTLIER -84.4 116.26 22.96 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.021 -176.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -78.42 115.92 18.46 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.559 175.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.36 80.22 5.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.314 0.578 . . . . 0.0 110.398 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 44.4 mtm -79.92 81.31 6.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.191 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 m -56.51 115.89 2.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.677 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.88 -1.13 9.99 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 110.611 -0.995 . . . . 0.0 110.611 -174.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.43 130.76 15.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.217 -0.492 . . . . 0.0 109.777 179.326 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.11 42.49 0.99 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.398 0.618 . . . . 0.0 110.589 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -122.88 114.3 20.29 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.297 -179.258 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.447 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 0.3 OUTLIER -81.54 104.65 12.11 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.16 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 20' ' ' CYS . . . -84.44 84.36 1.59 Allowed Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 179.583 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.542 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 0.8 OUTLIER -94.31 91.16 6.58 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.324 0.583 . . . . 0.0 110.681 -174.16 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.825 ' HA ' ' HB2' ' A' ' 58' ' ' PHE . 1.7 t -69.47 144.21 14.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.786 177.191 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.8 t -58.03 115.78 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.815 0.34 . . . . 0.0 111.188 -176.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -90.73 93.28 1.84 Allowed Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 111.547 -0.621 . . . . 0.0 111.547 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -82.5 166.46 2.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 120.787 0.327 . . . . 0.0 110.355 -178.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.709 HG23 ' HB3' ' A' ' 7' ' ' PRO . 29.0 mm -64.45 111.9 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.299 -175.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.38 27.3 40.12 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.327 178.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.7 m -102.3 146.36 28.13 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.071 0.463 . . . . 0.0 110.96 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.448 ' NE2' ' HB3' ' A' ' 2' ' ' ALA . 0.8 OUTLIER -80.93 131.86 35.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.464 179.598 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.42 ' HB2' ' CG2' ' A' ' 5' ' ' ILE . 42.4 t -91.64 -69.6 0.73 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.759 178.428 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.518 ' HA2' ' HB1' ' A' ' 2' ' ' ALA . . . 99.5 -39.15 2.83 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.83 -176.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -99.44 -100.27 0.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.479 0.18 . . . . 0.0 111.126 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.31 133.25 29.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.672 0.272 . . . . 0.0 111.337 -177.444 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.468 HG22 HG22 ' A' ' 5' ' ' ILE . 2.8 t -79.77 110.87 15.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.672 175.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.537 ' HG3' ' HB2' ' A' ' 20' ' ' CYS . 15.7 mtpp -119.67 135.86 54.64 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.605 -177.043 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 72.1 m -95.06 83.69 3.97 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.311 0.577 . . . . 0.0 110.103 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.6 m -109.55 -171.68 1.89 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.317 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -134.5 -58.1 0.83 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 176.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.559 ' HA ' ' CG ' ' A' ' 65' ' ' ASN . 4.9 t70 53.17 -141.77 0.84 Allowed 'General case' 0 C--O 1.235 0.316 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.404 -176.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.583 ' CG ' ' HB2' ' A' ' 53' ' ' ASN . 11.2 t0 -130.56 105.64 7.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.0 0.428 . . . . 0.0 110.672 177.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.563 HG12 HD11 ' A' ' 59' ' ' LEU . 16.5 m -79.19 -15.68 13.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.822 -177.328 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.417 HG23 ' OD1' ' A' ' 50' ' ' ASP . 0.2 OUTLIER -103.69 -30.97 10.1 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.282 -175.204 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.583 ' HB2' ' CG ' ' A' ' 50' ' ' ASP . 3.3 m-20 -79.78 -54.27 6.0 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.849 0.357 . . . . 0.0 110.8 177.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.05 76.3 6.78 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 121.057 0.456 . . . . 0.0 110.924 -178.009 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -70.15 103.24 1.12 Allowed Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.481 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -160.37 173.11 16.12 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 176.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.87 -9.65 59.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.269 0.557 . . . . 0.0 110.891 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.825 ' HB2' ' HA ' ' A' ' 32' ' ' VAL . 4.5 p90 -151.24 150.95 31.17 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.161 175.664 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.563 HD11 HG12 ' A' ' 51' ' ' VAL . 21.0 mt -100.94 115.18 29.82 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.123 0.487 . . . . 0.0 111.459 -172.692 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.2 mt -82.6 111.22 18.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 171.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.513 HD11 ' HB2' ' A' ' 31' ' ' CYS . 7.7 mm -77.48 135.74 25.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.868 0.366 . . . . 0.0 110.795 -173.111 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -79.36 40.26 0.42 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.565 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 64.27 -73.22 0.05 Allowed 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.511 0.724 . . . . 0.0 111.901 -178.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.79 59.81 3.23 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.212 0.53 . . . . 0.0 111.982 -174.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.559 ' CG ' ' HA ' ' A' ' 49' ' ' ASP . 0.9 OUTLIER -151.23 23.34 0.73 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.841 0.829 . . . . 0.0 109.894 173.406 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 5.5 t -135.99 162.94 31.47 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.472 -1.24 . . . . 0.0 109.009 177.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.481 HG21 HD13 ' A' ' 12' ' ' ILE . 3.2 t -79.88 -78.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.855 0.36 . . . . 0.0 110.896 -179.422 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.15 0 CA-C-O 117.975 -1.012 . . . . 0.0 109.717 -179.464 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.002 0 CA-C-O 120.81 0.338 . . . . 0.0 111.416 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.45 145.73 24.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.568 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.44 131.83 35.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.142 0.496 . . . . 0.0 111.358 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.5 m -79.58 104.95 10.53 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.166 176.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -108.93 154.37 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.935 0.398 . . . . 0.0 110.906 -178.563 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -159.57 -146.67 4.64 Favored Glycine 0 N--CA 1.445 -0.732 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.989 -179.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -88.79 22.77 0.81 Allowed 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 123.268 2.646 . . . . 0.0 113.305 -177.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.423 ' HA ' ' OG ' ' A' ' 11' ' ' SER . 1.9 p-10 -150.49 19.87 0.83 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.974 0.416 . . . . 0.0 111.6 179.004 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -93.06 -29.43 15.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.119 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.81 46.8 2.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.459 0.647 . . . . 0.0 109.672 177.592 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.423 ' OG ' ' HA ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -79.41 61.91 3.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.672 -176.378 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.43 ' HB ' ' H ' ' A' ' 13' ' ' ASP . 13.6 mt -98.41 -89.23 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.956 176.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.43 ' H ' ' HB ' ' A' ' 12' ' ' ILE . 8.3 t70 -113.09 -139.26 0.38 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 177.495 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -85.78 19.36 2.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.681 0.753 . . . . 0.0 109.606 173.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -78.59 137.36 37.83 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.122 -0.945 . . . . 0.0 108.88 176.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.89 153.49 39.32 Favored Pre-proline 0 C--N 1.319 -0.749 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.545 -174.297 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -76.7 103.23 1.72 Allowed 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 122.342 2.028 . . . . 0.0 111.167 176.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.836 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 51.5 m-85 -105.39 120.1 40.75 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.773 -177.3 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.509 ' HA ' ' O ' ' A' ' 43' ' ' SER . 63.7 m -99.08 102.02 13.58 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.322 0.582 . . . . 0.0 110.409 -177.596 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.495 ' HB3' ' HA ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -127.64 175.8 8.01 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.049 -175.572 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -110.96 147.54 34.47 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 174.223 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.02 120.19 23.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.805 0.336 . . . . 0.0 110.94 -177.345 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.437 ' SD ' ' HA ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -80.15 -156.09 0.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.591 178.526 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.9 69.95 2.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.087 0.47 . . . . 0.0 110.91 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.93 -86.5 0.77 Allowed Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.676 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.21 119.54 25.42 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.676 0.274 . . . . 0.0 110.304 -177.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -168.17 -178.4 3.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.765 -178.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.23 81.09 3.02 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 173.359 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.437 ' HA ' ' SD ' ' A' ' 23' ' ' MET . 0.5 OUTLIER -72.71 140.93 48.16 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.737 -172.645 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.08 122.24 5.78 Favored Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.586 178.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.836 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 11.1 t -125.66 160.88 28.55 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 120.666 0.27 . . . . 0.0 111.329 -174.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.8 t -124.62 130.81 73.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 173.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.3 p -66.44 125.71 24.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 178.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.01 -42.27 96.85 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.757 -176.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.0 t 72.32 149.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 122.998 0.519 . . . . 0.0 110.471 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.6 mm -74.25 111.81 10.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.129 -176.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.67 55.92 1.95 Allowed Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.423 177.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.09 165.2 28.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.932 0.396 . . . . 0.0 111.243 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -100.91 95.33 6.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.916 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -74.65 116.81 15.77 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.119 0.485 . . . . 0.0 111.199 -175.557 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.11 36.37 3.69 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.103 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.403 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . . . -156.1 178.42 10.31 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 -177.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.509 ' O ' ' HA ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -74.97 123.27 24.83 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.037 -178.212 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.4 t -82.01 113.77 21.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.925 0.393 . . . . 0.0 111.114 -177.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -110.69 178.11 4.47 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.972 177.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -132.01 96.1 3.83 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.334 0.588 . . . . 0.0 110.231 179.288 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.1 m -123.93 -178.49 4.08 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.063 -178.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.59 -61.61 1.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.706 0.288 . . . . 0.0 110.552 178.205 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 t70 53.34 -137.42 1.23 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.792 -172.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -159.97 96.84 1.25 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.043 0.449 . . . . 0.0 111.065 175.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.2 t -77.12 65.9 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.362 0.601 . . . . 0.0 110.596 177.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.21 -33.11 26.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.731 178.173 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -160.36 -38.1 0.05 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.788 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.51 125.1 28.81 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.725 -177.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.721 ' HA2' ' HG ' ' A' ' 59' ' ' LEU . . . 147.35 73.77 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 111.411 -0.675 . . . . 0.0 111.411 -177.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.463 ' HB3' ' H ' ' A' ' 57' ' ' SER . 3.1 t-20 -117.51 -98.07 0.45 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.463 ' H ' ' HB3' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -79.95 -31.29 39.97 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.481 0.658 . . . . 0.0 109.896 175.638 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -142.25 149.58 39.79 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.531 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.721 ' HG ' ' HA2' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -130.28 110.03 11.23 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 174.848 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.1 mp -79.79 114.43 20.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.8 mt -80.95 133.67 28.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.279 -177.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -78.31 37.59 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 112.029 -177.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 62.85 -84.66 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 173.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.55 48.71 0.94 Allowed 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -166.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -134.74 -6.16 2.47 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.266 0.555 . . . . 0.0 109.946 172.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.9 t -88.68 135.47 33.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.474 172.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -79.36 -47.75 21.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 121.146 -0.222 . . . . 0.0 111.26 -174.519 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.837 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.515 -177.236 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.012 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.46 ' HA ' ' CA ' ' A' ' 41' ' ' GLY . . . -78.07 105.32 9.2 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.033 0.444 . . . . 0.0 110.145 -179.23 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.98 142.27 27.67 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.152 -176.096 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.48 124.82 39.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.583 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.49 ' O ' HG13 ' A' ' 5' ' ' ILE . 0.4 OUTLIER -94.8 143.33 11.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.365 178.849 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.424 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -109.48 -128.59 5.63 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.532 -177.358 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -79.39 73.59 5.95 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.987 2.458 . . . . 0.0 112.942 -175.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 69.78 104.43 0.06 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.349 177.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.39 -2.7 58.51 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.276 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 m -102.14 52.97 0.81 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.243 0.544 . . . . 0.0 111.133 -176.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.72 53.33 0.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.305 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.8 mm -109.29 -37.26 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.284 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.0 t70 175.64 -147.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -175.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -81.01 68.61 7.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.603 0.716 . . . . 0.0 109.548 172.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.651 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . 29.4 m-85 -121.88 137.81 54.64 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.575 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.454 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -98.97 138.94 20.71 Favored Pre-proline 0 C--N 1.32 -0.715 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 -178.416 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 4.8 Cg_exo -77.97 119.3 4.66 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 123.057 2.505 . . . . 0.0 112.189 -176.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.434 ' CD1' ' HA ' ' A' ' 33' ' ' VAL . 66.5 m-85 -130.22 141.0 50.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.878 177.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.4 m -92.16 99.9 12.62 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.122 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.563 ' SG ' HD12 ' A' ' 29' ' ' LEU . 1.3 m -88.65 123.82 33.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.917 -176.319 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.856 ' HB2' ' HZ ' ' A' ' 58' ' ' PHE . 27.0 mt-30 -91.43 115.61 28.17 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 172.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.9 m -79.34 117.78 20.64 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.89 -178.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.415 ' HB2' ' O ' ' A' ' 28' ' ' SER . 1.1 mpp? -79.83 69.59 6.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.252 -175.59 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.473 ' HB2' ' H ' ' A' ' 25' ' ' GLY . 0.7 OUTLIER 45.91 -107.2 0.14 Allowed 'General case' 0 C--O 1.237 0.442 0 O-C-N 123.998 0.811 . . . . 0.0 111.829 176.201 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.473 ' H ' ' HB2' ' A' ' 24' ' ' SER . . . -127.87 29.97 4.05 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.497 -178.505 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.62 -2.83 58.83 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.647 -0.325 . . . . 0.0 110.806 177.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 62.64 33.56 15.61 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.813 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' A' ' 23' ' ' MET . 0.3 OUTLIER -135.82 156.67 48.43 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.458 178.246 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.563 HD12 ' SG ' ' A' ' 20' ' ' CYS . 1.1 pt? -156.09 163.12 40.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.794 0.331 . . . . 0.0 110.739 -178.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.502 ' O ' ' HA ' ' A' ' 20' ' ' CYS . . . -141.47 140.33 10.16 Favored Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 18' ' ' TYR . 0.1 OUTLIER -120.57 115.16 22.87 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.008 0.432 . . . . 0.0 110.765 -173.663 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.02 155.23 3.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 175.343 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.434 ' HA ' ' CD1' ' A' ' 18' ' ' TYR . 13.7 p -63.79 124.57 18.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.405 0.621 . . . . 0.0 111.686 -174.096 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.29 73.9 0.32 Allowed Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.56 178.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -78.14 168.45 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.424 HG22 ' O ' ' A' ' 6' ' ' GLY . 1.3 pt -59.83 132.2 24.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.217 0.532 . . . . 0.0 111.221 -177.408 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.05 23.75 47.62 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.796 -0.716 . . . . 0.0 113.017 178.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.3 m -96.17 149.3 21.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.047 0.451 . . . . 0.0 110.934 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -108.42 99.03 8.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.857 178.411 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 68.5 m -114.77 113.59 24.46 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.166 0.508 . . . . 0.0 111.17 -176.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.46 ' CA ' ' HA ' ' A' ' 2' ' ' ALA . . . -98.57 52.71 1.16 Allowed Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.645 176.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -149.65 -173.75 4.49 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 -177.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.09 88.38 2.42 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.911 0.386 . . . . 0.0 111.172 -179.231 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.5 t -66.73 127.79 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 176.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.478 ' HB3' ' SG ' ' A' ' 66' ' ' CYS . 0.5 OUTLIER -135.19 170.98 15.08 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.076 0.465 . . . . 0.0 110.935 -176.31 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.651 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 97.6 m -111.11 109.72 19.92 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.288 -179.261 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.748 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 0.6 OUTLIER -112.65 139.47 48.23 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.161 0.505 . . . . 0.0 110.816 -178.829 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -102.01 35.04 2.48 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 174.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -77.34 156.89 30.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.347 -175.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -87.38 -16.27 35.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.691 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.1 t 60.71 46.32 0.27 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.142 0 CA-C-O 121.825 0.821 . . . . 0.0 110.293 -178.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.28 4.41 54.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.58 176.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -79.92 144.94 32.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.792 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.45 108.98 13.4 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.639 -178.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -147.82 131.69 3.96 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.878 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -80.4 -48.43 12.91 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.068 0.461 . . . . 0.0 110.468 178.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.08 -62.97 1.19 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.522 177.211 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.856 ' HZ ' ' HB2' ' A' ' 21' ' ' GLN . 1.1 t80 -84.28 114.29 21.74 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.395 178.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.92 128.77 54.0 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.069 178.079 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.6 mp -85.78 123.29 39.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -111.26 135.74 49.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.857 -178.669 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -61.14 137.23 58.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.219 -178.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.71 -9.72 55.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.834 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.45 -11.49 54.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.447 175.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -107.6 -33.32 7.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.856 -178.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.748 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 1.9 t -94.53 130.97 40.73 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 174.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.517 HG22 ' O ' ' A' ' 46' ' ' CYS . 29.0 m -88.16 171.29 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.21 0.529 . . . . 0.0 111.888 -174.689 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.077 -0.963 . . . . 0.0 109.91 179.066 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.474 0.763 0 CA-C-O 120.789 0.328 . . . . 0.0 110.806 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.534 ' HB1' ' HG3' ' A' ' 39' ' ' GLN . . . -114.74 91.74 3.72 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.047 0.451 . . . . 0.0 110.35 178.258 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.64 138.4 37.39 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.588 -176.003 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.02 89.41 7.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.015 0.436 . . . . 0.0 110.66 178.072 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.402 HG22 ' H ' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -79.72 117.78 26.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 178.215 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.409 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -98.11 -138.48 10.23 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.669 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -77.79 73.26 5.74 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.984 2.456 . . . . 0.0 111.179 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 51.6 t30 73.99 113.88 0.06 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.954 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.2 m -88.01 -15.47 36.33 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.556 177.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 56.9 m -109.1 74.74 0.92 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.722 -177.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.28 54.03 1.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.964 0.411 . . . . 0.0 110.818 178.152 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.2 mt -127.09 102.28 9.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.443 -178.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.6 t70 58.98 -105.4 0.25 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.047 177.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -134.02 33.74 3.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.864 0.84 . . . . 0.0 109.967 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.477 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . 0.1 OUTLIER -83.47 115.14 21.93 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.188 178.176 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -85.82 139.92 35.28 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.219 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_endo -79.88 133.04 9.95 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 122.625 2.217 . . . . 0.0 111.921 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.656 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 86.3 m-85 -132.55 128.69 37.81 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.76 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 29.8 m -81.99 103.22 11.47 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 177.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.635 ' SG ' ' HB3' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -100.45 130.82 46.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.932 -0.577 . . . . 0.0 112.019 -172.631 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -80.61 152.81 28.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.163 177.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.36 85.67 5.81 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.087 0.47 . . . . 0.0 111.905 -175.208 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.14 -71.51 0.6 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.024 0.44 . . . . 0.0 110.037 174.164 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.3 p -152.58 -60.6 0.15 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.269 0.557 . . . . 0.0 109.999 178.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.57 ' HA2' HD21 ' A' ' 29' ' ' LEU . . . 101.46 -8.28 56.7 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.57 -177.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.73 31.64 6.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.199 0.523 . . . . 0.0 110.476 -179.23 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -162.99 -63.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.338 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.0 m -152.67 151.17 30.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.415 177.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.635 ' HB3' ' SG ' ' A' ' 20' ' ' CYS . 0.6 OUTLIER -119.55 128.22 53.72 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.729 0.3 . . . . 0.0 110.251 179.379 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -95.83 88.81 1.08 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.707 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.656 ' HB2' ' HB3' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -125.53 117.08 22.83 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.08 0.467 . . . . 0.0 111.2 -176.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.595 HG13 ' HB2' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -86.91 163.04 2.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.693 175.074 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.6 p -61.1 135.95 25.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.895 0.379 . . . . 0.0 110.907 -177.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.77 116.75 9.8 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.238 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -79.5 115.99 22.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 120.901 0.381 . . . . 0.0 110.491 179.53 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 6' ' ' GLY . 0.8 OUTLIER -59.72 130.62 23.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.765 -175.804 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.67 31.81 60.09 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.575 175.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m -129.91 158.45 39.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.063 0.459 . . . . 0.0 111.485 -177.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.534 ' HG3' ' HB1' ' A' ' 2' ' ' ALA . 5.6 tp60 -91.99 94.83 9.46 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.753 177.54 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -80.36 113.81 18.81 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.195 179.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' A' ' 2' ' ' ALA . . . -85.94 44.36 3.34 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.697 -178.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -153.87 157.97 40.08 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -176.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.416 ' HB2' ' HE2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -63.95 106.33 1.01 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.228 -178.5 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.5 t -78.97 122.06 33.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.752 0.31 . . . . 0.0 110.243 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' ' 43' ' ' SER . 1.5 mttt -122.15 167.09 13.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.919 179.216 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.477 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 4.1 m -105.69 112.62 25.77 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.119 0.485 . . . . 0.0 109.785 177.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 2.8 m -127.62 150.29 49.8 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.011 0.434 . . . . 0.0 111.359 -174.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.74 68.77 0.92 Allowed 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 173.096 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.6 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 1.9 t70 -90.8 -168.12 2.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.794 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -90.5 107.64 19.29 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 177.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.7 p -126.52 85.12 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.793 0.806 . . . . 0.0 111.214 -176.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.7 m -85.88 -22.33 27.56 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.573 0.702 . . . . 0.0 109.742 172.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -160.33 -155.91 0.46 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.104 177.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.68 17.31 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.816 0.341 . . . . 0.0 111.319 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.98 -107.41 2.12 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -174.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.448 ' HB3' ' H ' ' A' ' 57' ' ' SER . 9.1 t-20 -108.94 -88.09 0.49 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 174.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.448 ' H ' ' HB3' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -101.49 -22.29 14.56 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.552 0.691 . . . . 0.0 109.316 171.284 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.595 ' HB2' HG13 ' A' ' 32' ' ' VAL . 3.6 p90 -160.58 173.84 14.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.743 -1.117 . . . . 0.0 108.488 178.092 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 mt -103.74 142.53 34.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.087 0.47 . . . . 0.0 111.913 -174.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.7 mt -114.0 120.83 64.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.3 175.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.484 HG23 ' HB2' ' A' ' 49' ' ' ASP . 22.2 mt -115.41 153.04 16.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.799 -174.562 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -96.5 148.67 22.58 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.207 176.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.65 7.06 9.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.862 0.363 . . . . 0.0 111.527 -177.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -90.43 -36.82 14.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.136 0.493 . . . . 0.0 110.983 178.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.6 ' ND2' ' HA ' ' A' ' 49' ' ' ASP . 10.6 p-10 -103.9 -11.73 17.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.216 0.531 . . . . 0.0 110.776 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 53.3 t -102.07 147.16 26.93 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.653 170.357 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.5 m -100.36 101.67 12.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.396 0.617 . . . . 0.0 110.253 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.166 0 CA-C-O 118.606 -0.711 . . . . 0.0 110.387 -178.812 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.475 0.8 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.56 93.18 5.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.857 0.36 . . . . 0.0 110.391 177.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.16 131.06 38.09 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.755 -178.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.638 ' HA ' ' HA ' ' A' ' 39' ' ' GLN . 1.3 m -91.44 129.98 37.35 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.969 -176.104 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.42 ' O ' HG13 ' A' ' 5' ' ' ILE . 3.8 pt -114.13 144.37 21.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.072 177.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -88.16 -150.22 19.91 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.556 -0.83 . . . . 0.0 111.862 177.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.875 ' HA ' HG23 ' A' ' 36' ' ' ILE . 6.0 Cg_exo -79.55 -5.56 14.16 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 123.074 2.516 . . . . 0.0 112.183 177.358 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -161.48 104.24 1.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.112 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.45 -15.39 17.18 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 179.583 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.8 m -123.98 76.81 1.48 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.93 0.395 . . . . 0.0 111.081 -175.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.24 61.51 4.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.171 0.51 . . . . 0.0 111.256 -178.109 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.1 mt -116.75 -56.44 3.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.775 178.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -172.82 -134.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.066 178.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -79.52 66.43 4.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.629 0.728 . . . . 0.0 110.126 177.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -122.52 121.39 36.44 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.009 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.27 135.91 26.32 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.612 -175.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -79.4 101.76 1.44 Allowed 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 122.598 2.199 . . . . 0.0 111.41 177.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -101.58 131.89 47.54 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.059 -176.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.401 ' HB3' ' HB3' ' A' ' 40' ' ' CYS . 2.8 m -79.54 97.18 6.35 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.561 175.31 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -104.13 117.4 34.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.22 0.533 . . . . 0.0 111.83 -173.803 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.478 ' HG2' ' H ' ' A' ' 21' ' ' GLN . 1.5 mm-40 -81.33 116.19 21.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.28 175.5 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.56 148.05 31.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.9 0.381 . . . . 0.0 110.603 -177.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.415 ' HB3' ' H ' ' A' ' 24' ' ' SER . 2.4 mtt -113.09 -153.32 0.52 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.67 -177.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.415 ' H ' ' HB3' ' A' ' 23' ' ' MET . 0.0 OUTLIER -88.1 -144.45 0.13 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.276 -179.767 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.412 ' H ' ' HB2' ' A' ' 24' ' ' SER . . . -76.86 61.59 3.32 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.506 178.495 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.39 147.44 49.17 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.592 0.234 . . . . 0.0 110.656 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.41 42.63 1.01 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.323 0.583 . . . . 0.0 110.015 177.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -133.79 148.44 51.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.072 -178.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 29' ' ' LEU . 1.0 OUTLIER -126.28 -175.91 3.51 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 177.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.434 ' O ' ' HA ' ' A' ' 20' ' ' CYS . . . -149.31 78.37 0.22 Allowed Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -176.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 1.4 m -94.91 143.64 26.3 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.466 0.65 . . . . 0.0 111.794 -172.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -130.52 156.72 42.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 170.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.2 p -65.57 135.41 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.583 0.23 . . . . 0.0 110.542 -177.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.53 130.23 47.76 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.589 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.487 ' HB ' ' HB2' ' A' ' 38' ' ' SER . 0.2 OUTLIER -69.79 -20.14 23.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.83 -0.185 . . . . 0.0 111.299 -177.454 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.875 HG23 ' HA ' ' A' ' 7' ' ' PRO . 49.2 mm 67.82 104.36 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 O-C-N 123.553 0.533 . . . . 0.0 111.154 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.48 22.89 57.73 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.933 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.487 ' HB2' ' HB ' ' A' ' 35' ' ' VAL . 3.4 m -148.75 173.52 13.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.77 0.319 . . . . 0.0 110.413 -177.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.638 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 1.9 mp0 -80.24 138.68 36.85 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.423 -179.039 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.401 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 1.2 m -87.19 -15.61 37.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.029 0.443 . . . . 0.0 110.848 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.72 -13.81 40.31 Favored Glycine 0 CA--C 1.519 0.287 0 CA-C-N 115.927 -0.579 . . . . 0.0 113.439 175.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -159.72 -162.25 1.0 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.764 0.282 . . . . 0.0 110.719 -178.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.96 126.95 29.81 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 123.569 0.543 . . . . 0.0 111.838 -177.058 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.7 t -86.95 102.35 12.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.091 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.43 ' HD2' ' HA ' ' A' ' 45' ' ' LYS . 26.7 mmmt -91.58 128.82 37.56 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.904 -176.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 96.2 m -92.65 83.35 4.86 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 174.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.677 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 0.6 OUTLIER -108.11 148.33 29.97 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.741 -171.861 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.57 -48.98 5.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.099 174.191 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.609 ' H ' ' HB2' ' A' ' 65' ' ' ASN . 37.8 t70 54.38 -111.06 0.59 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 114.547 -1.206 . . . . 0.0 110.022 -177.302 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -171.69 -34.09 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 50.7 t 69.17 115.91 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.231 0.12 0 CA-C-N 114.907 -1.042 . . . . 0.0 112.037 172.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 10.1 t -79.21 151.85 30.98 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 174.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -79.45 -9.28 59.57 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.059 0.457 . . . . 0.0 111.006 -175.453 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -88.17 120.67 29.74 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.367 176.19 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -76.96 157.04 46.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.804 -177.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -159.87 168.48 25.67 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.76 -12.64 59.77 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.842 0.353 . . . . 0.0 110.733 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -136.96 134.99 37.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.814 -178.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.4 mt -117.53 93.08 4.02 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 176.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.8 mt -79.7 72.08 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.126 0.489 . . . . 0.0 111.57 -173.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.41 HD12 ' HB2' ' A' ' 31' ' ' CYS . 2.3 mt -84.11 152.67 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.72 175.564 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -101.14 160.28 14.52 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 178.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.02 51.95 1.02 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.241 0.544 . . . . 0.0 111.011 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -114.37 -44.63 3.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.255 -177.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.609 ' HB2' ' H ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -103.31 14.89 30.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.96 -176.248 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.677 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -105.51 122.15 45.41 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.037 177.661 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.4 m -78.98 -19.08 12.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.885 0.374 . . . . 0.0 111.16 -175.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.857 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.492 ' O ' ' HA2' ' A' ' 41' ' ' GLY . 0.2 OUTLIER . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.52 87.35 4.38 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.066 0.46 . . . . 0.0 110.357 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.18 128.76 33.7 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.475 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.38 119.23 36.7 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.246 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.514 ' HB ' ' OG1' ' A' ' 9' ' ' THR . 8.8 pt -104.07 162.58 4.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.503 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -93.74 -144.11 14.81 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.827 -0.702 . . . . 0.0 111.913 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.62 ' HA ' HG12 ' A' ' 36' ' ' ILE . 4.7 Cg_exo -78.42 -32.8 2.1 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.449 2.099 . . . . 0.0 111.164 175.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -145.45 123.25 11.92 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 172.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.514 ' OG1' ' HB ' ' A' ' 5' ' ' ILE . 0.3 OUTLIER -125.64 44.48 2.82 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.438 0.637 . . . . 0.0 110.849 179.253 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.7 t -159.54 79.7 0.73 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.041 179.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.31 39.58 2.15 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.177 0.513 . . . . 0.0 110.799 -179.668 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.4 mm -78.75 -52.57 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.246 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -170.97 -125.0 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.394 -0.821 . . . . 0.0 108.952 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -93.9 67.09 3.71 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.295 0.569 . . . . 0.0 109.635 174.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -132.18 153.78 50.21 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.006 178.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.0 mttm -112.42 146.24 34.54 Favored Pre-proline 0 C--N 1.32 -0.698 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -78.7 98.89 1.22 Allowed 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 122.476 2.117 . . . . 0.0 112.084 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.595 ' HB3' ' HB3' ' A' ' 31' ' ' CYS . 37.5 m-85 -107.86 116.17 31.47 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.428 -179.438 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.646 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 34.1 m -78.52 87.58 4.49 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 174.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.935 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 7.4 t -94.61 123.59 38.14 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.542 -169.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -83.37 99.33 9.98 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.664 176.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.37 103.85 8.58 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 175.079 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.86 ' HB2' ' HB2' ' A' ' 28' ' ' SER . 67.7 mtp -82.06 29.11 0.41 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.696 -173.4 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 35.74 78.54 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 O-C-N 124.299 1.0 . . . . 0.0 112.936 176.309 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 169.21 -123.27 1.07 Allowed Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 119.836 -1.173 . . . . 0.0 113.626 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.22 67.55 9.26 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -169.276 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 55.51 25.16 7.55 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.783 175.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.86 ' HB2' ' HB2' ' A' ' 23' ' ' MET . 0.4 OUTLIER -78.72 83.65 4.86 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.827 -177.342 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.567 ' HB3' ' SG ' ' A' ' 20' ' ' CYS . 8.0 mt -108.79 98.58 8.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.251 178.577 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.452 ' HA3' ' CZ ' ' A' ' 58' ' ' PHE . . . -97.09 87.74 0.92 Allowed Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 177.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.935 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -97.36 118.56 34.11 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.153 0.501 . . . . 0.0 111.251 -173.886 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.6 t -97.22 140.14 18.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.805 176.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.403 HG13 ' CE1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -62.97 124.7 18.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.011 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -76.32 123.02 6.65 Favored Glycine 0 N--CA 1.444 -0.795 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 176.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.51 ' HB ' ' H ' ' A' ' 36' ' ' ILE . 0.5 OUTLIER -94.82 -110.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.47 0.176 . . . . 0.0 110.7 -177.23 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.62 HG12 ' HA ' ' A' ' 7' ' ' PRO . 78.2 mt -134.76 110.79 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.72 0.295 . . . . 0.0 110.298 -178.464 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.12 32.42 60.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.761 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.97 139.73 35.64 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.24 0.543 . . . . 0.0 111.385 -178.337 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -91.34 99.13 12.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.208 175.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.509 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 66.5 m -97.8 110.69 23.21 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.065 -176.506 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.492 ' HA2' ' O ' ' A' ' 1' ' ' SER . . . -85.92 38.55 3.04 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 121.069 -0.586 . . . . 0.0 111.827 179.119 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -160.09 172.63 17.13 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -176.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.03 109.58 4.62 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.148 0.499 . . . . 0.0 111.343 -177.604 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.646 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 2.1 p -77.25 107.29 8.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.387 0.613 . . . . 0.0 109.393 174.646 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.624 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . 2.9 mttt -112.94 157.75 21.08 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.692 -175.113 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 18.1 m -96.49 95.4 7.99 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.931 177.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 1.8 m -107.45 143.22 36.12 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.926 0.393 . . . . 0.0 110.955 -178.326 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.436 ' O ' ' HB2' ' A' ' 65' ' ' ASN . 0.1 OUTLIER -90.41 81.28 6.01 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 172.656 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -66.0 153.21 42.79 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.211 -175.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -102.68 -14.24 16.77 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.683 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.9 t 55.27 30.65 0.16 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.29 -2.26 58.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.943 176.467 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -105.24 110.09 22.33 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.184 -0.916 . . . . 0.0 108.556 173.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.39 69.45 5.63 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.185 0.517 . . . . 0.0 111.551 -174.38 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.507 ' HA3' ' O ' ' A' ' 58' ' ' PHE . . . -103.58 139.12 14.37 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.794 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -101.04 -49.62 4.05 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.846 0.355 . . . . 0.0 110.276 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.94 -2.87 24.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.007 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.507 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -156.3 129.36 7.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.279 -179.072 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.39 129.91 51.54 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 176.085 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 56.4 mt -102.88 108.48 24.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.21 0.529 . . . . 0.0 110.416 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.588 HD13 ' HB2' ' A' ' 31' ' ' CYS . 3.8 mp -107.08 143.12 18.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.943 -177.152 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -85.36 163.84 18.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.307 0.575 . . . . 0.0 111.451 -176.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.24 16.05 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.801 -175.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.94 -45.31 5.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.954 0.407 . . . . 0.0 110.338 176.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.444 HD21 HG23 ' A' ' 61' ' ' ILE . 15.7 p-10 -86.25 -19.36 30.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.702 178.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 18.5 t -97.22 134.73 40.14 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 170.106 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.9 m -105.25 39.83 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -173.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.624 ' HB3' ' HB3' ' A' ' 45' ' ' LYS . . . . . . . . 0 C--O 1.245 0.841 0 CA-C-O 118.637 -0.697 . . . . 0.0 110.51 178.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.461 ' HB2' ' H ' ' A' ' 2' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.474 0.737 0 CA-C-O 120.556 0.217 . . . . 0.0 110.569 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.461 ' H ' ' HB2' ' A' ' 1' ' ' SER . . . -96.76 109.42 22.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.982 0.42 . . . . 0.0 111.019 -178.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.89 -21.28 44.2 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.546 178.427 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.801 HG23 ' HG3' ' A' ' 39' ' ' GLN . 19.2 m 72.18 123.64 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.597 -178.503 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.572 ' H ' ' HA ' ' A' ' 39' ' ' GLN . 0.7 OUTLIER -108.82 101.27 12.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-O 121.55 0.691 . . . . 0.0 110.485 178.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.15 -155.29 29.54 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.646 175.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -81.99 8.75 4.29 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.727 2.285 . . . . 0.0 113.346 -176.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -153.39 38.52 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.887 0.375 . . . . 0.0 111.926 -178.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.68 -64.68 1.13 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.003 0.43 . . . . 0.0 110.104 173.5 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -128.9 56.66 1.66 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.383 0.611 . . . . 0.0 109.544 177.441 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -121.03 53.26 1.15 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.223 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.0 mm -73.01 -63.81 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.705 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -146.92 -107.55 0.09 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.921 -178.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -84.91 2.55 42.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.53 0.681 . . . . 0.0 109.978 174.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -78.66 112.93 16.26 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 173.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -83.49 159.62 61.01 Favored Pre-proline 0 C--N 1.318 -0.79 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.707 -175.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.571 ' HB3' HD11 ' A' ' 5' ' ' ILE . 3.7 Cg_exo -78.63 103.93 1.74 Allowed 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 122.456 2.104 . . . . 0.0 110.96 178.048 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.805 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 11.9 m-85 -115.05 124.7 52.26 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.589 -174.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 23.7 m -94.75 100.19 12.15 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 171.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.512 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -92.18 132.52 36.58 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.362 0.601 . . . . 0.0 111.952 -171.858 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -86.95 80.63 8.37 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 171.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.463 ' HA ' ' HB3' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -77.94 118.56 20.36 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.53 -174.703 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.7 mtt -91.39 -179.64 5.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.933 -175.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.95 25.74 2.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.19 -3.28 26.85 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.781 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.99 -59.04 5.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.842 0.353 . . . . 0.0 111.412 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -141.92 41.88 1.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 176.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.2 m 59.32 -102.68 0.15 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.19 -177.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.463 ' HB3' ' HA ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -149.14 131.09 15.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.086 0.47 . . . . 0.0 111.078 -178.9 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -104.42 118.46 5.95 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 175.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.805 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 0.1 OUTLIER -100.78 141.8 33.14 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.179 0.514 . . . . 0.0 111.877 -172.207 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 57' ' ' SER . 1.7 t -116.98 153.49 18.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.352 -0.84 . . . . 0.0 108.961 172.013 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.5 t -69.45 110.24 2.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.829 0.347 . . . . 0.0 110.498 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.66 101.9 1.7 Allowed Glycine 0 N--CA 1.443 -0.836 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.925 -178.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -68.56 125.25 25.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 120.721 0.296 . . . . 0.0 110.554 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.2 mt -56.38 123.78 8.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.163 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.88 -8.77 54.64 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.855 176.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.38 -1.81 46.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 117.035 0.418 . . . . 0.0 111.647 -176.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.801 ' HG3' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER 67.61 146.29 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.697 0.623 . . . . 0.0 111.35 -178.781 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 4.9 t -109.02 120.18 41.78 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 177.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -99.8 19.55 52.91 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.194 -178.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.45 -152.27 0.4 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.21 118.87 30.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.862 0.363 . . . . 0.0 110.751 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.5 t -79.25 109.17 13.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 177.085 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.437 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 7.7 mmmt -103.53 122.56 45.2 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.955 0.407 . . . . 0.0 110.67 -176.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.6 m -84.5 90.77 7.7 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.951 179.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.531 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 4.1 m -124.16 158.25 32.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.617 -176.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 tttm -102.38 -47.9 4.34 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 174.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.787 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 2.9 t70 49.89 -139.38 0.86 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.147 -1.388 . . . . 0.0 111.226 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -143.78 89.64 2.07 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.117 0.484 . . . . 0.0 110.477 176.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -86.14 76.79 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.044 177.641 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.18 -18.32 55.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.093 -177.43 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -91.11 138.59 31.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.108 178.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.27 56.58 2.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.369 0.604 . . . . 0.0 110.905 -178.735 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 119.21 88.03 1.13 Allowed Glycine 0 N--CA 1.445 -0.717 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.398 -177.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -112.19 153.55 26.89 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.439 ' O ' HG13 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -88.48 -73.83 0.48 Allowed 'General case' 0 N--CA 1.444 -0.736 0 CA-C-O 120.946 0.403 . . . . 0.0 110.114 -179.912 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -104.95 118.83 37.51 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 121.115 0.484 . . . . 0.0 111.328 -176.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.69 119.17 28.21 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.506 174.554 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -85.71 132.71 31.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.567 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.566 HG22 ' H ' ' A' ' 63' ' ' ALA . 25.0 mt -104.7 136.85 36.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -175.564 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.39 17.61 0.82 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.07 177.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.566 ' H ' HG22 ' A' ' 61' ' ' ILE . . . 72.79 -38.39 0.42 Allowed 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.881 0.872 . . . . 0.0 113.055 174.003 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.94 8.22 5.94 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -175.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.787 ' ND2' ' HA ' ' A' ' 49' ' ' ASP . 2.3 m-20 -105.02 2.51 29.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.517 0.675 . . . . 0.0 110.487 179.162 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.531 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 13.0 m -109.21 159.33 17.01 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.738 178.488 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -98.2 -9.59 8.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.052 0.453 . . . . 0.0 110.397 175.256 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.941 0 CA-C-O 117.632 -1.175 . . . . 0.0 108.766 179.705 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.829 0 CA-C-O 120.753 0.311 . . . . 0.0 110.45 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.7 97.59 7.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.532 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.04 134.03 36.18 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.639 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -87.88 104.58 16.74 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 172.697 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.747 ' HB ' HG21 ' A' ' 9' ' ' THR . 4.4 pt -84.62 139.17 17.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.279 0.562 . . . . 0.0 111.665 -172.76 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.8 -164.46 27.0 Favored Glycine 0 N--CA 1.444 -0.823 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 173.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.715 ' HA ' HD12 ' A' ' 36' ' ' ILE . 3.5 Cg_exo -78.16 -29.27 4.19 Favored 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 122.663 2.242 . . . . 0.0 112.215 -178.388 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -100.98 43.15 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.581 -175.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.747 HG21 ' HB ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -78.98 -58.97 2.97 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.014 -178.777 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 97.0 m -106.25 62.87 0.65 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.05 0.452 . . . . 0.0 110.33 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.55 85.02 3.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.299 0.571 . . . . 0.0 111.24 -178.508 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mt -131.36 -52.01 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.575 0.702 . . . . 0.0 109.271 175.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -162.49 -142.93 0.08 Allowed 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 178.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -79.79 63.65 4.41 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 171.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -109.21 116.67 32.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.169 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.77 132.99 56.09 Favored Pre-proline 0 C--N 1.316 -0.872 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.567 -174.316 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -78.08 98.21 1.19 Allowed 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 122.724 2.283 . . . . 0.0 110.862 176.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.495 ' CD2' ' HB3' ' A' ' 47' ' ' CYS . 37.1 m-85 -93.42 129.89 39.41 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.878 -175.426 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 64.6 m -81.23 101.88 10.0 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.313 174.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.572 ' SG ' ' HB2' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -100.84 128.32 46.93 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.208 0.528 . . . . 0.0 111.596 -174.206 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.9 129.8 40.49 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.406 -0.816 . . . . 0.0 108.919 171.341 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.22 79.07 4.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.312 0.577 . . . . 0.0 110.634 -177.087 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -78.22 99.89 6.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.081 -178.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.41 108.2 17.75 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.483 -176.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.58 -10.99 11.3 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.658 -176.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.65 142.18 50.39 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.17 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.38 -38.9 29.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.932 0.396 . . . . 0.0 110.779 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.0 104.79 7.69 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.569 178.547 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.572 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -89.19 144.66 25.95 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.974 0.416 . . . . 0.0 110.119 178.043 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.726 ' HA3' ' HE2' ' A' ' 58' ' ' PHE . . . -83.65 101.44 2.37 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.933 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.472 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 0.8 OUTLIER -106.47 111.01 23.39 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.859 0.361 . . . . 0.0 110.672 -176.003 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.746 HG13 ' HB2' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -101.67 135.24 39.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 176.554 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.3 p -58.17 125.85 14.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.165 0.507 . . . . 0.0 111.827 -174.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.54 133.75 30.29 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.633 176.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.405 ' O ' ' HB ' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -89.17 -0.76 8.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.608 0.242 . . . . 0.0 111.344 -175.52 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.715 HD12 ' HA ' ' A' ' 7' ' ' PRO . 44.1 mm 71.84 113.32 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.713 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.19 18.63 52.97 Favored Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 -174.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.19 162.57 18.01 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.354 -0.423 . . . . 0.0 110.591 -177.22 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.493 ' H ' ' HG2' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -92.08 122.07 34.23 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 175.783 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.416 ' SG ' HG21 ' A' ' 5' ' ' ILE . 0.8 OUTLIER -72.92 -16.12 61.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.723 -175.544 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.77 -49.16 4.19 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.973 176.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -134.94 -120.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.71 0.29 . . . . 0.0 111.404 -178.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.39 123.21 32.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.03 0.443 . . . . 0.0 111.571 -174.565 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.2 t -83.16 124.93 39.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.917 175.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -117.44 130.19 56.31 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.94 0.4 . . . . 0.0 111.17 -178.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 72.6 m -85.5 93.4 8.77 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 174.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.761 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 3.7 t -115.83 151.78 34.6 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.772 -170.356 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.26 41.62 1.39 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.654 174.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -65.57 136.64 56.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.556 178.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.52 77.53 4.39 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.401 ' H ' HG22 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -34.47 109.47 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 O-C-N 124.556 1.16 . . . . 0.0 112.466 -178.448 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.21 172.44 7.07 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.797 -176.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.47 -3.65 47.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.983 0.421 . . . . 0.0 111.293 -178.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.85 -8.34 58.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.816 -175.573 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -75.01 128.24 9.87 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.587 -0.816 . . . . 0.0 111.922 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.433 ' HB3' ' H ' ' A' ' 57' ' ' SER . 33.5 t30 -82.3 -97.49 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.602 0.239 . . . . 0.0 110.4 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.433 ' H ' ' HB3' ' A' ' 56' ' ' ASN . 1.0 OUTLIER -84.12 -39.95 18.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.0 0.429 . . . . 0.0 110.378 177.365 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.746 ' HB2' HG13 ' A' ' 32' ' ' VAL . 1.0 OUTLIER -153.13 156.66 39.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.116 179.367 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.81 102.91 15.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.226 0.536 . . . . 0.0 111.796 -173.156 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.465 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -86.39 93.32 3.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 174.474 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -88.87 172.28 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.155 0.503 . . . . 0.0 112.05 -172.236 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.96 -2.92 57.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.581 -176.612 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 74.0 -20.96 0.29 Allowed 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 172.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.67 -3.56 44.7 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -173.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -97.63 -14.42 20.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.21 0.528 . . . . 0.0 110.612 178.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.761 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 1.9 m -80.98 149.17 29.44 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.547 173.142 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.1 m -100.49 -18.78 6.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-O 121.08 0.467 . . . . 0.0 110.849 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.486 178.874 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.476 0.872 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.511 ' HA ' ' HA2' ' A' ' 41' ' ' GLY . . . -78.73 103.16 8.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.946 0.403 . . . . 0.0 110.401 179.112 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.32 128.55 46.36 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.708 -179.626 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.47 93.61 9.6 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.347 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -72.82 141.42 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.178 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -109.68 -122.96 4.58 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.535 -0.84 . . . . 0.0 111.961 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -78.47 78.23 3.72 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.705 2.27 . . . . 0.0 112.613 -178.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.502 ' OD1' ' HD3' ' A' ' 17' ' ' PRO . 22.1 t-20 59.1 87.25 0.08 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.927 174.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.29 -7.72 58.51 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.486 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.418 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . 44.1 m -134.2 51.08 2.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.578 -178.206 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.8 -56.48 6.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.757 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.411 ' HB ' ' CD1' ' A' ' 15' ' ' TYR . 5.0 mt 45.82 -106.41 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.372 -177.291 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -92.18 -77.32 0.44 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 178.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -140.26 50.58 1.7 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.952 0.882 . . . . 0.0 108.968 171.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.411 ' CD1' ' HB ' ' A' ' 12' ' ' ILE . 85.8 m-85 -98.14 171.0 8.51 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.951 -176.611 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.38 152.4 73.15 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.195 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.502 ' HD3' ' OD1' ' A' ' 8' ' ' ASN . 74.2 Cg_endo -79.93 114.57 3.17 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.562 2.174 . . . . 0.0 112.019 178.442 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.697 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 49.4 m-85 -125.26 113.98 18.34 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.431 -178.527 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -79.93 113.06 17.8 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 175.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.497 ' O ' ' HB1' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -109.97 147.27 33.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.159 0.504 . . . . 0.0 112.299 -172.51 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.406 ' HB2' ' H ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -118.18 -154.63 0.57 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.364 -0.834 . . . . 0.0 108.949 174.268 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.406 ' H ' ' HB2' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -126.79 135.51 51.14 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.609 0.242 . . . . 0.0 110.833 -179.624 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' A' ' 29' ' ' LEU . 30.6 mmt -94.74 134.55 37.22 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 176.484 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.57 -62.18 1.71 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.704 -175.549 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.67 -37.31 6.52 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.664 -176.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.87 137.33 40.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.792 0.329 . . . . 0.0 110.699 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.45 71.25 9.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.077 0.465 . . . . 0.0 110.835 -179.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.2 m -161.09 179.77 8.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.916 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.439 ' O ' ' HG2' ' A' ' 23' ' ' MET . 1.0 OUTLIER -98.19 -69.24 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.036 0.446 . . . . 0.0 110.897 -178.87 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.704 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 107.7 95.35 2.39 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -176.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.697 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 0.8 OUTLIER -114.57 152.63 31.46 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.886 0.374 . . . . 0.0 111.289 -173.257 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.7 t -120.21 138.43 50.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 171.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.0 p -79.42 134.38 27.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.12 0.486 . . . . 0.0 110.935 -177.214 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.33 118.6 13.19 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.932 176.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.495 ' O ' ' HB ' ' A' ' 36' ' ' ILE . 0.6 OUTLIER -90.0 0.75 8.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 120.685 0.279 . . . . 0.0 110.712 -176.846 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.495 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 64.1 mt 77.35 113.88 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.995 -177.01 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.19 20.7 54.49 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 -175.038 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.31 130.25 54.19 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.925 0.393 . . . . 0.0 111.327 -175.059 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.16 93.03 9.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.445 178.625 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.455 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 99.1 m -79.92 117.33 20.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.109 178.504 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.511 ' HA2' ' HA ' ' A' ' 2' ' ' ALA . . . -79.06 -28.02 54.87 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.663 -0.779 . . . . 0.0 111.199 177.194 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.497 ' HB1' ' O ' ' A' ' 20' ' ' CYS . . . -79.53 154.37 28.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.54 -0.33 . . . . 0.0 110.143 176.652 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.51 123.1 15.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.966 0.412 . . . . 0.0 111.341 -176.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.466 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 3.9 t -76.39 121.83 29.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.785 -178.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.419 ' HG3' ' HB2' ' A' ' 20' ' ' CYS . 0.4 OUTLIER -116.56 154.5 30.34 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.272 178.75 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.573 ' HB2' ' HB3' ' A' ' 68' ' ' ALA . 2.8 m -103.11 97.34 7.45 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.159 0.504 . . . . 0.0 110.089 176.776 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.582 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 48.1 m -107.2 155.98 19.33 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.436 -178.313 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -88.07 -33.56 18.26 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 174.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.458 ' CG ' ' H ' ' A' ' 50' ' ' ASP . 4.9 t70 56.7 -156.44 0.29 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-N 114.729 -1.123 . . . . 0.0 111.084 -179.153 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.458 ' H ' ' CG ' ' A' ' 49' ' ' ASP . 7.6 t0 -144.12 57.84 1.34 Allowed 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 176.311 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.426 ' H ' HG22 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -58.13 123.2 9.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 114.858 -1.064 . . . . 0.0 111.707 -174.32 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.43 -32.17 11.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.488 178.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -157.88 -96.29 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.095 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.21 -35.34 9.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.086 0.47 . . . . 0.0 111.012 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 104.27 -140.37 14.93 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.093 -178.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -150.28 171.39 17.03 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -176.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.64 -13.66 59.85 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.092 0.472 . . . . 0.0 110.538 -178.561 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -147.92 95.88 2.56 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.993 175.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.444 HD13 ' HE1' ' A' ' 18' ' ' TYR . 2.2 mp -90.53 92.84 9.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.869 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.704 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 2.6 mp -79.65 80.92 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.555 0.693 . . . . 0.0 110.391 -179.522 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.432 ' H ' HG13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -100.53 -167.48 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.732 178.63 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.85 165.93 21.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.207 179.586 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.5 23.81 0.39 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.846 -175.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.78 -27.71 40.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.827 -178.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.445 ' OD1' ' HB3' ' A' ' 47' ' ' CYS . 18.6 p30 -112.3 -7.96 13.96 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.154 0.502 . . . . 0.0 110.949 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.582 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 56.0 m -82.05 105.76 13.41 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.737 176.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -82.32 -15.28 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.311 0.577 . . . . 0.0 110.524 178.526 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.573 ' HB3' ' HB2' ' A' ' 46' ' ' CYS . . . . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.737 -0.649 . . . . 0.0 110.185 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.882 0 CA-C-O 121.023 0.44 . . . . 0.0 110.467 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.682 ' HA ' ' HA2' ' A' ' 41' ' ' GLY . . . -127.69 141.48 51.59 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.888 178.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.9 134.48 49.36 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.018 0.437 . . . . 0.0 111.037 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.575 HG23 ' HG2' ' A' ' 39' ' ' GLN . 0.2 OUTLIER -89.35 109.47 20.37 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.158 178.719 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.44 ' O ' HG13 ' A' ' 5' ' ' ILE . 1.0 OUTLIER -92.81 147.87 5.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.428 -179.541 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -116.91 -146.27 8.37 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.478 -177.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -80.78 -24.22 5.11 Favored 'Trans proline' 0 CA--C 1.529 0.236 0 C-N-CA 122.742 2.294 . . . . 0.0 112.997 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -126.13 43.84 2.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.121 0.486 . . . . 0.0 111.285 -175.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.474 ' HB ' ' HB3' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -79.65 2.62 21.85 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.134 0.492 . . . . 0.0 110.838 177.031 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.0 t -141.89 74.26 1.45 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.737 178.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.68 51.56 1.91 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.043 -179.251 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.7 mt -134.68 96.18 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.34 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 t70 57.38 -131.28 1.49 Allowed 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.147 175.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -109.74 55.16 0.64 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.626 0.726 . . . . 0.0 109.872 177.241 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -105.65 159.33 16.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.618 176.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.722 ' HE3' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -114.6 150.74 44.42 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-O 120.66 0.266 . . . . 0.0 110.823 -174.873 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.474 ' HB3' ' HB ' ' A' ' 9' ' ' THR . 5.8 Cg_exo -78.75 110.71 2.85 Favored 'Trans proline' 0 N--CA 1.455 -0.766 0 C-N-CA 122.715 2.277 . . . . 0.0 110.964 177.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.875 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 19.7 m-85 -113.65 137.49 51.53 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.607 -175.663 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.455 ' HB3' ' HB3' ' A' ' 40' ' ' CYS . 4.0 m -103.96 86.46 2.59 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.341 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.76 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 3.9 m -96.16 135.33 38.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.986 -172.042 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -74.3 110.36 8.53 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 173.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -93.93 91.2 6.79 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.147 0.499 . . . . 0.0 110.207 -178.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.11 153.74 25.91 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.898 -178.492 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.7 m -87.25 141.78 28.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.691 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.23 -55.09 4.93 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.13 -178.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.8 132.74 34.8 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.986 0.422 . . . . 0.0 110.782 178.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -113.75 54.91 0.73 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.117 0.484 . . . . 0.0 110.525 -179.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.8 -22.62 18.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.399 -178.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.465 ' HB3' ' HB ' ' A' ' 61' ' ' ILE . 0.1 OUTLIER 53.07 69.49 0.69 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.0 0.429 . . . . 0.0 110.876 -177.655 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -74.53 94.84 0.86 Allowed Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.875 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 4.2 t -108.58 150.13 27.92 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -168.576 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.4 t -118.46 147.17 22.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.956 172.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.8 t -71.27 125.9 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.638 0.256 . . . . 0.0 111.033 -178.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -92.2 125.3 8.04 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.861 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -103.69 171.31 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.228 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.9 mp -63.34 109.02 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.827 0.346 . . . . 0.0 110.906 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.5 43.01 3.27 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.485 178.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.2 m -110.79 131.79 54.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.859 0.361 . . . . 0.0 110.877 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.575 ' HG2' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -97.42 71.33 2.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.026 -0.533 . . . . 0.0 109.761 179.47 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.455 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 30.0 m -71.16 120.52 16.85 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.009 -176.352 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.682 ' HA2' ' HA ' ' A' ' 2' ' ' ALA . . . -86.58 52.08 4.42 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.154 178.53 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -153.67 -160.59 1.13 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 -179.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.76 126.19 34.43 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.871 0.367 . . . . 0.0 110.707 179.195 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.2 t -79.67 118.28 26.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.38 151.93 37.67 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.23 0.538 . . . . 0.0 111.498 -174.5 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -108.52 98.04 7.62 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.325 175.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 50.5 m -133.79 163.15 30.13 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.079 0.466 . . . . 0.0 111.382 -175.031 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.722 ' HG2' ' HE3' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -114.87 -50.31 2.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.319 172.73 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.3 t70 50.5 -138.88 0.96 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.637 -175.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -135.88 100.65 4.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.893 0.378 . . . . 0.0 110.391 177.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.65 97.5 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.34 -179.441 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.26 -67.4 0.76 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.374 179.165 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -101.11 139.34 36.93 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 175.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.29 -9.41 59.22 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.268 0.556 . . . . 0.0 110.278 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -117.53 60.38 0.46 Allowed Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 174.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.648 HD22 ' HG ' ' A' ' 59' ' ' LEU . 3.5 t30 -105.7 111.12 23.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.894 0.378 . . . . 0.0 110.648 -178.528 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.33 -9.25 59.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.638 -177.356 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -152.94 107.44 3.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.876 0.37 . . . . 0.0 110.808 177.278 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.648 ' HG ' HD22 ' A' ' 56' ' ' ASN . 0.5 OUTLIER -106.38 125.04 50.51 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.057 178.762 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 22.5 mm -81.96 109.87 16.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 171.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.465 ' HB ' ' HB3' ' A' ' 29' ' ' LEU . 55.2 mt -99.84 138.34 24.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.229 0.537 . . . . 0.0 111.711 -171.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -79.49 126.0 30.29 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.37 173.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.44 -22.35 61.35 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -175.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.05 -13.61 59.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.445 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -98.4 18.19 17.09 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.404 0.621 . . . . 0.0 110.512 -177.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 97.3 m -114.5 161.25 18.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.066 175.109 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.2 t -79.37 -46.83 22.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.35 0.595 . . . . 0.0 109.703 175.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.948 0 CA-C-O 117.837 -1.078 . . . . 0.0 108.988 178.786 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.989 0 CA-C-O 120.646 0.26 . . . . 0.0 110.567 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -160.27 160.73 32.93 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.764 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.79 118.67 21.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.031 0.443 . . . . 0.0 110.525 177.198 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.1 93.3 7.74 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.833 -179.521 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.464 HG13 ' N ' ' A' ' 6' ' ' GLY . 0.0 OUTLIER -79.01 134.4 27.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.894 -174.763 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.464 ' N ' HG13 ' A' ' 5' ' ' ILE . . . -129.4 -160.26 10.15 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.403 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -82.56 5.65 6.26 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.744 2.296 . . . . 0.0 112.88 -177.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -143.15 30.68 1.41 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.758 0.313 . . . . 0.0 111.475 -176.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.2 m -79.47 -22.84 43.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.029 0.442 . . . . 0.0 110.744 176.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.507 ' HB2' ' HG3' ' A' ' 17' ' ' PRO . 1.2 m -122.38 -96.39 0.47 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.96 177.074 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 m 60.3 28.67 18.29 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 174.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.6 mt -70.57 -33.68 54.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.194 0.521 . . . . 0.0 109.724 176.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.436 ' C ' ' H ' ' A' ' 15' ' ' TYR . 23.5 t70 177.2 -124.96 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 114.986 -1.006 . . . . 0.0 108.624 178.155 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -80.64 20.95 0.69 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.788 0.804 . . . . 0.0 109.724 173.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.881 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . 86.2 m-85 -91.8 102.0 14.6 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.698 177.234 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -79.42 151.24 74.69 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.843 -178.854 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.507 ' HG3' ' HB2' ' A' ' 10' ' ' CYS . 5.8 Cg_exo -79.11 117.15 3.79 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 123.11 2.54 . . . . 0.0 112.048 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.487 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 47.4 m-85 -125.76 135.34 51.94 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.932 -178.447 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.2 93.01 8.56 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.644 177.607 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.696 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -81.97 109.94 16.78 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.296 0.569 . . . . 0.0 111.883 -173.324 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -81.68 112.1 18.56 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.812 172.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.2 m -79.37 104.58 10.08 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.14 142.53 31.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.094 -174.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.13 127.32 45.07 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.783 178.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.35 -57.36 3.9 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.251 -175.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.78 108.67 9.97 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 175.183 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.13 68.8 5.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.122 0.487 . . . . 0.0 110.891 -177.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 m -147.35 150.83 35.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.375 178.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 67.2 mt -96.74 112.03 23.95 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.33 -179.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.461 ' HA2' ' HE2' ' A' ' 58' ' ' PHE . . . -84.06 68.98 3.43 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 178.72 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.696 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -86.02 83.28 7.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.367 0.603 . . . . 0.0 110.42 -174.214 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.438 HG13 ' HB2' ' A' ' 58' ' ' PHE . 1.6 t -68.37 132.63 32.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.256 178.552 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.434 ' HA ' ' CD1' ' A' ' 18' ' ' TYR . 7.3 p -59.71 130.19 23.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-O 121.096 0.474 . . . . 0.0 110.672 -177.57 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.43 ' HA3' HD13 ' A' ' 5' ' ' ILE . . . -73.38 120.6 7.13 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.485 -177.715 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -90.1 124.51 42.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 177.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.4 mt -62.63 123.62 15.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.205 -178.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.73 39.19 7.2 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.145 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.91 159.18 42.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.909 0.385 . . . . 0.0 111.117 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -92.07 93.06 8.55 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 177.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.73 -64.02 1.09 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.411 -177.736 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.03 -45.16 1.71 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.953 -0.642 . . . . 0.0 111.97 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.52 -179.88 7.57 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.945 0.402 . . . . 0.0 111.086 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.18 98.91 4.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.148 -179.394 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.7 t -75.27 113.22 13.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.106 176.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.607 ' HD2' ' HB3' ' A' ' 66' ' ' CYS . 0.3 OUTLIER -125.55 173.46 8.93 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.038 179.777 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.881 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 35.8 m -99.96 132.93 45.02 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.982 0.42 . . . . 0.0 110.64 -178.112 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 36.3 m -129.63 139.21 51.49 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.547 178.473 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.78 48.12 1.59 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.627 0.727 . . . . 0.0 109.271 174.583 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.478 ' HB2' HG21 ' A' ' 61' ' ' ILE . 1.5 t70 -82.68 119.88 24.87 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 175.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.67 70.54 7.79 Favored 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 120.51 -0.476 . . . . 0.0 109.772 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 p -51.27 102.14 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 114.777 -1.101 . . . . 0.0 111.824 -177.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.29 -35.31 5.02 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.113 -0.949 . . . . 0.0 108.655 173.547 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -106.21 115.37 30.11 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 114.835 -1.075 . . . . 0.0 108.537 174.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.55 140.74 38.49 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.847 0.356 . . . . 0.0 111.101 -175.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -66.75 160.91 47.16 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.694 177.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -78.75 -58.61 3.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.697 0.284 . . . . 0.0 110.36 -176.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.76 -43.41 8.63 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.351 0.596 . . . . 0.0 109.873 174.746 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.461 ' HE2' ' HA2' ' A' ' 30' ' ' GLY . 23.3 p90 -160.17 -174.45 4.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.303 177.032 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.12 130.92 47.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.139 0.495 . . . . 0.0 111.476 -175.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.8 mp -123.94 99.71 6.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.284 175.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.478 HG21 ' HB2' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -102.45 -164.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.105 -175.571 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.467 ' H ' HG22 ' A' ' 61' ' ' ILE . 6.1 t-20 -99.39 161.13 13.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.077 -179.114 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.34 9.24 4.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.121 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.95 -28.8 13.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.285 176.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -77.34 -48.6 16.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.81 177.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.607 ' HB3' ' HD2' ' A' ' 45' ' ' LYS . 96.1 m -78.98 133.27 36.86 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.739 177.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.445 ' HB ' ' H ' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -101.66 -114.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.57 -0.287 . . . . 0.0 110.696 178.859 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.445 ' H ' ' HB ' ' A' ' 67' ' ' VAL . . . . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.51 -0.757 . . . . 0.0 111.372 -175.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.477 0.901 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.18 128.02 38.97 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 177.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.29 -39.28 33.29 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -174.306 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.5 m 56.54 72.39 0.51 Allowed 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.31 0.576 . . . . 0.0 110.356 -174.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.627 HD12 ' O ' ' A' ' 6' ' ' GLY . 1.8 pt -87.59 167.61 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.512 -175.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.627 ' O ' HD12 ' A' ' 5' ' ' ILE . . . -88.96 -173.93 46.65 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 110.576 -1.01 . . . . 0.0 110.576 171.364 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -78.15 9.45 3.07 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.205 1.937 . . . . 0.0 113.017 -175.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -169.93 84.98 0.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.708 178.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.4 -38.45 34.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.78 0.324 . . . . 0.0 111.527 179.212 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.413 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . 78.4 m -119.62 122.13 40.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.245 -179.501 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.07 40.59 1.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.087 0.47 . . . . 0.0 110.413 -178.495 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.5 mp -66.64 -52.48 45.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.555 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -157.93 -108.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.157 -178.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.4 -14.09 50.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.384 0.611 . . . . 0.0 109.822 176.622 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -79.85 114.32 18.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.987 -177.089 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.723 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 26.3 mmtm -100.88 176.76 1.75 Allowed Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.666 -179.046 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.723 ' HD2' ' HB3' ' A' ' 16' ' ' LYS . 60.8 Cg_endo -76.62 121.2 5.85 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 121.496 1.464 . . . . 0.0 111.868 178.133 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.765 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 2.6 m-85 -121.16 110.2 15.91 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.693 -176.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.4 ' HB3' ' HB2' ' A' ' 40' ' ' CYS . 67.3 m -79.9 97.33 6.67 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 175.15 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.633 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 4.3 m -94.01 113.68 25.71 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.941 -170.278 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -86.3 105.32 16.58 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 172.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.83 124.41 27.95 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.629 -176.079 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 20.3 mmt -79.62 95.97 6.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.962 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.61 113.63 1.7 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.357 -177.4 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.11 -57.0 0.53 Allowed Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.916 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.28 -19.5 31.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.432 0.158 . . . . 0.0 111.38 -177.066 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 67.67 21.71 9.24 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.99 177.048 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.21 139.64 30.87 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 175.389 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.64 ' HB3' HG13 ' A' ' 61' ' ' ILE . 1.8 tp -96.76 98.19 9.94 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.919 0.39 . . . . 0.0 110.756 -178.187 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.54 75.65 2.35 Favored Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 110.603 -0.999 . . . . 0.0 110.603 177.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.765 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 0.3 OUTLIER -86.98 149.2 24.94 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.305 0.574 . . . . 0.0 112.034 -171.558 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.9 t -122.37 131.39 73.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.113 172.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.1 t -63.52 123.22 15.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.737 0.304 . . . . 0.0 110.303 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.49 134.38 19.23 Favored Glycine 0 N--CA 1.442 -0.929 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.891 -178.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.52 ' HB ' ' H ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -133.99 -144.85 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 120.843 0.354 . . . . 0.0 110.309 -179.492 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.52 ' H ' ' HB ' ' A' ' 35' ' ' VAL . 1.3 mp -78.51 115.94 21.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 120.816 0.341 . . . . 0.0 111.623 -175.444 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.57 24.96 76.14 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.9 -0.591 . . . . 0.0 113.192 174.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.2 m -69.17 112.44 5.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.267 0.556 . . . . 0.0 111.044 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.98 58.41 1.58 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.042 178.319 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.4 ' HB2' ' HB3' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -64.34 128.79 37.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.795 -178.784 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.58 53.19 3.4 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.902 178.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -160.57 -174.32 4.4 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 -177.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.78 136.78 36.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.815 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.5 t -101.41 126.11 55.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.798 0.332 . . . . 0.0 110.382 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -120.79 -177.09 3.39 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.699 179.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.521 ' HA ' ' O ' ' A' ' 16' ' ' LYS . 3.2 m -123.0 99.84 6.58 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.881 0.372 . . . . 0.0 110.067 178.368 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.64 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 0.3 OUTLIER -128.44 173.08 10.53 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.597 -175.669 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -124.49 -72.96 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 178.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.451 ' CG ' ' HB2' ' A' ' 65' ' ' ASN . 5.6 m-20 57.56 -134.13 1.18 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.51 -1.223 . . . . 0.0 111.984 170.29 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.516 ' CG ' ' HB3' ' A' ' 53' ' ' ASN . 0.2 OUTLIER -90.01 32.05 0.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.778 -171.724 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.434 ' HB ' ' OH ' ' A' ' 18' ' ' TYR . 9.4 p -63.59 -36.43 76.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-O 120.937 0.399 . . . . 0.0 111.315 -178.389 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.5 23.65 11.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.981 0.419 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.516 ' HB3' ' CG ' ' A' ' 50' ' ' ASP . 40.1 t30 -132.06 -98.81 0.3 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.359 -175.362 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.408 ' H ' ' HB3' ' A' ' 53' ' ' ASN . 0.2 OUTLIER -111.09 44.95 1.22 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.969 0.414 . . . . 0.0 111.395 -176.39 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -150.45 141.5 8.79 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.331 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -157.48 -50.87 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.867 0.365 . . . . 0.0 110.388 176.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.23 -38.1 11.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.136 0.493 . . . . 0.0 110.16 178.681 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.15 126.11 22.65 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.633 -177.677 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.41 ' HA ' HD13 ' A' ' 59' ' ' LEU . 2.9 mm? -113.71 89.86 3.2 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.195 -178.553 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.6 mp -79.62 81.07 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 176.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.64 HG13 ' HB3' ' A' ' 29' ' ' LEU . 6.6 pt -95.7 172.59 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.703 -170.767 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -107.76 3.15 24.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.667 177.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.476 ' HB2' ' CD2' ' A' ' 29' ' ' LEU . . . 61.32 21.79 12.26 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.946 -174.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.57 -23.65 45.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.159 0.504 . . . . 0.0 110.321 -176.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.451 ' HB2' ' CG ' ' A' ' 49' ' ' ASP . 12.5 m-80 -109.63 16.3 22.25 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.667 177.409 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.64 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 4.2 t -95.0 136.2 35.6 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.129 177.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.1 p -96.12 -10.18 9.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.047 0.451 . . . . 0.0 111.23 -176.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.931 0 CA-C-O 119.038 -0.505 . . . . 0.0 110.075 -178.044 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.474 0.752 0 CA-C-O 120.529 0.204 . . . . 0.0 110.469 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.452 ' HA ' ' HA2' ' A' ' 41' ' ' GLY . . . -92.51 113.4 25.67 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.921 0.391 . . . . 0.0 110.67 179.419 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.7 m -78.59 -31.6 47.27 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.494 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.796 ' HA ' ' H ' ' A' ' 40' ' ' CYS . 2.0 m 70.22 169.08 0.31 Allowed 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.537 -178.407 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.561 HG22 HG21 ' A' ' 9' ' ' THR . 16.1 pt -121.65 140.47 45.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.065 -178.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.82 -160.04 19.64 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.351 177.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.14 -17.86 13.15 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.339 2.026 . . . . 0.0 112.637 -176.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -143.45 78.02 1.58 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.958 0.409 . . . . 0.0 110.313 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.561 HG21 HG22 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -94.67 -94.28 0.18 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.408 176.383 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.33 83.41 5.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.026 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.3 m -123.78 79.07 1.67 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.162 0.506 . . . . 0.0 110.338 -178.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.484 HG22 ' H ' ' A' ' 13' ' ' ASP . 0.5 OUTLIER -101.06 -163.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.505 -179.759 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.484 ' H ' HG22 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -53.78 -60.24 3.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.572 -177.561 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -139.55 25.4 2.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.527 0.68 . . . . 0.0 111.07 179.196 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -109.96 126.9 54.4 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.692 178.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -107.07 157.66 34.84 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.81 -173.277 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -79.12 107.47 2.22 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 122.854 2.369 . . . . 0.0 111.614 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -113.13 130.16 56.28 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.586 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 68.5 m -79.92 74.21 6.67 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 176.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 67.5 m -79.99 114.86 19.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.387 -176.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -78.65 135.67 37.27 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 173.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.72 105.76 11.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.063 0.459 . . . . 0.0 110.716 -177.187 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.81 129.64 34.65 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.039 -179.475 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.87 -38.36 37.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.537 -176.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.6 41.94 2.05 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.408 -178.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.0 m -151.53 144.38 24.44 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 122.661 -0.317 . . . . 0.0 110.192 177.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.12 -21.68 33.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.96 0.409 . . . . 0.0 110.581 178.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.38 171.36 9.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.63 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 mt -116.8 148.15 41.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.816 0.341 . . . . 0.0 110.974 -178.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -107.16 102.75 1.88 Allowed Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 110.631 -0.988 . . . . 0.0 110.631 176.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.609 ' SG ' HD12 ' A' ' 61' ' ' ILE . 1.8 m -122.75 145.99 47.91 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.17 0.51 . . . . 0.0 112.021 -171.72 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.7 t -104.63 147.23 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 170.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.2 t -66.91 121.11 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.79 0.329 . . . . 0.0 110.379 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -78.3 131.54 10.97 Favored Glycine 0 N--CA 1.442 -0.939 0 CA-C-N 115.873 -0.603 . . . . 0.0 113.034 -177.172 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.48 -175.09 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 176.007 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.405 ' H ' HG13 ' A' ' 36' ' ' ILE . 3.6 mt -69.72 86.67 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.054 0.454 . . . . 0.0 110.447 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.37 40.07 3.31 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.881 179.227 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 p -83.34 -2.62 56.18 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 122.641 -0.329 . . . . 0.0 111.081 177.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.432 ' HA ' HG23 ' A' ' 4' ' ' THR . 0.8 OUTLIER 62.42 95.71 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.047 -176.197 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.796 ' H ' ' HA ' ' A' ' 4' ' ' THR . 0.1 OUTLIER -105.06 91.38 3.78 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.371 -178.698 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.452 ' HA2' ' HA ' ' A' ' 2' ' ' ALA . . . -100.21 60.76 0.69 Allowed Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 174.229 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -147.92 -158.43 0.91 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.527 0.203 . . . . 0.0 110.774 -175.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.14 -24.29 35.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.132 -179.73 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.7 t 62.24 102.29 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-O 121.068 0.461 . . . . 0.0 110.548 -176.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.632 ' HE3' ' SG ' ' A' ' 66' ' ' CYS . 27.1 mtpp -123.75 157.01 34.98 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.82 0.343 . . . . 0.0 110.937 -175.138 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.86 81.52 1.5 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.383 0.611 . . . . 0.0 109.863 -178.447 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.417 ' HB2' HD13 ' A' ' 61' ' ' ILE . 3.6 m -99.95 143.82 29.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.949 -176.19 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.37 64.34 3.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.031 0.443 . . . . 0.0 110.058 177.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -93.11 178.18 5.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.511 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -94.79 125.77 39.67 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.119 0.485 . . . . 0.0 111.76 -172.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.9 p -87.94 -10.14 10.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.646 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.33 -6.51 56.9 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.54 178.33 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -78.64 -68.76 0.62 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.981 179.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.71 -81.14 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.781 0.324 . . . . 0.0 111.166 177.745 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.488 ' H ' ' HG ' ' A' ' 59' ' ' LEU . . . 70.05 26.77 73.86 Favored Glycine 0 N--CA 1.451 -0.35 0 N-CA-C 111.362 -0.695 . . . . 0.0 111.362 -176.191 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.479 ' HB3' ' H ' ' A' ' 57' ' ' SER . 20.9 t30 -101.01 -98.59 0.26 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.721 -0.24 . . . . 0.0 110.901 -174.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.479 ' H ' ' HB3' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -79.76 -40.6 28.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.1 0.476 . . . . 0.0 110.782 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -150.41 154.9 38.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.327 -178.638 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.488 ' HG ' ' H ' ' A' ' 55' ' ' GLY . 1.5 mt -139.06 114.72 9.91 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.973 175.21 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.8 mp -81.42 105.41 11.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 175.369 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.609 HD12 ' SG ' ' A' ' 31' ' ' CYS . 11.9 mt -86.78 136.43 22.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.117 -174.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.599 ' HB3' ' OD1' ' A' ' 65' ' ' ASN . 53.5 t30 -80.34 136.08 36.32 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.203 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.83 -5.0 35.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.984 -175.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.89 -44.9 19.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.797 0.332 . . . . 0.0 110.937 179.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.599 ' OD1' ' HB3' ' A' ' 62' ' ' ASN . 1.8 p-10 -93.57 -9.97 36.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.946 0.403 . . . . 0.0 111.461 -176.373 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.632 ' SG ' ' HE3' ' A' ' 45' ' ' LYS . 38.4 t -89.07 106.07 18.2 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 172.192 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -79.81 -47.34 21.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.578 -175.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.46 -0.781 . . . . 0.0 110.198 -179.893 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 21.0 m . . . . . 0 N--CA 1.475 0.817 0 CA-C-O 120.606 0.241 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.452 ' HA ' ' HA2' ' A' ' 41' ' ' GLY . . . -81.1 115.45 20.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.99 0.424 . . . . 0.0 110.956 -176.542 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.29 135.92 53.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.557 178.676 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.05 119.56 31.86 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.367 -0.235 . . . . 0.0 110.367 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.4 pt -99.51 162.66 2.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.863 0.363 . . . . 0.0 111.204 -178.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.26 -156.56 29.73 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.958 -175.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.457 ' HA ' ' CG1' ' A' ' 36' ' ' ILE . 70.4 Cg_endo -78.4 -29.27 3.96 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.571 2.181 . . . . 0.0 112.392 -179.633 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -146.02 85.48 1.68 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.651 0.739 . . . . 0.0 110.039 178.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.33 -29.71 47.78 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.638 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -136.05 -93.36 0.26 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.724 176.212 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m 59.48 52.61 5.66 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 123.374 0.421 . . . . 0.0 111.457 176.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.5 mp -62.79 -65.92 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-O 121.199 0.523 . . . . 0.0 109.746 176.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -117.73 -74.71 0.6 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 170.111 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.758 ' HB3' ' HG3' ' A' ' 48' ' ' LYS . 5.8 t0 -127.73 23.62 6.21 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.765 0.793 . . . . 0.0 108.869 169.283 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.551 ' HD1' ' HB2' ' A' ' 48' ' ' LYS . 2.6 m-30 -80.48 86.98 5.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.89 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.478 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 3.4 mttm -78.24 161.9 68.64 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.449 -177.124 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -78.93 85.97 1.77 Allowed 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 122.763 2.309 . . . . 0.0 111.197 176.064 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.968 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 26.8 m-85 -84.37 140.45 31.56 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.913 -178.406 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.37 96.56 10.04 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 174.402 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.454 ' SG ' ' HB3' ' A' ' 29' ' ' LEU . 1.2 m -98.9 119.4 37.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.232 0.539 . . . . 0.0 112.089 -172.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.45 109.42 3.68 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 171.142 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 m -80.3 102.02 9.28 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.878 -178.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.438 ' HB2' ' O ' ' A' ' 26' ' ' SER . 7.5 mtt -79.19 127.62 32.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.053 -175.362 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.2 -24.25 37.59 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.151 -177.631 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -117.23 18.01 12.37 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.787 -177.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.438 ' O ' ' HB2' ' A' ' 23' ' ' MET . 57.1 m -157.35 141.18 15.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.723 0.297 . . . . 0.0 110.313 178.455 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.08 53.81 1.81 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.2 0.524 . . . . 0.0 110.632 178.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.28 128.97 46.85 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.014 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.454 ' HB3' ' SG ' ' A' ' 20' ' ' CYS . 74.9 mt -87.94 89.23 7.91 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.793 0.33 . . . . 0.0 111.245 -178.029 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -73.14 96.42 0.79 Allowed Glycine 0 CA--C 1.51 -0.268 0 N-CA-C 110.434 -1.066 . . . . 0.0 110.434 174.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.968 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 0.1 OUTLIER -120.87 150.94 40.28 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.482 0.658 . . . . 0.0 112.476 -166.427 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -127.82 142.98 42.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.093 -0.958 . . . . 0.0 108.785 170.023 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.8 p -69.15 126.85 30.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.1 0.476 . . . . 0.0 111.197 -176.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -104.74 133.53 11.59 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.645 177.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -127.8 -169.37 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.911 0.386 . . . . 0.0 111.301 -177.79 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.457 ' CG1' ' HA ' ' A' ' 7' ' ' PRO . 0.7 OUTLIER -56.65 116.02 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.865 -177.045 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.05 1.46 61.3 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.047 -0.596 . . . . 0.0 113.211 175.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 m -81.58 127.32 32.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 117.056 0.428 . . . . 0.0 110.652 -179.023 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -88.3 94.72 9.93 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 176.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.11 107.2 5.32 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.837 -177.382 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.452 ' HA2' ' HA ' ' A' ' 2' ' ' ALA . . . -86.69 -4.89 82.3 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.992 -0.623 . . . . 0.0 111.909 177.046 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -111.65 175.73 5.31 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 177.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.37 116.94 11.3 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.042 0.449 . . . . 0.0 110.737 -179.401 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.4 t -70.96 122.64 23.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.519 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.42 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -129.78 134.35 47.53 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.97 179.78 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.478 ' HA ' ' O ' ' A' ' 16' ' ' LYS . 5.0 m -88.53 85.48 6.84 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.106 0.479 . . . . 0.0 110.687 -179.142 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.42 ' SG ' ' HB3' ' A' ' 45' ' ' LYS . 1.4 m -118.43 166.98 12.01 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.275 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.758 ' HG3' ' HB3' ' A' ' 14' ' ' ASP . 0.9 OUTLIER -124.67 -34.0 2.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.694 0.283 . . . . 0.0 110.394 177.769 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.709 ' HB2' HG23 ' A' ' 61' ' ' ILE . 6.1 t70 56.65 -141.38 0.81 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -169.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -134.09 24.66 3.89 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 173.576 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.5 t 45.15 61.91 0.21 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.734 -175.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.05 125.92 30.06 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.224 178.412 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -78.91 54.51 1.58 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.613 0.72 . . . . 0.0 111.657 -172.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.78 16.38 11.85 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.203 173.101 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.772 ' HA3' ' HG ' ' A' ' 59' ' ' LEU . . . -136.33 122.98 2.79 Favored Glycine 0 N--CA 1.443 -0.848 0 CA-C-N 115.23 -0.896 . . . . 0.0 112.057 -178.247 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -110.61 -48.89 3.1 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.199 0.523 . . . . 0.0 109.921 176.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -118.11 -9.36 10.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.772 177.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -146.28 119.23 8.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.09 178.271 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.772 ' HG ' ' HA3' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -116.35 120.21 38.14 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.103 179.747 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.452 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 3.0 mp -86.98 110.68 20.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.892 -0.411 . . . . 0.0 109.892 178.453 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.709 HG23 ' HB2' ' A' ' 49' ' ' ASP . 1.6 mm -82.68 145.48 8.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.661 -178.632 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -75.97 140.87 42.26 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.8 173.496 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.54 -35.41 74.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 111.811 -176.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.67 -5.81 55.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.468 -177.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -104.73 27.04 8.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.525 0.679 . . . . 0.0 110.942 -176.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.5 t -136.89 171.07 15.06 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.218 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.512 HG13 ' CE2' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -78.79 -62.06 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.842 0.354 . . . . 0.0 111.129 -178.325 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.931 -0.556 . . . . 0.0 109.991 -179.088 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.476 0.851 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.96 115.03 18.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.978 0.418 . . . . 0.0 110.868 -179.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.02 133.09 49.55 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.247 178.564 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.605 HG23 ' HG3' ' A' ' 39' ' ' GLN . 0.1 OUTLIER -84.91 137.32 33.19 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.339 179.162 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.576 HD11 ' HB2' ' A' ' 38' ' ' SER . 0.6 OUTLIER -97.8 109.51 23.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 177.68 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.447 ' HA3' ' HD3' ' A' ' 7' ' ' PRO . . . -88.39 -117.5 1.4 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.162 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.447 ' HD3' ' HA3' ' A' ' 6' ' ' GLY . 5.5 Cg_exo -78.66 72.73 6.26 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 123.06 2.507 . . . . 0.0 111.997 -177.329 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 61.83 103.93 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.897 0.748 . . . . 0.0 111.525 178.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.499 ' HB ' HG22 ' A' ' 5' ' ' ILE . 4.7 m -110.24 61.46 0.6 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.058 0.456 . . . . 0.0 110.667 178.169 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.433 ' SG ' ' HA ' ' A' ' 17' ' ' PRO . 0.9 OUTLIER -160.57 99.92 1.3 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.255 -179.308 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 m -119.63 100.54 7.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.782 178.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.585 HD12 ' HB2' ' A' ' 46' ' ' CYS . 51.4 mt -142.72 -55.72 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.43 176.668 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.437 ' CG ' ' H ' ' A' ' 14' ' ' ASP . 29.6 t70 -177.35 -132.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 -179.236 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.437 ' H ' ' CG ' ' A' ' 13' ' ' ASP . 23.5 t0 -79.95 66.46 5.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.65 0.738 . . . . 0.0 109.175 173.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -132.56 135.94 46.27 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.295 -178.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 0.0 OUTLIER -100.55 154.87 36.94 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.692 -175.475 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.433 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 58.5 Cg_endo -76.9 98.4 1.22 Allowed 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.286 1.991 . . . . 0.0 111.64 177.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 1.065 ' HB3' ' HB3' ' A' ' 31' ' ' CYS . 59.5 m-85 -105.22 137.26 43.29 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.82 -177.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -86.28 89.11 7.75 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 172.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.688 ' HB3' HD22 ' A' ' 29' ' ' LEU . 90.9 m -89.09 115.38 26.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.335 -171.065 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.433 ' H ' ' HG2' ' A' ' 21' ' ' GLN . 0.8 OUTLIER -111.44 144.83 40.01 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 171.925 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.21 113.34 16.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.079 0.466 . . . . 0.0 110.833 -175.711 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.6 mmt -82.19 121.23 26.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.638 -176.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 m -81.64 80.71 7.91 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.677 -175.291 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.41 -25.05 27.72 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.928 175.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.47 -40.06 77.31 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.283 0.563 . . . . 0.0 110.553 179.333 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -168.46 -153.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.255 -0.884 . . . . 0.0 108.797 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.49 -71.64 0.67 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.957 0.408 . . . . 0.0 110.177 174.676 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.688 HD22 ' HB3' ' A' ' 20' ' ' CYS . 37.0 mt -124.52 124.9 43.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.17 0.509 . . . . 0.0 110.915 -178.405 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.631 ' HA3' ' HE2' ' A' ' 58' ' ' PHE . . . -87.65 76.03 2.05 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 175.59 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 1.065 ' HB3' ' HB3' ' A' ' 18' ' ' TYR . 36.8 m -88.52 102.03 14.52 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.958 0.409 . . . . 0.0 111.609 -173.511 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.634 HG13 ' HB2' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -82.69 138.27 19.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 174.864 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.1 p -64.61 116.09 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.251 0.548 . . . . 0.0 109.893 178.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.73 -43.33 84.92 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.715 -0.675 . . . . 0.0 113.127 -173.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.629 HG12 HG12 ' A' ' 36' ' ' ILE . 2.2 t 56.87 -112.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 -173.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.629 HG12 HG12 ' A' ' 35' ' ' VAL . 1.5 mm -134.19 131.1 55.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.594 0.235 . . . . 0.0 110.902 -178.407 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.2 -33.63 6.3 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.724 -0.75 . . . . 0.0 113.925 169.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.576 ' HB2' HD11 ' A' ' 5' ' ' ILE . 1.2 m -56.81 137.86 54.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.221 0.534 . . . . 0.0 112.217 -177.351 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.605 ' HG3' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -88.7 110.95 21.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.368 178.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.411 ' HB3' HG22 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -83.85 90.74 7.41 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.058 0.456 . . . . 0.0 110.413 179.902 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.17 0.15 80.67 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.964 177.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -120.81 -163.5 1.03 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.96 108.25 6.66 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.913 0.387 . . . . 0.0 111.2 -178.472 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.411 HG22 ' HB3' ' A' ' 40' ' ' CYS . 1.4 t -71.72 112.19 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 174.561 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt -129.66 145.73 51.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.189 0.519 . . . . 0.0 111.336 -175.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.585 ' HB2' HD12 ' A' ' 12' ' ' ILE . 13.3 m -97.5 75.61 2.5 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.622 176.715 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.542 ' HB3' ' HB2' ' A' ' 66' ' ' CYS . 58.2 m -88.77 168.86 12.13 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.617 -175.567 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.37 130.67 53.35 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.448 174.406 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -174.55 -38.06 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 178.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.7 t0 71.6 -81.17 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 114.19 -1.368 . . . . 0.0 111.46 174.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.0 t -134.7 120.34 31.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.34 -90.5 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 177.009 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -161.46 -73.6 0.06 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.909 0.385 . . . . 0.0 110.399 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.67 121.75 25.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.608 -177.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -108.12 88.89 0.55 Allowed Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 175.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -78.77 -77.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.624 0.25 . . . . 0.0 110.794 -174.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.25 -13.69 7.63 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.033 0.444 . . . . 0.0 110.239 176.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.634 ' HB2' HG13 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -160.23 -179.33 7.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.828 -179.373 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.58 141.39 31.48 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.843 0.354 . . . . 0.0 110.535 -179.525 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -115.58 133.54 61.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.823 177.167 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.927 HD13 ' HB2' ' A' ' 31' ' ' CYS . 0.9 OUTLIER -127.67 142.97 42.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.484 -173.905 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -79.6 130.78 35.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.46 44.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.052 0.453 . . . . 0.0 111.844 -177.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -126.33 -57.14 1.4 Allowed 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 174.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.26 -24.96 64.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.825 -1.079 . . . . 0.0 109.807 172.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.542 ' HB2' ' HB3' ' A' ' 47' ' ' CYS . 1.4 t -78.67 133.23 37.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.452 170.507 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.421 ' HB ' ' H ' ' A' ' 68' ' ' ALA . 14.6 m -82.8 -156.4 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.34 -176.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.421 ' H ' ' HB ' ' A' ' 67' ' ' VAL . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.431 -0.795 . . . . 0.0 110.972 -175.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.474 0.737 0 CA-C-O 120.884 0.373 . . . . 0.0 110.497 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.462 ' HA ' ' O ' ' A' ' 40' ' ' CYS . . . -79.69 111.54 16.09 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.36 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.64 127.14 50.51 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.931 0.396 . . . . 0.0 111.061 -179.347 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.774 ' HA ' ' HA ' ' A' ' 39' ' ' GLN . 0.2 OUTLIER -86.36 100.66 12.46 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.714 -178.278 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.467 ' HB ' ' OG1' ' A' ' 9' ' ' THR . 0.6 OUTLIER -77.44 155.56 5.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 CA-C-O 121.003 0.43 . . . . 0.0 110.879 -178.617 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.462 ' HA2' ' HA ' ' A' ' 36' ' ' ILE . . . -128.66 -121.41 2.37 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.717 -178.028 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.42 ' HD3' ' HA3' ' A' ' 6' ' ' GLY . 6.1 Cg_exo -79.36 81.84 2.67 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 123.249 2.633 . . . . 0.0 113.066 -175.71 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.818 ' HA ' ' HG3' ' A' ' 17' ' ' PRO . 1.6 t30 64.93 83.1 0.17 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.27 0.557 . . . . 0.0 111.124 173.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.467 ' OG1' ' HB ' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -78.78 -5.91 54.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.974 -176.084 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 96.7 m -113.07 120.41 41.24 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.716 0.293 . . . . 0.0 110.228 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -116.74 57.06 0.78 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.245 0.545 . . . . 0.0 110.44 -179.144 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.1 mt -120.91 79.83 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.3 t70 64.79 -86.08 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.796 173.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -128.82 4.14 5.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.289 0.566 . . . . 0.0 110.799 -176.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -79.82 122.25 26.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.908 0.385 . . . . 0.0 110.8 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.409 ' HB2' ' HE1' ' A' ' 18' ' ' TYR . 9.7 mttp -92.39 157.02 41.05 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.756 -175.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.818 ' HG3' ' HA ' ' A' ' 8' ' ' ASN . 72.3 Cg_endo -79.42 117.95 3.84 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.616 2.211 . . . . 0.0 111.651 175.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.858 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 11.6 m-85 -125.45 140.54 52.69 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 120.943 0.402 . . . . 0.0 110.904 -175.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.3 t -96.75 78.96 2.93 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.628 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.618 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 2.8 m -101.86 144.49 30.45 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.142 0.496 . . . . 0.0 111.839 -173.77 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -101.72 127.24 48.58 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 172.43 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.66 114.84 16.91 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.107 0.479 . . . . 0.0 110.668 -175.017 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.97 109.84 13.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.615 -179.371 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.92 109.82 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.349 -0.841 . . . . 0.0 112.003 -173.758 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.57 -2.36 31.42 Favored Glycine 0 N--CA 1.452 -0.278 0 CA-C-N 115.831 -0.622 . . . . 0.0 113.603 175.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.57 -13.87 24.05 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 117.008 0.404 . . . . 0.0 111.296 -175.568 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 71.49 -62.43 0.46 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.324 0.65 . . . . 0.0 112.186 176.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -64.35 112.37 3.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.059 0.457 . . . . 0.0 110.651 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.434 HD12 ' HB ' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -95.25 140.53 30.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.053 -174.929 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.438 ' O ' ' HG2' ' A' ' 21' ' ' GLN . . . -86.29 117.71 4.69 Favored Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 110.119 -1.193 . . . . 0.0 110.119 173.638 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.858 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 10.8 t -124.92 144.98 50.05 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -170.557 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' ' 57' ' ' SER . 21.7 t -105.59 133.37 50.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 171.421 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 36.7 t -61.32 115.88 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.62 115.69 6.07 Favored Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.124 -178.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.1 m -122.07 -177.03 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 120.686 0.279 . . . . 0.0 110.305 178.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.462 ' HA ' ' HA2' ' A' ' 6' ' ' GLY . 1.1 mp -66.24 108.12 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.548 179.207 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.24 39.68 2.58 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.498 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m -116.16 102.66 9.8 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.915 0.388 . . . . 0.0 110.704 177.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.774 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 27.6 tt0 -79.77 96.02 6.16 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.09 177.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 17.8 m -70.89 108.2 4.4 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.938 -178.221 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.88 -20.73 69.97 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 175.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -97.63 -120.08 0.13 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 178.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 53.8 m -121.03 124.91 45.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.759 0.314 . . . . 0.0 111.152 -178.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.7 p -79.57 112.16 17.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 172.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -111.5 160.43 17.15 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.07 -173.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.505 ' HB2' ' HB3' ' A' ' 68' ' ' ALA . 38.9 m -112.48 93.62 4.53 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.645 177.568 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.8 m -112.75 149.57 32.79 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.682 -176.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.14 -46.37 29.06 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 171.686 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 68.63 157.61 0.14 Allowed 'General case' 0 CA--C 1.533 0.305 0 O-C-N 124.459 1.099 . . . . 0.0 111.058 171.173 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -121.84 57.99 1.03 Allowed 'General case' 0 C--N 1.322 -0.623 0 O-C-N 122.115 -0.366 . . . . 0.0 111.067 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 p -58.43 100.32 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-O 121.81 0.814 . . . . 0.0 109.939 173.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.4 -64.95 1.07 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.092 -175.101 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -161.1 -45.1 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.495 0.664 . . . . 0.0 109.475 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.18 107.51 19.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.534 177.694 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 149.04 111.89 0.61 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.077 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -136.02 -61.14 0.71 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.861 0.362 . . . . 0.0 110.122 178.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.407 ' O ' HG13 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -79.93 -28.31 39.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.12 0.486 . . . . 0.0 110.393 178.659 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -140.7 126.9 19.69 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.808 179.014 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.03 148.62 52.77 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.232 176.268 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 40.7 mm -105.19 124.26 59.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.801 0.334 . . . . 0.0 110.388 -179.088 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.474 HG21 ' SG ' ' A' ' 66' ' ' CYS . 36.8 mt -112.51 131.12 64.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.164 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -81.66 52.76 1.97 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -175.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.434 ' HA ' HD11 ' A' ' 29' ' ' LEU . . . 65.92 -66.99 0.15 Allowed 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 173.081 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.09 -4.34 43.91 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -166.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.47 -20.78 46.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.323 0.582 . . . . 0.0 110.247 177.537 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.474 ' SG ' HG21 ' A' ' 61' ' ' ILE . 80.2 m -95.45 97.58 9.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.052 174.074 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.3 m -79.71 -30.0 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.901 0.381 . . . . 0.0 111.186 -176.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.505 ' HB3' ' HB2' ' A' ' 46' ' ' CYS . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.641 -0.695 . . . . 0.0 110.083 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.52 116.74 29.27 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.089 0.471 . . . . 0.0 110.995 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.98 100.43 12.13 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.564 178.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.42 ' O ' HG13 ' A' ' 5' ' ' ILE . 1.0 OUTLIER -82.06 150.36 4.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.352 0.596 . . . . 0.0 111.917 -172.022 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -107.31 -168.45 22.04 Favored Glycine 0 N--CA 1.445 -0.745 0 N-CA-C 110.634 -0.987 . . . . 0.0 110.634 172.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.584 ' HD3' HG23 ' A' ' 36' ' ' ILE . 89.1 Cg_endo -79.54 -0.08 10.43 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.463 2.108 . . . . 0.0 112.351 -177.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -126.33 44.06 2.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.715 -176.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.413 HG21 ' HB ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -79.93 -51.4 9.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.802 177.867 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.604 ' H ' ' HG3' ' A' ' 17' ' ' PRO . 83.4 m -124.4 99.46 6.21 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.879 178.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.56 63.63 0.61 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.328 0.585 . . . . 0.0 110.047 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.1 mt -123.71 110.57 26.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.385 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.451 ' HB3' ' H ' ' A' ' 14' ' ' ASP . 4.0 t70 60.09 -99.77 0.1 Allowed 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.581 0.551 . . . . 0.0 111.287 175.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.451 ' H ' ' HB3' ' A' ' 13' ' ' ASP . 26.8 t0 -136.25 17.99 3.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.69 0.757 . . . . 0.0 109.866 178.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -89.61 97.85 11.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.611 -177.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.8 159.27 84.72 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.024 -176.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.604 ' HG3' ' H ' ' A' ' 10' ' ' CYS . 3.7 Cg_exo -78.13 123.66 6.27 Favored 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 122.757 2.305 . . . . 0.0 111.608 176.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.849 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 23.6 m-85 -128.34 138.95 52.61 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.726 -176.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -92.65 98.65 11.56 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 176.435 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.504 ' SG ' HD12 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -104.04 138.23 40.86 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.43 0.633 . . . . 0.0 112.328 -171.784 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -123.25 127.81 49.11 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.185 -0.916 . . . . 0.0 108.914 172.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.38 133.22 37.57 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.743 0.306 . . . . 0.0 110.701 -177.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.57 155.5 28.14 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.484 -179.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -74.85 0.11 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.89 -176.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.43 29.19 10.85 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.211 -178.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.08 135.62 47.69 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.54 50.33 1.87 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.162 0.506 . . . . 0.0 111.012 -178.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.493 ' HB3' HG23 ' A' ' 60' ' ' ILE . 0.7 OUTLIER -133.55 130.79 38.94 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.34 -179.49 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.564 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 70.5 mt -86.34 115.11 23.66 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 173.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -78.83 97.78 1.52 Allowed Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 178.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.849 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -111.46 140.66 45.87 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.196 0.522 . . . . 0.0 111.786 -172.107 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.5 t -111.78 138.94 38.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 170.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.9 p -67.08 129.11 31.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.042 0.448 . . . . 0.0 110.63 -178.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.5 125.08 7.14 Favored Glycine 0 N--CA 1.441 -1.02 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.242 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.39 -178.9 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 175.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.584 HG23 ' HD3' ' A' ' 7' ' ' PRO . 1.3 mp -73.3 107.64 4.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 120.768 0.318 . . . . 0.0 110.818 -177.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.38 19.25 11.63 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.611 -0.804 . . . . 0.0 113.145 177.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m -80.29 125.1 29.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.776 0.322 . . . . 0.0 110.955 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -80.58 80.44 7.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.394 0.616 . . . . 0.0 109.721 176.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -76.72 99.88 5.23 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.201 -175.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.77 19.8 53.17 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.663 176.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -128.01 -171.25 2.4 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.93 106.04 4.08 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.788 0.327 . . . . 0.0 110.713 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.2 t -84.71 89.28 2.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.123 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.33 166.46 10.96 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.618 -177.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.436 ' HB3' ' HB3' ' A' ' 10' ' ' CYS . 0.3 OUTLIER -109.94 106.79 16.47 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.789 176.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.8 m -126.06 160.09 31.02 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.407 -176.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.34 -37.15 9.36 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.738 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 5.9 t70 30.55 -122.16 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 O-C-N 125.145 1.528 . . . . 0.0 112.295 -177.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -135.63 104.72 5.9 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.009 0.433 . . . . 0.0 110.908 175.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -106.73 17.84 6.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 172.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.98 -44.01 8.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.426 -176.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -119.9 -29.24 5.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.126 0.489 . . . . 0.0 110.809 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.35 166.7 10.27 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.644 178.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 133.53 72.32 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.419 177.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -122.32 -130.14 0.27 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.47 -0.196 . . . . 0.0 110.47 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.12 -13.06 59.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.85 0.357 . . . . 0.0 110.977 -179.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -152.34 150.55 29.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.441 177.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -147.04 137.85 23.75 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.445 176.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.493 HG23 ' HB3' ' A' ' 28' ' ' SER . 1.1 mp -105.1 119.21 53.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.564 ' HB ' ' HB2' ' A' ' 29' ' ' LEU . 79.4 mt -96.79 127.13 49.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.033 177.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -86.02 43.82 1.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.309 -178.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 68.35 -63.01 0.35 Allowed 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 176.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.26 49.76 1.0 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.212 0.529 . . . . 0.0 111.923 -172.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.738 ' ND2' ' HA ' ' A' ' 49' ' ' ASP . 1.2 t-20 -145.3 10.68 1.29 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.296 0.57 . . . . 0.0 110.581 178.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.5 t -129.22 144.95 51.4 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.056 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.3 m -107.59 12.57 8.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 121.093 0.473 . . . . 0.0 110.652 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.933 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.36 178.711 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.551 0.215 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.16 -27.32 14.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.917 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.659 ' HA ' ' HA ' ' A' ' 39' ' ' GLN . 2.0 m 60.29 90.87 0.06 Allowed 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.472 0.482 . . . . 0.0 110.785 -175.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.417 HD13 ' HB2' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -85.93 159.72 3.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.201 0.524 . . . . 0.0 111.686 -174.554 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -164.44 -155.42 8.37 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -79.53 51.73 4.0 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 123.12 2.547 . . . . 0.0 111.674 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -160.69 -16.28 0.05 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.27 -175.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.92 -33.91 45.08 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -170.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.587 ' HB2' ' HG3' ' A' ' 17' ' ' PRO . 2.9 t -114.34 135.9 53.57 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.939 0.4 . . . . 0.0 110.933 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.67 17.14 2.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.999 175.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 mt -92.97 97.07 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.657 -174.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.44 ' HB3' ' H ' ' A' ' 14' ' ' ASP . 1.1 t0 54.22 -136.48 1.32 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.739 174.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.44 ' H ' ' HB3' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -98.81 13.78 31.16 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.465 0.65 . . . . 0.0 110.882 -177.236 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.644 ' CD2' ' HB2' ' A' ' 48' ' ' LYS . 65.8 m-85 -79.34 155.75 28.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.98 179.154 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.64 154.65 50.9 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.287 -176.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.587 ' HG3' ' HB2' ' A' ' 10' ' ' CYS . 3.4 Cg_exo -78.84 134.18 11.8 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 122.711 2.274 . . . . 0.0 111.797 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.474 ' CD1' ' HA ' ' A' ' 33' ' ' VAL . 65.2 m-85 -135.04 146.77 49.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.558 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.407 ' HB3' HG13 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -79.47 71.4 6.04 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 176.492 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 64.1 m -81.82 131.21 35.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.147 -175.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -99.3 165.32 11.74 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.264 174.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.2 99.55 12.03 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.923 0.392 . . . . 0.0 110.372 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.92 104.6 16.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.624 -176.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.51 -24.39 27.34 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.09 179.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.36 -62.74 3.54 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.334 -178.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.09 147.43 32.42 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.758 0.313 . . . . 0.0 110.704 -178.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.13 58.9 3.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.468 0.651 . . . . 0.0 110.014 176.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -144.32 145.41 31.98 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.235 -0.893 . . . . 0.0 108.75 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.467 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 3.5 mm? -88.09 96.8 10.66 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.089 0.471 . . . . 0.0 111.277 -173.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -78.01 87.91 1.08 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.77 -0.728 . . . . 0.0 111.434 176.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.467 ' SG ' ' HB3' ' A' ' 29' ' ' LEU . 3.1 m -117.57 -178.41 3.47 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.258 0.552 . . . . 0.0 111.173 -177.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.407 HG13 ' HB3' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -142.22 146.93 21.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 172.316 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.474 ' HA ' ' CD1' ' A' ' 18' ' ' TYR . 4.5 t -51.29 114.22 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 O-C-N 123.415 0.447 . . . . 0.0 111.719 -176.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.31 103.34 2.27 Favored Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 111.274 -0.731 . . . . 0.0 111.274 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 m -102.41 176.29 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.5 mt -62.76 114.23 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.084 0.468 . . . . 0.0 110.367 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.45 -6.71 28.32 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.555 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.3 m -68.13 107.23 2.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.14 0.495 . . . . 0.0 110.731 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.659 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 8.9 mt-30 -80.23 72.17 7.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.326 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 24.6 m -65.11 124.3 21.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.383 -177.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -122.01 56.08 0.65 Allowed Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 111.466 -0.654 . . . . 0.0 111.466 176.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -147.38 -126.46 0.06 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.452 0.168 . . . . 0.0 110.668 -177.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.4 m -84.49 -29.9 25.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.423 0.154 . . . . 0.0 111.154 -178.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.4 t 53.69 82.43 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-O 121.272 0.558 . . . . 0.0 110.385 -176.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -114.2 168.0 10.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.265 -171.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 17.0 m -126.83 110.86 13.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.403 0.621 . . . . 0.0 110.018 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.404 ' HB3' HG21 ' A' ' 61' ' ' ILE . 62.8 m -119.99 159.28 25.03 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.485 -176.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.644 ' HB2' ' CD2' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -100.89 -58.63 1.85 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 177.029 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.612 ' HB2' HG23 ' A' ' 61' ' ' ILE . 7.3 t70 53.68 -146.66 0.53 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.135 -176.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.405 ' H ' ' CG ' ' A' ' 49' ' ' ASP . 38.8 t70 -124.91 -29.42 3.37 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 174.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 t 58.15 56.04 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.422 -179.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.92 36.37 0.56 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.356 -178.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.442 HD21 HD21 ' A' ' 59' ' ' LEU . 11.0 p30 -138.62 161.52 36.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.723 179.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.45 53.89 2.81 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.679 -177.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 62.55 70.31 1.07 Allowed Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.743 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -78.58 163.13 25.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.652 0.263 . . . . 0.0 110.652 -179.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -12.03 59.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.062 -175.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -145.39 132.37 20.26 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.663 174.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.442 HD21 HD21 ' A' ' 53' ' ' ASN . 0.1 OUTLIER -129.68 108.45 10.21 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.986 -176.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.5 mp -83.06 95.63 3.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 175.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.612 HG23 ' HB2' ' A' ' 49' ' ' ASP . 8.6 mt -86.11 147.31 5.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.622 -175.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -69.29 130.98 44.11 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.085 176.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.72 -28.79 67.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.296 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.96 -1.88 37.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.911 0.386 . . . . 0.0 110.992 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.453 ' ND2' ' HA ' ' A' ' 49' ' ' ASP . 0.9 OUTLIER -111.56 2.04 17.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.732 0.777 . . . . 0.0 109.817 176.672 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 96.4 m -108.97 127.96 54.52 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.06 174.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.0 m -105.56 -45.63 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.907 0.384 . . . . 0.0 111.035 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.843 0 CA-C-O 118.703 -0.665 . . . . 0.0 109.439 179.439 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.609 ' HB1' ' HA2' ' A' ' 41' ' ' GLY . . . . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.597 0.237 . . . . 0.0 110.667 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.586 ' O ' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -78.62 120.96 24.05 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.069 0.461 . . . . 0.0 110.515 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.77 108.31 19.78 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.58 -176.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.547 ' HB ' ' OG1' ' A' ' 9' ' ' THR . 0.5 OUTLIER -95.04 139.22 19.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.675 179.511 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.418 ' O ' ' HA ' ' A' ' 36' ' ' ILE . . . -102.66 -122.38 5.08 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.491 -0.862 . . . . 0.0 112.023 -177.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -78.55 72.19 6.49 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.514 2.143 . . . . 0.0 112.197 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 58.1 t30 66.85 98.1 0.05 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.926 175.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.547 ' OG1' ' HB ' ' A' ' 5' ' ' ILE . 0.9 OUTLIER -87.26 14.84 7.09 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.584 0.707 . . . . 0.0 110.782 177.204 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 36.5 m -134.64 55.84 1.88 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.596 176.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.19 63.35 3.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.582 0.706 . . . . 0.0 111.215 -176.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.5 mt -105.0 -57.33 4.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.72 177.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -170.18 -136.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.885 -1.052 . . . . 0.0 108.55 -177.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -81.95 57.5 3.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.652 0.739 . . . . 0.0 110.393 177.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -127.46 124.91 39.54 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.161 176.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 12.1 mmtt -92.91 153.34 41.98 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.644 -173.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 5.9 Cg_exo -78.91 101.82 1.48 Allowed 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 122.873 2.382 . . . . 0.0 111.934 178.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.582 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 31.0 m-85 -98.54 173.64 6.84 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 175.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.498 ' HB2' ' HB2' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -134.98 93.33 2.99 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.859 0.361 . . . . 0.0 110.027 176.122 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.413 ' SG ' HD12 ' A' ' 61' ' ' ILE . 1.8 m -84.87 116.24 23.21 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.87 -174.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.524 ' HG2' ' H ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -92.3 128.43 38.15 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.189 176.634 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.13 112.94 15.6 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.1 mmt -78.13 117.21 19.2 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.336 0.589 . . . . 0.0 110.591 -173.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.41 68.87 9.82 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.647 0.737 . . . . 0.0 109.812 -179.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 160.8 -55.46 0.32 Allowed Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.603 -177.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.88 129.08 35.67 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 175.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.16 57.49 3.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.149 0.5 . . . . 0.0 111.01 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -143.21 155.47 44.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.64 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.3 mt -102.94 119.09 38.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.787 0.327 . . . . 0.0 110.65 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -107.01 116.71 5.08 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.582 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -112.99 110.68 20.91 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.394 0.616 . . . . 0.0 111.207 -174.192 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.1 t -87.0 126.13 40.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.556 176.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.6 t -71.94 137.03 24.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 120.947 0.403 . . . . 0.0 111.301 -173.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -124.13 105.65 0.9 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 121.097 -0.573 . . . . 0.0 111.671 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -90.88 -174.11 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 110.477 -0.194 . . . . 0.0 110.477 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.418 ' HA ' ' O ' ' A' ' 6' ' ' GLY . 60.1 mt -61.81 113.05 0.99 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-O 120.995 0.426 . . . . 0.0 111.295 -176.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.67 26.76 26.35 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.23 178.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.9 m -114.86 159.4 20.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.013 0.435 . . . . 0.0 111.418 -178.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.586 ' HA ' ' O ' ' A' ' 3' ' ' THR . 5.3 mt-30 -115.94 103.07 10.24 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 177.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.498 ' HB2' ' HB2' ' A' ' 19' ' ' CYS . 29.3 p -76.01 -43.86 42.23 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.84 -171.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.609 ' HA2' ' HB1' ' A' ' 2' ' ' ALA . . . 135.63 -52.29 0.8 Allowed Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.033 -1.08 . . . . 0.0 114.039 173.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -129.23 -126.72 0.21 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.969 0.385 . . . . 0.0 111.57 -172.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.53 126.46 30.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.876 0.37 . . . . 0.0 111.295 -177.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 43.0 t -77.6 122.84 33.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.77 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.5 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 0.2 OUTLIER -124.75 129.8 51.17 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.342 -175.426 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.569 ' H ' ' HB3' ' A' ' 68' ' ' ALA . 27.6 m -87.16 99.21 11.77 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.218 0.532 . . . . 0.0 110.659 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.5 ' SG ' ' HB3' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -138.19 -176.45 4.45 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.333 -177.88 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -140.09 -53.57 0.52 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 176.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.577 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 2.5 t70 62.86 -157.22 0.33 Allowed 'General case' 0 C--O 1.237 0.399 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.982 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -112.62 94.3 4.85 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.002 0.43 . . . . 0.0 110.37 -178.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.3 t -84.19 70.05 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.246 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.73 -85.52 0.08 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.398 178.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -130.55 8.58 4.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.399 0.619 . . . . 0.0 109.626 177.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.56 125.44 33.78 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.622 -179.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 156.84 54.2 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.265 177.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -79.91 -65.66 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.58 -52.26 4.85 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.313 0.578 . . . . 0.0 109.499 174.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.1 p90 -158.19 179.33 9.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.114 176.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.93 112.96 25.22 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.035 0.445 . . . . 0.0 111.205 -177.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.2 mt -79.69 115.89 22.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 174.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.56 HG22 ' H ' ' A' ' 63' ' ' ALA . 8.2 mt -80.55 144.77 10.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.423 -171.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -79.73 33.89 0.27 Allowed 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.408 -178.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.56 ' H ' HG22 ' A' ' 61' ' ' ILE . . . 66.35 -79.79 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 123.868 0.867 . . . . 0.0 112.228 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.81 57.37 2.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.025 0.44 . . . . 0.0 111.79 -173.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.577 ' ND2' ' HA ' ' A' ' 49' ' ' ASP . 1.4 t-20 -143.74 17.18 1.81 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.629 0.728 . . . . 0.0 110.321 176.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.43 ' HA ' ' HB3' ' A' ' 47' ' ' CYS . 11.0 t -129.97 132.44 46.3 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.472 177.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.6 m -115.13 18.99 7.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -173.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.569 ' HB3' ' H ' ' A' ' 46' ' ' CYS . . . . . . . . 0 C--O 1.246 0.897 0 CA-C-O 118.924 -0.56 . . . . 0.0 110.176 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.993 0.425 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.31 -35.72 30.67 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.003 177.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.506 ' HA ' ' HA ' ' A' ' 39' ' ' GLN . 1.4 m 46.93 74.58 0.15 Allowed 'General case' 0 N--CA 1.463 0.191 0 O-C-N 123.651 0.594 . . . . 0.0 110.957 -176.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.2 pt -67.95 149.55 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.309 -173.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.583 ' O ' ' HA ' ' A' ' 36' ' ' ILE . . . -96.36 -136.41 8.87 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.213 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.892 ' HA ' HG12 ' A' ' 36' ' ' ILE . 5.0 Cg_exo -79.4 75.19 5.19 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 123.102 2.534 . . . . 0.0 112.305 -178.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.522 ' HA ' ' HG3' ' A' ' 17' ' ' PRO . 32.0 t30 73.1 109.85 0.07 Allowed 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 121.546 0.688 . . . . 0.0 111.17 176.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 m -79.82 -15.01 58.25 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.649 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 88.6 m -116.86 78.59 1.22 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.892 0.377 . . . . 0.0 110.79 -179.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.75 61.5 2.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.953 0.406 . . . . 0.0 111.803 -178.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.457 ' HB ' ' H ' ' A' ' 13' ' ' ASP . 1.0 OUTLIER -107.14 -93.47 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.592 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.457 ' H ' ' HB ' ' A' ' 12' ' ' ILE . 5.0 t70 -127.07 -137.01 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 176.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.454 ' O ' ' HD2' ' A' ' 48' ' ' LYS . 26.1 t70 -79.21 53.64 1.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.708 0.766 . . . . 0.0 110.58 177.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.454 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . 3.5 m-85 -113.05 89.65 3.14 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.127 178.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.26 138.45 94.42 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.257 -172.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.522 ' HG3' ' HA ' ' A' ' 8' ' ' ASN . 74.5 Cg_endo -79.38 119.8 4.27 Favored 'Trans proline' 0 C--O 1.237 0.441 0 C-N-CA 122.768 2.312 . . . . 0.0 112.099 178.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -122.87 151.75 41.42 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.059 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.61 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -85.12 85.44 7.47 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.073 178.332 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.505 ' HB3' HD22 ' A' ' 29' ' ' LEU . 89.9 m -87.85 144.57 26.51 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.712 -178.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.57 137.42 48.45 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.945 176.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.71 83.78 7.01 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 176.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.04 119.54 22.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.503 -174.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.64 127.25 32.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.246 175.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 153.76 -67.94 0.31 Allowed Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -178.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -116.62 -2.15 12.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.777 0.323 . . . . 0.0 110.509 175.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 56.81 40.9 28.74 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.505 -176.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.04 -93.88 0.07 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.654 -178.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.505 HD22 ' HB3' ' A' ' 20' ' ' CYS . 3.3 mt 178.92 -107.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.576 178.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.431 ' H ' ' HB3' ' A' ' 29' ' ' LEU . . . 104.21 110.52 3.49 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -175.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.72 ' HB2' HD12 ' A' ' 61' ' ' ILE . 3.5 m -144.04 122.22 12.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.742 0.306 . . . . 0.0 110.931 -174.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -93.47 164.19 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 174.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -68.63 119.63 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.878 0.371 . . . . 0.0 111.539 -174.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -92.03 -65.41 1.13 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.623 -0.798 . . . . 0.0 111.447 176.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.424 ' HB ' ' H ' ' A' ' 36' ' ' ILE . 4.0 t 57.23 -99.73 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 123.062 0.545 . . . . 0.0 111.873 176.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.892 HG12 ' HA ' ' A' ' 7' ' ' PRO . 66.9 mt -140.51 116.05 7.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.665 -177.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.22 49.32 5.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.909 -0.662 . . . . 0.0 113.356 175.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.3 m -121.08 133.15 55.22 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.871 0.367 . . . . 0.0 110.428 176.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.506 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -79.57 78.61 6.1 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.124 0.488 . . . . 0.0 110.657 -178.757 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.69 140.37 58.19 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.95 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -120.66 6.87 11.31 Favored Glycine 0 N--CA 1.449 -0.444 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 176.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -130.9 -130.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 -177.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.27 126.39 54.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.686 0.279 . . . . 0.0 110.665 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.0 t -82.79 110.11 17.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 177.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.1 mmpt? -118.05 153.88 32.98 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.72 -177.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.454 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -97.08 109.94 22.59 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.189 179.751 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.96 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 3.0 m -112.77 132.52 55.2 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.06 0.457 . . . . 0.0 111.17 -177.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.454 ' HB3' ' HB2' ' A' ' 65' ' ' ASN . 12.8 tptp -80.37 49.87 1.2 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.524 0.678 . . . . 0.0 109.512 172.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -109.3 96.42 6.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.2 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.9 81.78 5.15 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.769 -175.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.2 m -58.21 120.92 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.449 178.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.42 13.42 33.32 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.307 0.575 . . . . 0.0 110.726 -176.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -160.05 169.6 23.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.781 177.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.9 -26.11 43.78 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.952 0.406 . . . . 0.0 110.74 179.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 75.83 -157.69 49.14 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.795 176.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.57 -144.05 0.17 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 178.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.16 -25.9 42.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.148 0.499 . . . . 0.0 110.181 175.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -132.32 149.99 52.25 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.347 -175.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -129.03 142.74 50.81 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.023 177.467 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.8 mp -120.25 106.45 18.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 120.968 0.413 . . . . 0.0 110.352 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.72 HD12 ' HB2' ' A' ' 31' ' ' CYS . 4.3 mt -96.31 145.81 8.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.809 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -81.35 145.23 30.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.929 0.395 . . . . 0.0 111.4 -176.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.98 61.99 1.57 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.364 0.602 . . . . 0.0 110.391 175.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.34 -58.45 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.721 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.454 ' HB2' ' HB3' ' A' ' 48' ' ' LYS . 32.3 p-10 -79.52 -30.43 41.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.091 175.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.96 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 8.7 t -79.24 130.18 35.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.959 170.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 46' ' ' CYS . 17.0 m -100.2 178.84 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.173 179.243 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.498 -0.763 . . . . 0.0 110.624 -177.983 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.518 ' HB1' ' HA2' ' A' ' 41' ' ' GLY . . . . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.723 0.297 . . . . 0.0 110.409 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.93 128.94 34.9 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.818 -176.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.07 135.91 36.04 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 176.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.468 HG22 HG22 ' A' ' 44' ' ' VAL . 1.0 OUTLIER -95.17 148.86 4.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.048 0.451 . . . . 0.0 111.361 -175.768 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -88.8 168.7 36.14 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.453 175.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.709 ' HB3' HG23 ' A' ' 36' ' ' ILE . 2.7 Cg_exo -77.9 -28.5 5.01 Favored 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 122.812 2.342 . . . . 0.0 112.499 -177.348 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -126.49 49.81 1.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.988 0.423 . . . . 0.0 110.96 -177.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.05 -5.6 54.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.197 0.523 . . . . 0.0 110.926 177.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 92.5 m -105.18 114.63 28.93 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.316 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.48 61.44 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.559 0.695 . . . . 0.0 110.183 177.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.481 HD13 HG21 ' A' ' 67' ' ' VAL . 9.1 mt -126.42 -79.92 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.68 -177.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -149.44 -142.2 0.12 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -79.76 75.26 6.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.471 0.653 . . . . 0.0 109.848 175.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -126.98 145.65 50.62 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.537 179.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.82 147.45 35.45 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.3 -175.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -79.03 106.28 2.06 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 122.647 2.231 . . . . 0.0 111.675 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -109.27 157.26 19.01 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.164 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 51.5 t -102.05 89.24 3.56 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.582 175.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.542 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 0.6 OUTLIER -84.4 116.26 22.96 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.021 -176.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -78.42 115.92 18.46 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.559 175.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.36 80.22 5.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.314 0.578 . . . . 0.0 110.398 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 44.4 mtm -79.92 81.31 6.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.191 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 m -56.51 115.89 2.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.677 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.88 -1.13 9.99 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 110.611 -0.995 . . . . 0.0 110.611 -174.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.43 130.76 15.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.217 -0.492 . . . . 0.0 109.777 179.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.11 42.49 0.99 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.398 0.618 . . . . 0.0 110.589 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -122.88 114.3 20.29 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.297 -179.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.447 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 0.3 OUTLIER -81.54 104.65 12.11 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.16 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 20' ' ' CYS . . . -84.44 84.36 1.59 Allowed Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 179.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.542 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 0.8 OUTLIER -94.31 91.16 6.58 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.324 0.583 . . . . 0.0 110.681 -174.16 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.825 ' HA ' ' HB2' ' A' ' 58' ' ' PHE . 1.7 t -69.47 144.21 14.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.786 177.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.8 t -58.03 115.78 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.815 0.34 . . . . 0.0 111.188 -176.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -90.73 93.28 1.84 Allowed Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 111.547 -0.621 . . . . 0.0 111.547 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -82.5 166.46 2.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 120.787 0.327 . . . . 0.0 110.355 -178.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.709 HG23 ' HB3' ' A' ' 7' ' ' PRO . 29.0 mm -64.45 111.9 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.299 -175.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.38 27.3 40.12 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.327 178.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.7 m -102.3 146.36 28.13 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.071 0.463 . . . . 0.0 110.96 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.448 ' NE2' ' HB3' ' A' ' 2' ' ' ALA . 0.8 OUTLIER -80.93 131.86 35.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.464 179.598 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.42 ' HB2' ' CG2' ' A' ' 5' ' ' ILE . 42.4 t -91.64 -69.6 0.73 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.759 178.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.518 ' HA2' ' HB1' ' A' ' 2' ' ' ALA . . . 99.5 -39.15 2.83 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.83 -176.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -99.44 -100.27 0.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.479 0.18 . . . . 0.0 111.126 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.31 133.25 29.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.672 0.272 . . . . 0.0 111.337 -177.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.468 HG22 HG22 ' A' ' 5' ' ' ILE . 2.8 t -79.77 110.87 15.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.672 175.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.537 ' HG3' ' HB2' ' A' ' 20' ' ' CYS . 15.7 mtpp -119.67 135.86 54.64 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.605 -177.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 72.1 m -95.06 83.69 3.97 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.311 0.577 . . . . 0.0 110.103 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.6 m -109.55 -171.68 1.89 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.317 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -134.5 -58.1 0.83 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 176.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.559 ' HA ' ' CG ' ' A' ' 65' ' ' ASN . 4.9 t70 53.17 -141.77 0.84 Allowed 'General case' 0 C--O 1.235 0.316 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.404 -176.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.583 ' CG ' ' HB2' ' A' ' 53' ' ' ASN . 11.2 t0 -130.56 105.64 7.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.0 0.428 . . . . 0.0 110.672 177.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.563 HG12 HD11 ' A' ' 59' ' ' LEU . 16.5 m -79.19 -15.68 13.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.822 -177.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.417 HG23 ' OD1' ' A' ' 50' ' ' ASP . 0.2 OUTLIER -103.69 -30.97 10.1 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.282 -175.204 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.583 ' HB2' ' CG ' ' A' ' 50' ' ' ASP . 3.3 m-20 -79.78 -54.27 6.0 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.849 0.357 . . . . 0.0 110.8 177.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.05 76.3 6.78 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 121.057 0.456 . . . . 0.0 110.924 -178.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -70.15 103.24 1.12 Allowed Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.481 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.489 HD22 ' HA ' ' A' ' 56' ' ' ASN . 0.6 OUTLIER -160.37 173.11 16.12 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 176.796 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.87 -9.65 59.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.269 0.557 . . . . 0.0 110.891 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.825 ' HB2' ' HA ' ' A' ' 32' ' ' VAL . 4.5 p90 -151.24 150.95 31.17 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.161 175.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.563 HD11 HG12 ' A' ' 51' ' ' VAL . 21.0 mt -100.94 115.18 29.82 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.123 0.487 . . . . 0.0 111.459 -172.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.2 mt -82.6 111.22 18.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 171.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.513 HD11 ' HB2' ' A' ' 31' ' ' CYS . 7.7 mm -77.48 135.74 25.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.868 0.366 . . . . 0.0 110.795 -173.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -79.36 40.26 0.42 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.565 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 64.27 -73.22 0.05 Allowed 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.511 0.724 . . . . 0.0 111.901 -178.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.79 59.81 3.23 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.212 0.53 . . . . 0.0 111.982 -174.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.559 ' CG ' ' HA ' ' A' ' 49' ' ' ASP . 0.9 OUTLIER -151.23 23.34 0.73 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.841 0.829 . . . . 0.0 109.894 173.406 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 5.5 t -135.99 162.94 31.47 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.472 -1.24 . . . . 0.0 109.009 177.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.481 HG21 HD13 ' A' ' 12' ' ' ILE . 3.2 t -79.88 -78.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.855 0.36 . . . . 0.0 110.896 -179.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.15 0 CA-C-O 117.975 -1.012 . . . . 0.0 109.717 -179.464 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 120.481 0.182 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.44 131.83 35.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.142 0.496 . . . . 0.0 111.358 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.5 m -79.58 104.95 10.53 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.166 176.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -108.93 154.37 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.935 0.398 . . . . 0.0 110.906 -178.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -159.57 -146.67 4.64 Favored Glycine 0 N--CA 1.445 -0.732 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.989 -179.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -88.79 22.77 0.81 Allowed 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 123.268 2.646 . . . . 0.0 113.305 -177.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.423 ' HA ' ' OG ' ' A' ' 11' ' ' SER . 1.9 p-10 -150.49 19.87 0.83 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.974 0.416 . . . . 0.0 111.6 179.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -93.06 -29.43 15.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.119 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.81 46.8 2.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.459 0.647 . . . . 0.0 109.672 177.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.423 ' OG ' ' HA ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -79.41 61.91 3.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.672 -176.378 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.43 ' HB ' ' H ' ' A' ' 13' ' ' ASP . 13.6 mt -98.41 -89.23 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.956 176.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.43 ' H ' ' HB ' ' A' ' 12' ' ' ILE . 8.3 t70 -113.09 -139.26 0.38 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 177.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -85.78 19.36 2.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.681 0.753 . . . . 0.0 109.606 173.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -78.59 137.36 37.83 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.122 -0.945 . . . . 0.0 108.88 176.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.89 153.49 39.32 Favored Pre-proline 0 C--N 1.319 -0.749 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.545 -174.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -76.7 103.23 1.72 Allowed 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 122.342 2.028 . . . . 0.0 111.167 176.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.836 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 51.5 m-85 -105.39 120.1 40.75 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.773 -177.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.509 ' HA ' ' O ' ' A' ' 43' ' ' SER . 63.7 m -99.08 102.02 13.58 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.322 0.582 . . . . 0.0 110.409 -177.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.495 ' HB3' ' HA ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -127.64 175.8 8.01 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.049 -175.572 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -110.96 147.54 34.47 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 174.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.02 120.19 23.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.805 0.336 . . . . 0.0 110.94 -177.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.437 ' SD ' ' HA ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -80.15 -156.09 0.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.591 178.526 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.9 69.95 2.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.087 0.47 . . . . 0.0 110.91 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.93 -86.5 0.77 Allowed Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.676 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.21 119.54 25.42 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.676 0.274 . . . . 0.0 110.304 -177.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -168.17 -178.4 3.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.765 -178.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.23 81.09 3.02 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 173.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.437 ' HA ' ' SD ' ' A' ' 23' ' ' MET . 0.5 OUTLIER -72.71 140.93 48.16 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.737 -172.645 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.08 122.24 5.78 Favored Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.586 178.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.836 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 11.1 t -125.66 160.88 28.55 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 120.666 0.27 . . . . 0.0 111.329 -174.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.8 t -124.62 130.81 73.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 173.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.3 p -66.44 125.71 24.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 178.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.01 -42.27 96.85 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.757 -176.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.0 t 72.32 149.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 122.998 0.519 . . . . 0.0 110.471 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.6 mm -74.25 111.81 10.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.129 -176.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.67 55.92 1.95 Allowed Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.423 177.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.09 165.2 28.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.932 0.396 . . . . 0.0 111.243 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -100.91 95.33 6.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.916 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -74.65 116.81 15.77 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.119 0.485 . . . . 0.0 111.199 -175.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.11 36.37 3.69 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.103 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.403 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . . . -156.1 178.42 10.31 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 -177.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.509 ' O ' ' HA ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -74.97 123.27 24.83 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.037 -178.212 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.4 t -82.01 113.77 21.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.925 0.393 . . . . 0.0 111.114 -177.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -110.69 178.11 4.47 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.972 177.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -132.01 96.1 3.83 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.334 0.588 . . . . 0.0 110.231 179.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.1 m -123.93 -178.49 4.08 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.063 -178.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.59 -61.61 1.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.706 0.288 . . . . 0.0 110.552 178.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 t70 53.34 -137.42 1.23 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.792 -172.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -159.97 96.84 1.25 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.043 0.449 . . . . 0.0 111.065 175.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.2 t -77.12 65.9 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.362 0.601 . . . . 0.0 110.596 177.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.21 -33.11 26.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.731 178.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -160.36 -38.1 0.05 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.788 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.51 125.1 28.81 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.725 -177.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.721 ' HA2' ' HG ' ' A' ' 59' ' ' LEU . . . 147.35 73.77 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 111.411 -0.675 . . . . 0.0 111.411 -177.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.463 ' HB3' ' H ' ' A' ' 57' ' ' SER . 3.1 t-20 -117.51 -98.07 0.45 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.463 ' H ' ' HB3' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -79.95 -31.29 39.97 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.481 0.658 . . . . 0.0 109.896 175.638 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -142.25 149.58 39.79 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.531 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.721 ' HG ' ' HA2' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -130.28 110.03 11.23 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 174.848 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.1 mp -79.79 114.43 20.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.8 mt -80.95 133.67 28.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.279 -177.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -78.31 37.59 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 112.029 -177.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 62.85 -84.66 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 173.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.55 48.71 0.94 Allowed 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -166.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -134.74 -6.16 2.47 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.266 0.555 . . . . 0.0 109.946 172.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.9 t -88.68 135.47 33.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.474 172.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -79.36 -47.75 21.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 121.146 -0.222 . . . . 0.0 111.26 -174.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.837 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.515 -177.236 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.46 ' HA ' ' CA ' ' A' ' 41' ' ' GLY . . . . . . . . 0 N--CA 1.455 -0.181 0 CA-C-O 121.033 0.444 . . . . 0.0 110.145 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.98 142.27 27.67 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.152 -176.096 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.48 124.82 39.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.583 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.49 ' O ' HG13 ' A' ' 5' ' ' ILE . 0.4 OUTLIER -94.8 143.33 11.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.365 178.849 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.424 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -109.48 -128.59 5.63 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.532 -177.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -79.39 73.59 5.95 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.987 2.458 . . . . 0.0 112.942 -175.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 69.78 104.43 0.06 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.349 177.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.39 -2.7 58.51 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.276 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 m -102.14 52.97 0.81 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.243 0.544 . . . . 0.0 111.133 -176.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.72 53.33 0.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.305 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.8 mm -109.29 -37.26 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.284 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.0 t70 175.64 -147.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -175.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -81.01 68.61 7.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.603 0.716 . . . . 0.0 109.548 172.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.651 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . 29.4 m-85 -121.88 137.81 54.64 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.575 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.454 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -98.97 138.94 20.71 Favored Pre-proline 0 C--N 1.32 -0.715 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 -178.416 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 4.8 Cg_exo -77.97 119.3 4.66 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 123.057 2.505 . . . . 0.0 112.189 -176.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.434 ' CD1' ' HA ' ' A' ' 33' ' ' VAL . 66.5 m-85 -130.22 141.0 50.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.878 177.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.4 m -92.16 99.9 12.62 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.122 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.563 ' SG ' HD12 ' A' ' 29' ' ' LEU . 1.3 m -88.65 123.82 33.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.917 -176.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.856 ' HB2' ' HZ ' ' A' ' 58' ' ' PHE . 27.0 mt-30 -91.43 115.61 28.17 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 172.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.9 m -79.34 117.78 20.64 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.89 -178.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.415 ' HB2' ' O ' ' A' ' 28' ' ' SER . 1.1 mpp? -79.83 69.59 6.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.252 -175.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.473 ' HB2' ' H ' ' A' ' 25' ' ' GLY . 0.7 OUTLIER 45.91 -107.2 0.14 Allowed 'General case' 0 C--O 1.237 0.442 0 O-C-N 123.998 0.811 . . . . 0.0 111.829 176.201 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.473 ' H ' ' HB2' ' A' ' 24' ' ' SER . . . -127.87 29.97 4.05 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.497 -178.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.62 -2.83 58.83 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.647 -0.325 . . . . 0.0 110.806 177.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 62.64 33.56 15.61 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.813 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' A' ' 23' ' ' MET . 0.3 OUTLIER -135.82 156.67 48.43 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.458 178.246 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.563 HD12 ' SG ' ' A' ' 20' ' ' CYS . 1.1 pt? -156.09 163.12 40.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.794 0.331 . . . . 0.0 110.739 -178.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.502 ' O ' ' HA ' ' A' ' 20' ' ' CYS . . . -141.47 140.33 10.16 Favored Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 18' ' ' TYR . 0.1 OUTLIER -120.57 115.16 22.87 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.008 0.432 . . . . 0.0 110.765 -173.663 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.02 155.23 3.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 175.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.434 ' HA ' ' CD1' ' A' ' 18' ' ' TYR . 13.7 p -63.79 124.57 18.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.405 0.621 . . . . 0.0 111.686 -174.096 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.29 73.9 0.32 Allowed Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.56 178.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -78.14 168.45 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.424 HG22 ' O ' ' A' ' 6' ' ' GLY . 1.3 pt -59.83 132.2 24.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.217 0.532 . . . . 0.0 111.221 -177.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.05 23.75 47.62 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.796 -0.716 . . . . 0.0 113.017 178.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.3 m -96.17 149.3 21.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.047 0.451 . . . . 0.0 110.934 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -108.42 99.03 8.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.857 178.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 68.5 m -114.77 113.59 24.46 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.166 0.508 . . . . 0.0 111.17 -176.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.46 ' CA ' ' HA ' ' A' ' 2' ' ' ALA . . . -98.57 52.71 1.16 Allowed Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.645 176.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -149.65 -173.75 4.49 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 -177.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.09 88.38 2.42 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.911 0.386 . . . . 0.0 111.172 -179.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.5 t -66.73 127.79 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 176.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.478 ' HB3' ' SG ' ' A' ' 66' ' ' CYS . 0.5 OUTLIER -135.19 170.98 15.08 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.076 0.465 . . . . 0.0 110.935 -176.31 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.651 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 97.6 m -111.11 109.72 19.92 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.288 -179.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.748 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 0.6 OUTLIER -112.65 139.47 48.23 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.161 0.505 . . . . 0.0 110.816 -178.829 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -102.01 35.04 2.48 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 174.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -77.34 156.89 30.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.347 -175.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -87.38 -16.27 35.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.691 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.1 t 60.71 46.32 0.27 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.142 0 CA-C-O 121.825 0.821 . . . . 0.0 110.293 -178.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.28 4.41 54.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.58 176.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -79.92 144.94 32.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.792 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.45 108.98 13.4 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.639 -178.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -147.82 131.69 3.96 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.878 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -80.4 -48.43 12.91 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.068 0.461 . . . . 0.0 110.468 178.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.08 -62.97 1.19 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.522 177.211 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.856 ' HZ ' ' HB2' ' A' ' 21' ' ' GLN . 1.1 t80 -84.28 114.29 21.74 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.395 178.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.92 128.77 54.0 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.069 178.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.6 mp -85.78 123.29 39.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -111.26 135.74 49.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.857 -178.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -61.14 137.23 58.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.219 -178.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.71 -9.72 55.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.834 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.45 -11.49 54.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.447 175.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -107.6 -33.32 7.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.856 -178.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.748 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 1.9 t -94.53 130.97 40.73 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 174.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.517 HG22 ' O ' ' A' ' 46' ' ' CYS . 29.0 m -88.16 171.29 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.21 0.529 . . . . 0.0 111.888 -174.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.077 -0.963 . . . . 0.0 109.91 179.066 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.534 ' HB1' ' HG3' ' A' ' 39' ' ' GLN . . . . . . . . 0 C--O 1.233 0.204 0 CA-C-O 121.047 0.451 . . . . 0.0 110.35 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.64 138.4 37.39 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.588 -176.003 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.02 89.41 7.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.015 0.436 . . . . 0.0 110.66 178.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.402 HG22 ' H ' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -79.72 117.78 26.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 178.215 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.409 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -98.11 -138.48 10.23 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.669 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -77.79 73.26 5.74 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.984 2.456 . . . . 0.0 111.179 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 51.6 t30 73.99 113.88 0.06 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.954 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.2 m -88.01 -15.47 36.33 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.556 177.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 56.9 m -109.1 74.74 0.92 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.722 -177.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.28 54.03 1.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.964 0.411 . . . . 0.0 110.818 178.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.2 mt -127.09 102.28 9.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.443 -178.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.6 t70 58.98 -105.4 0.25 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.047 177.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -134.02 33.74 3.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.864 0.84 . . . . 0.0 109.967 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.477 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . 0.1 OUTLIER -83.47 115.14 21.93 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.188 178.176 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -85.82 139.92 35.28 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.219 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_endo -79.88 133.04 9.95 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 122.625 2.217 . . . . 0.0 111.921 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.656 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 86.3 m-85 -132.55 128.69 37.81 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.76 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 29.8 m -81.99 103.22 11.47 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 177.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.635 ' SG ' ' HB3' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -100.45 130.82 46.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.932 -0.577 . . . . 0.0 112.019 -172.631 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -80.61 152.81 28.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.163 177.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.36 85.67 5.81 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.087 0.47 . . . . 0.0 111.905 -175.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.14 -71.51 0.6 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.024 0.44 . . . . 0.0 110.037 174.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.3 p -152.58 -60.6 0.15 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.269 0.557 . . . . 0.0 109.999 178.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.57 ' HA2' HD21 ' A' ' 29' ' ' LEU . . . 101.46 -8.28 56.7 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.57 -177.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.73 31.64 6.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.199 0.523 . . . . 0.0 110.476 -179.23 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -162.99 -63.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.338 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.0 m -152.67 151.17 30.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.415 177.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.635 ' HB3' ' SG ' ' A' ' 20' ' ' CYS . 0.6 OUTLIER -119.55 128.22 53.72 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.729 0.3 . . . . 0.0 110.251 179.379 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -95.83 88.81 1.08 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.707 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.656 ' HB2' ' HB3' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -125.53 117.08 22.83 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.08 0.467 . . . . 0.0 111.2 -176.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.595 HG13 ' HB2' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -86.91 163.04 2.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.693 175.074 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.6 p -61.1 135.95 25.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.895 0.379 . . . . 0.0 110.907 -177.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.77 116.75 9.8 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.238 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -79.5 115.99 22.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 120.901 0.381 . . . . 0.0 110.491 179.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 6' ' ' GLY . 0.8 OUTLIER -59.72 130.62 23.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.765 -175.804 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.67 31.81 60.09 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.575 175.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m -129.91 158.45 39.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.063 0.459 . . . . 0.0 111.485 -177.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.534 ' HG3' ' HB1' ' A' ' 2' ' ' ALA . 5.6 tp60 -91.99 94.83 9.46 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.753 177.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -80.36 113.81 18.81 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.195 179.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' A' ' 2' ' ' ALA . . . -85.94 44.36 3.34 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.697 -178.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -153.87 157.97 40.08 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -176.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.416 ' HB2' ' HE2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -63.95 106.33 1.01 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.228 -178.5 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.5 t -78.97 122.06 33.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.752 0.31 . . . . 0.0 110.243 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' ' 43' ' ' SER . 1.5 mttt -122.15 167.09 13.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.919 179.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.477 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 4.1 m -105.69 112.62 25.77 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.119 0.485 . . . . 0.0 109.785 177.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 2.8 m -127.62 150.29 49.8 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.011 0.434 . . . . 0.0 111.359 -174.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.74 68.77 0.92 Allowed 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 173.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.6 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 1.9 t70 -90.8 -168.12 2.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.794 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -90.5 107.64 19.29 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 177.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.7 p -126.52 85.12 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.793 0.806 . . . . 0.0 111.214 -176.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.7 m -85.88 -22.33 27.56 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.573 0.702 . . . . 0.0 109.742 172.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -160.33 -155.91 0.46 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.104 177.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.68 17.31 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.816 0.341 . . . . 0.0 111.319 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.98 -107.41 2.12 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -174.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.448 ' HB3' ' H ' ' A' ' 57' ' ' SER . 9.1 t-20 -108.94 -88.09 0.49 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 174.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.448 ' H ' ' HB3' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -101.49 -22.29 14.56 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.552 0.691 . . . . 0.0 109.316 171.284 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.595 ' HB2' HG13 ' A' ' 32' ' ' VAL . 3.6 p90 -160.58 173.84 14.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.743 -1.117 . . . . 0.0 108.488 178.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 mt -103.74 142.53 34.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.087 0.47 . . . . 0.0 111.913 -174.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.7 mt -114.0 120.83 64.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.3 175.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.484 HG23 ' HB2' ' A' ' 49' ' ' ASP . 22.2 mt -115.41 153.04 16.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.799 -174.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -96.5 148.67 22.58 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.207 176.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.65 7.06 9.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.862 0.363 . . . . 0.0 111.527 -177.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -90.43 -36.82 14.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.136 0.493 . . . . 0.0 110.983 178.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.6 ' ND2' ' HA ' ' A' ' 49' ' ' ASP . 10.6 p-10 -103.9 -11.73 17.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.216 0.531 . . . . 0.0 110.776 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 53.3 t -102.07 147.16 26.93 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.653 170.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.5 m -100.36 101.67 12.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.396 0.617 . . . . 0.0 110.253 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.166 0 CA-C-O 118.606 -0.711 . . . . 0.0 110.387 -178.812 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.389 0 CA-C-O 120.857 0.36 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.16 131.06 38.09 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.755 -178.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.638 ' HA ' ' HA ' ' A' ' 39' ' ' GLN . 1.3 m -91.44 129.98 37.35 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.969 -176.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.42 ' O ' HG13 ' A' ' 5' ' ' ILE . 3.8 pt -114.13 144.37 21.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.072 177.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -88.16 -150.22 19.91 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.556 -0.83 . . . . 0.0 111.862 177.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.875 ' HA ' HG23 ' A' ' 36' ' ' ILE . 6.0 Cg_exo -79.55 -5.56 14.16 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 123.074 2.516 . . . . 0.0 112.183 177.358 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -161.48 104.24 1.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.112 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.45 -15.39 17.18 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 179.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.8 m -123.98 76.81 1.48 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.93 0.395 . . . . 0.0 111.081 -175.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.24 61.51 4.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.171 0.51 . . . . 0.0 111.256 -178.109 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.1 mt -116.75 -56.44 3.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.775 178.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -172.82 -134.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.066 178.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -79.52 66.43 4.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.629 0.728 . . . . 0.0 110.126 177.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -122.52 121.39 36.44 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.009 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.27 135.91 26.32 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.612 -175.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -79.4 101.76 1.44 Allowed 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 122.598 2.199 . . . . 0.0 111.41 177.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -101.58 131.89 47.54 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.059 -176.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.401 ' HB3' ' HB3' ' A' ' 40' ' ' CYS . 2.8 m -79.54 97.18 6.35 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.561 175.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -104.13 117.4 34.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.22 0.533 . . . . 0.0 111.83 -173.803 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.478 ' HG2' ' H ' ' A' ' 21' ' ' GLN . 1.5 mm-40 -81.33 116.19 21.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.28 175.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.56 148.05 31.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.9 0.381 . . . . 0.0 110.603 -177.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.415 ' HB3' ' H ' ' A' ' 24' ' ' SER . 2.4 mtt -113.09 -153.32 0.52 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.67 -177.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.415 ' H ' ' HB3' ' A' ' 23' ' ' MET . 0.0 OUTLIER -88.1 -144.45 0.13 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.276 -179.767 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.412 ' H ' ' HB2' ' A' ' 24' ' ' SER . . . -76.86 61.59 3.32 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.506 178.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.39 147.44 49.17 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.592 0.234 . . . . 0.0 110.656 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.41 42.63 1.01 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.323 0.583 . . . . 0.0 110.015 177.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -133.79 148.44 51.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.072 -178.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 29' ' ' LEU . 1.0 OUTLIER -126.28 -175.91 3.51 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 177.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.434 ' O ' ' HA ' ' A' ' 20' ' ' CYS . . . -149.31 78.37 0.22 Allowed Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -176.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 1.4 m -94.91 143.64 26.3 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.466 0.65 . . . . 0.0 111.794 -172.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -130.52 156.72 42.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 170.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.2 p -65.57 135.41 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.583 0.23 . . . . 0.0 110.542 -177.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.53 130.23 47.76 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.589 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.487 ' HB ' ' HB2' ' A' ' 38' ' ' SER . 0.2 OUTLIER -69.79 -20.14 23.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.83 -0.185 . . . . 0.0 111.299 -177.454 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.875 HG23 ' HA ' ' A' ' 7' ' ' PRO . 49.2 mm 67.82 104.36 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 O-C-N 123.553 0.533 . . . . 0.0 111.154 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.48 22.89 57.73 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.933 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.487 ' HB2' ' HB ' ' A' ' 35' ' ' VAL . 3.4 m -148.75 173.52 13.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.77 0.319 . . . . 0.0 110.413 -177.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.638 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 1.9 mp0 -80.24 138.68 36.85 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.423 -179.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.401 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 1.2 m -87.19 -15.61 37.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.029 0.443 . . . . 0.0 110.848 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.72 -13.81 40.31 Favored Glycine 0 CA--C 1.519 0.287 0 CA-C-N 115.927 -0.579 . . . . 0.0 113.439 175.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -159.72 -162.25 1.0 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.764 0.282 . . . . 0.0 110.719 -178.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.96 126.95 29.81 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 123.569 0.543 . . . . 0.0 111.838 -177.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.7 t -86.95 102.35 12.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.091 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.43 ' HD2' ' HA ' ' A' ' 45' ' ' LYS . 26.7 mmmt -91.58 128.82 37.56 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.904 -176.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 96.2 m -92.65 83.35 4.86 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 174.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.677 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 0.6 OUTLIER -108.11 148.33 29.97 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.741 -171.861 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.57 -48.98 5.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.099 174.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.609 ' H ' ' HB2' ' A' ' 65' ' ' ASN . 37.8 t70 54.38 -111.06 0.59 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 114.547 -1.206 . . . . 0.0 110.022 -177.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -171.69 -34.09 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 50.7 t 69.17 115.91 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.231 0.12 0 CA-C-N 114.907 -1.042 . . . . 0.0 112.037 172.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 10.1 t -79.21 151.85 30.98 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 174.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -79.45 -9.28 59.57 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.059 0.457 . . . . 0.0 111.006 -175.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -88.17 120.67 29.74 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.367 176.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -76.96 157.04 46.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.804 -177.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -159.87 168.48 25.67 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.76 -12.64 59.77 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.842 0.353 . . . . 0.0 110.733 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -136.96 134.99 37.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.814 -178.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.4 mt -117.53 93.08 4.02 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 176.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.8 mt -79.7 72.08 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.126 0.489 . . . . 0.0 111.57 -173.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.41 HD12 ' HB2' ' A' ' 31' ' ' CYS . 2.3 mt -84.11 152.67 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.72 175.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -101.14 160.28 14.52 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 178.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.02 51.95 1.02 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.241 0.544 . . . . 0.0 111.011 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -114.37 -44.63 3.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.255 -177.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.609 ' HB2' ' H ' ' A' ' 49' ' ' ASP . 0.3 OUTLIER -103.31 14.89 30.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.96 -176.248 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.677 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -105.51 122.15 45.41 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.037 177.661 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.4 m -78.98 -19.08 12.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.885 0.374 . . . . 0.0 111.16 -175.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.857 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.448 0 CA-C-O 121.066 0.46 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.18 128.76 33.7 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.475 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.38 119.23 36.7 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.246 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.514 ' HB ' ' OG1' ' A' ' 9' ' ' THR . 8.8 pt -104.07 162.58 4.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.503 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -93.74 -144.11 14.81 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.827 -0.702 . . . . 0.0 111.913 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.62 ' HA ' HG12 ' A' ' 36' ' ' ILE . 4.7 Cg_exo -78.42 -32.8 2.1 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.449 2.099 . . . . 0.0 111.164 175.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -145.45 123.25 11.92 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 172.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.514 ' OG1' ' HB ' ' A' ' 5' ' ' ILE . 0.3 OUTLIER -125.64 44.48 2.82 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.438 0.637 . . . . 0.0 110.849 179.253 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.7 t -159.54 79.7 0.73 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.041 179.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.31 39.58 2.15 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.177 0.513 . . . . 0.0 110.799 -179.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.4 mm -78.75 -52.57 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.246 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -170.97 -125.0 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.394 -0.821 . . . . 0.0 108.952 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -93.9 67.09 3.71 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.295 0.569 . . . . 0.0 109.635 174.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -132.18 153.78 50.21 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.006 178.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.0 mttm -112.42 146.24 34.54 Favored Pre-proline 0 C--N 1.32 -0.698 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -78.7 98.89 1.22 Allowed 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 122.476 2.117 . . . . 0.0 112.084 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.595 ' HB3' ' HB3' ' A' ' 31' ' ' CYS . 37.5 m-85 -107.86 116.17 31.47 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.428 -179.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.646 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 34.1 m -78.52 87.58 4.49 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 174.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.935 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 7.4 t -94.61 123.59 38.14 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.542 -169.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -83.37 99.33 9.98 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.664 176.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.37 103.85 8.58 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 175.079 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.86 ' HB2' ' HB2' ' A' ' 28' ' ' SER . 67.7 mtp -82.06 29.11 0.41 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.696 -173.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 35.74 78.54 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 O-C-N 124.299 1.0 . . . . 0.0 112.936 176.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 169.21 -123.27 1.07 Allowed Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 119.836 -1.173 . . . . 0.0 113.626 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.22 67.55 9.26 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -169.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 55.51 25.16 7.55 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.783 175.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.86 ' HB2' ' HB2' ' A' ' 23' ' ' MET . 0.4 OUTLIER -78.72 83.65 4.86 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.827 -177.342 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.567 ' HB3' ' SG ' ' A' ' 20' ' ' CYS . 8.0 mt -108.79 98.58 8.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.251 178.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.452 ' HA3' ' CZ ' ' A' ' 58' ' ' PHE . . . -97.09 87.74 0.92 Allowed Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 177.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.935 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -97.36 118.56 34.11 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.153 0.501 . . . . 0.0 111.251 -173.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.6 t -97.22 140.14 18.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.805 176.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.403 HG13 ' CE1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -62.97 124.7 18.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.011 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -76.32 123.02 6.65 Favored Glycine 0 N--CA 1.444 -0.795 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 176.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.51 ' HB ' ' H ' ' A' ' 36' ' ' ILE . 0.5 OUTLIER -94.82 -110.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.47 0.176 . . . . 0.0 110.7 -177.23 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.62 HG12 ' HA ' ' A' ' 7' ' ' PRO . 78.2 mt -134.76 110.79 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.72 0.295 . . . . 0.0 110.298 -178.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.12 32.42 60.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.761 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.97 139.73 35.64 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.24 0.543 . . . . 0.0 111.385 -178.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -91.34 99.13 12.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.208 175.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.509 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 66.5 m -97.8 110.69 23.21 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.065 -176.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.92 38.55 3.04 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 121.069 -0.586 . . . . 0.0 111.827 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -160.09 172.63 17.13 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -176.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.03 109.58 4.62 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.148 0.499 . . . . 0.0 111.343 -177.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.646 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 2.1 p -77.25 107.29 8.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.387 0.613 . . . . 0.0 109.393 174.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.624 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . 2.9 mttt -112.94 157.75 21.08 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.692 -175.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 18.1 m -96.49 95.4 7.99 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.931 177.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 1.8 m -107.45 143.22 36.12 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.926 0.393 . . . . 0.0 110.955 -178.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.436 ' O ' ' HB2' ' A' ' 65' ' ' ASN . 0.1 OUTLIER -90.41 81.28 6.01 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 172.656 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -66.0 153.21 42.79 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.211 -175.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -102.68 -14.24 16.77 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.683 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.9 t 55.27 30.65 0.16 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.29 -2.26 58.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.943 176.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -105.24 110.09 22.33 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.184 -0.916 . . . . 0.0 108.556 173.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.39 69.45 5.63 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.185 0.517 . . . . 0.0 111.551 -174.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.507 ' HA3' ' O ' ' A' ' 58' ' ' PHE . . . -103.58 139.12 14.37 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.794 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -101.04 -49.62 4.05 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.846 0.355 . . . . 0.0 110.276 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.94 -2.87 24.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.007 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.507 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -156.3 129.36 7.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.279 -179.072 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.39 129.91 51.54 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 176.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 56.4 mt -102.88 108.48 24.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.21 0.529 . . . . 0.0 110.416 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.588 HD13 ' HB2' ' A' ' 31' ' ' CYS . 3.8 mp -107.08 143.12 18.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.943 -177.152 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -85.36 163.84 18.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.307 0.575 . . . . 0.0 111.451 -176.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.24 16.05 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.801 -175.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.94 -45.31 5.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.954 0.407 . . . . 0.0 110.338 176.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.444 HD21 HG23 ' A' ' 61' ' ' ILE . 15.7 p-10 -86.25 -19.36 30.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.702 178.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 18.5 t -97.22 134.73 40.14 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 170.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.9 m -105.25 39.83 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -173.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.624 ' HB3' ' HB3' ' A' ' 45' ' ' LYS . . . . . . . . 0 C--O 1.245 0.841 0 CA-C-O 118.637 -0.697 . . . . 0.0 110.51 178.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.421 ' HA ' ' O ' ' A' ' 40' ' ' CYS . . . . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.982 0.42 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.89 -21.28 44.2 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.546 178.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.801 HG23 ' HG3' ' A' ' 39' ' ' GLN . 19.2 m 72.18 123.64 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.597 -178.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.572 ' H ' ' HA ' ' A' ' 39' ' ' GLN . 0.7 OUTLIER -108.82 101.27 12.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-O 121.55 0.691 . . . . 0.0 110.485 178.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.15 -155.29 29.54 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.646 175.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -81.99 8.75 4.29 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.727 2.285 . . . . 0.0 113.346 -176.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -153.39 38.52 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.887 0.375 . . . . 0.0 111.926 -178.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.68 -64.68 1.13 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.003 0.43 . . . . 0.0 110.104 173.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -128.9 56.66 1.66 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.383 0.611 . . . . 0.0 109.544 177.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -121.03 53.26 1.15 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.223 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.0 mm -73.01 -63.81 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.705 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -146.92 -107.55 0.09 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.921 -178.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -84.91 2.55 42.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.53 0.681 . . . . 0.0 109.978 174.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -78.66 112.93 16.26 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 173.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -83.49 159.62 61.01 Favored Pre-proline 0 C--N 1.318 -0.79 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.707 -175.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.571 ' HB3' HD11 ' A' ' 5' ' ' ILE . 3.7 Cg_exo -78.63 103.93 1.74 Allowed 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 122.456 2.104 . . . . 0.0 110.96 178.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.805 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 11.9 m-85 -115.05 124.7 52.26 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.589 -174.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 23.7 m -94.75 100.19 12.15 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 171.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.512 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -92.18 132.52 36.58 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.362 0.601 . . . . 0.0 111.952 -171.858 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -86.95 80.63 8.37 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 171.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.463 ' HA ' ' HB3' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -77.94 118.56 20.36 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.53 -174.703 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.7 mtt -91.39 -179.64 5.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.933 -175.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.95 25.74 2.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.19 -3.28 26.85 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.781 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.99 -59.04 5.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.842 0.353 . . . . 0.0 111.412 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -141.92 41.88 1.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 176.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.2 m 59.32 -102.68 0.15 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.19 -177.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.463 ' HB3' ' HA ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -149.14 131.09 15.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.086 0.47 . . . . 0.0 111.078 -178.9 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -104.42 118.46 5.95 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 175.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.805 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 0.1 OUTLIER -100.78 141.8 33.14 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.179 0.514 . . . . 0.0 111.877 -172.207 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 57' ' ' SER . 1.7 t -116.98 153.49 18.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.352 -0.84 . . . . 0.0 108.961 172.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.5 t -69.45 110.24 2.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.829 0.347 . . . . 0.0 110.498 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.66 101.9 1.7 Allowed Glycine 0 N--CA 1.443 -0.836 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.925 -178.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -68.56 125.25 25.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 120.721 0.296 . . . . 0.0 110.554 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.2 mt -56.38 123.78 8.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.163 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.88 -8.77 54.64 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.855 176.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.38 -1.81 46.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 117.035 0.418 . . . . 0.0 111.647 -176.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.801 ' HG3' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER 67.61 146.29 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.697 0.623 . . . . 0.0 111.35 -178.781 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 4.9 t -109.02 120.18 41.78 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 177.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -99.8 19.55 52.91 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.194 -178.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.45 -152.27 0.4 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.21 118.87 30.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.862 0.363 . . . . 0.0 110.751 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.5 t -79.25 109.17 13.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 177.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.437 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 7.7 mmmt -103.53 122.56 45.2 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.955 0.407 . . . . 0.0 110.67 -176.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.6 m -84.5 90.77 7.7 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.951 179.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.531 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 4.1 m -124.16 158.25 32.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.617 -176.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 tttm -102.38 -47.9 4.34 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 174.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.787 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 2.9 t70 49.89 -139.38 0.86 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.147 -1.388 . . . . 0.0 111.226 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -143.78 89.64 2.07 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.117 0.484 . . . . 0.0 110.477 176.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -86.14 76.79 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.044 177.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.18 -18.32 55.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.093 -177.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -91.11 138.59 31.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.108 178.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.27 56.58 2.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.369 0.604 . . . . 0.0 110.905 -178.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 119.21 88.03 1.13 Allowed Glycine 0 N--CA 1.445 -0.717 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.398 -177.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -112.19 153.55 26.89 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.439 ' O ' HG13 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -88.48 -73.83 0.48 Allowed 'General case' 0 N--CA 1.444 -0.736 0 CA-C-O 120.946 0.403 . . . . 0.0 110.114 -179.912 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -104.95 118.83 37.51 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 121.115 0.484 . . . . 0.0 111.328 -176.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.69 119.17 28.21 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.506 174.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -85.71 132.71 31.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.566 HG22 ' H ' ' A' ' 63' ' ' ALA . 25.0 mt -104.7 136.85 36.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -175.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.39 17.61 0.82 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.07 177.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.566 ' H ' HG22 ' A' ' 61' ' ' ILE . . . 72.79 -38.39 0.42 Allowed 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.881 0.872 . . . . 0.0 113.055 174.003 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.94 8.22 5.94 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -175.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.787 ' ND2' ' HA ' ' A' ' 49' ' ' ASP . 2.3 m-20 -105.02 2.51 29.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.517 0.675 . . . . 0.0 110.487 179.162 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.531 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 13.0 m -109.21 159.33 17.01 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.738 178.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -98.2 -9.59 8.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.052 0.453 . . . . 0.0 110.397 175.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.941 0 CA-C-O 117.632 -1.175 . . . . 0.0 108.766 179.705 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.04 134.03 36.18 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.639 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -87.88 104.58 16.74 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 172.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.747 ' HB ' HG21 ' A' ' 9' ' ' THR . 4.4 pt -84.62 139.17 17.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.279 0.562 . . . . 0.0 111.665 -172.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.8 -164.46 27.0 Favored Glycine 0 N--CA 1.444 -0.823 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 173.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.715 ' HA ' HD12 ' A' ' 36' ' ' ILE . 3.5 Cg_exo -78.16 -29.27 4.19 Favored 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 122.663 2.242 . . . . 0.0 112.215 -178.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -100.98 43.15 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.581 -175.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.747 HG21 ' HB ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -78.98 -58.97 2.97 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.014 -178.777 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 97.0 m -106.25 62.87 0.65 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.05 0.452 . . . . 0.0 110.33 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.55 85.02 3.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.299 0.571 . . . . 0.0 111.24 -178.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mt -131.36 -52.01 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.575 0.702 . . . . 0.0 109.271 175.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -162.49 -142.93 0.08 Allowed 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 178.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -79.79 63.65 4.41 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 171.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -109.21 116.67 32.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.169 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.77 132.99 56.09 Favored Pre-proline 0 C--N 1.316 -0.872 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.567 -174.316 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -78.08 98.21 1.19 Allowed 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 122.724 2.283 . . . . 0.0 110.862 176.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.495 ' CD2' ' HB3' ' A' ' 47' ' ' CYS . 37.1 m-85 -93.42 129.89 39.41 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.878 -175.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 64.6 m -81.23 101.88 10.0 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.313 174.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.572 ' SG ' ' HB2' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -100.84 128.32 46.93 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.208 0.528 . . . . 0.0 111.596 -174.206 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.9 129.8 40.49 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.406 -0.816 . . . . 0.0 108.919 171.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.22 79.07 4.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.312 0.577 . . . . 0.0 110.634 -177.087 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -78.22 99.89 6.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.081 -178.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.41 108.2 17.75 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.483 -176.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.58 -10.99 11.3 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.658 -176.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.65 142.18 50.39 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.38 -38.9 29.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.932 0.396 . . . . 0.0 110.779 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.0 104.79 7.69 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.569 178.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.572 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -89.19 144.66 25.95 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.974 0.416 . . . . 0.0 110.119 178.043 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.726 ' HA3' ' HE2' ' A' ' 58' ' ' PHE . . . -83.65 101.44 2.37 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.933 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.472 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 0.8 OUTLIER -106.47 111.01 23.39 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.859 0.361 . . . . 0.0 110.672 -176.003 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.746 HG13 ' HB2' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -101.67 135.24 39.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 176.554 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.3 p -58.17 125.85 14.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.165 0.507 . . . . 0.0 111.827 -174.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.54 133.75 30.29 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.633 176.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.405 ' O ' ' HB ' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -89.17 -0.76 8.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.608 0.242 . . . . 0.0 111.344 -175.52 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.715 HD12 ' HA ' ' A' ' 7' ' ' PRO . 44.1 mm 71.84 113.32 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.713 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.19 18.63 52.97 Favored Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 -174.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.19 162.57 18.01 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.354 -0.423 . . . . 0.0 110.591 -177.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.493 ' H ' ' HG2' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -92.08 122.07 34.23 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 175.783 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.416 ' SG ' HG21 ' A' ' 5' ' ' ILE . 0.8 OUTLIER -72.92 -16.12 61.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.723 -175.544 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.77 -49.16 4.19 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.973 176.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -134.94 -120.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.71 0.29 . . . . 0.0 111.404 -178.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.39 123.21 32.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.03 0.443 . . . . 0.0 111.571 -174.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.2 t -83.16 124.93 39.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.917 175.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -117.44 130.19 56.31 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.94 0.4 . . . . 0.0 111.17 -178.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 72.6 m -85.5 93.4 8.77 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 174.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.761 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 3.7 t -115.83 151.78 34.6 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.772 -170.356 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.26 41.62 1.39 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.654 174.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -65.57 136.64 56.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.556 178.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.52 77.53 4.39 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.401 ' H ' HG22 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -34.47 109.47 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 O-C-N 124.556 1.16 . . . . 0.0 112.466 -178.448 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.21 172.44 7.07 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.797 -176.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.47 -3.65 47.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.983 0.421 . . . . 0.0 111.293 -178.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.85 -8.34 58.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.816 -175.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -75.01 128.24 9.87 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.587 -0.816 . . . . 0.0 111.922 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.433 ' HB3' ' H ' ' A' ' 57' ' ' SER . 33.5 t30 -82.3 -97.49 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.602 0.239 . . . . 0.0 110.4 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.433 ' H ' ' HB3' ' A' ' 56' ' ' ASN . 1.0 OUTLIER -84.12 -39.95 18.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.0 0.429 . . . . 0.0 110.378 177.365 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.746 ' HB2' HG13 ' A' ' 32' ' ' VAL . 1.0 OUTLIER -153.13 156.66 39.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.116 179.367 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.81 102.91 15.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.226 0.536 . . . . 0.0 111.796 -173.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.465 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -86.39 93.32 3.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 174.474 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -88.87 172.28 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.155 0.503 . . . . 0.0 112.05 -172.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.96 -2.92 57.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.581 -176.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 74.0 -20.96 0.29 Allowed 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 172.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.67 -3.56 44.7 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -173.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -97.63 -14.42 20.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.21 0.528 . . . . 0.0 110.612 178.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.761 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 1.9 m -80.98 149.17 29.44 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.547 173.142 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.1 m -100.49 -18.78 6.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-O 121.08 0.467 . . . . 0.0 110.849 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.486 178.874 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.511 ' HA ' ' HA2' ' A' ' 41' ' ' GLY . . . . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.946 0.403 . . . . 0.0 110.401 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.32 128.55 46.36 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.708 -179.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.47 93.61 9.6 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.347 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -72.82 141.42 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.178 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -109.68 -122.96 4.58 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.535 -0.84 . . . . 0.0 111.961 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -78.47 78.23 3.72 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.705 2.27 . . . . 0.0 112.613 -178.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.502 ' OD1' ' HD3' ' A' ' 17' ' ' PRO . 22.1 t-20 59.1 87.25 0.08 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.927 174.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.29 -7.72 58.51 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.486 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.418 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . 44.1 m -134.2 51.08 2.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.578 -178.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.8 -56.48 6.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.757 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.411 ' HB ' ' CD1' ' A' ' 15' ' ' TYR . 5.0 mt 45.82 -106.41 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.372 -177.291 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -92.18 -77.32 0.44 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 178.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -140.26 50.58 1.7 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.952 0.882 . . . . 0.0 108.968 171.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.411 ' CD1' ' HB ' ' A' ' 12' ' ' ILE . 85.8 m-85 -98.14 171.0 8.51 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.951 -176.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.38 152.4 73.15 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.195 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.502 ' HD3' ' OD1' ' A' ' 8' ' ' ASN . 74.2 Cg_endo -79.93 114.57 3.17 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.562 2.174 . . . . 0.0 112.019 178.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.697 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 49.4 m-85 -125.26 113.98 18.34 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.431 -178.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -79.93 113.06 17.8 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 175.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.497 ' O ' ' HB1' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -109.97 147.27 33.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.159 0.504 . . . . 0.0 112.299 -172.51 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.406 ' HB2' ' H ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -118.18 -154.63 0.57 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.364 -0.834 . . . . 0.0 108.949 174.268 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.406 ' H ' ' HB2' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -126.79 135.51 51.14 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.609 0.242 . . . . 0.0 110.833 -179.624 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' A' ' 29' ' ' LEU . 30.6 mmt -94.74 134.55 37.22 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 176.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.57 -62.18 1.71 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.704 -175.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.67 -37.31 6.52 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.664 -176.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.87 137.33 40.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.792 0.329 . . . . 0.0 110.699 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.45 71.25 9.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.077 0.465 . . . . 0.0 110.835 -179.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.2 m -161.09 179.77 8.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.916 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.439 ' O ' ' HG2' ' A' ' 23' ' ' MET . 1.0 OUTLIER -98.19 -69.24 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.036 0.446 . . . . 0.0 110.897 -178.87 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.704 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 107.7 95.35 2.39 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -176.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.697 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 0.8 OUTLIER -114.57 152.63 31.46 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.886 0.374 . . . . 0.0 111.289 -173.257 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.7 t -120.21 138.43 50.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 171.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.0 p -79.42 134.38 27.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.12 0.486 . . . . 0.0 110.935 -177.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.33 118.6 13.19 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.932 176.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.495 ' O ' ' HB ' ' A' ' 36' ' ' ILE . 0.6 OUTLIER -90.0 0.75 8.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 120.685 0.279 . . . . 0.0 110.712 -176.846 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.495 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 64.1 mt 77.35 113.88 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.995 -177.01 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.19 20.7 54.49 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 -175.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.31 130.25 54.19 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.925 0.393 . . . . 0.0 111.327 -175.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.16 93.03 9.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.445 178.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.455 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 99.1 m -79.92 117.33 20.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.109 178.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.511 ' HA2' ' HA ' ' A' ' 2' ' ' ALA . . . -79.06 -28.02 54.87 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.663 -0.779 . . . . 0.0 111.199 177.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.497 ' HB1' ' O ' ' A' ' 20' ' ' CYS . . . -79.53 154.37 28.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.54 -0.33 . . . . 0.0 110.143 176.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.51 123.1 15.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.966 0.412 . . . . 0.0 111.341 -176.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.466 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 3.9 t -76.39 121.83 29.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.785 -178.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.419 ' HG3' ' HB2' ' A' ' 20' ' ' CYS . 0.4 OUTLIER -116.56 154.5 30.34 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.272 178.75 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.573 ' HB2' ' HB3' ' A' ' 68' ' ' ALA . 2.8 m -103.11 97.34 7.45 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.159 0.504 . . . . 0.0 110.089 176.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.582 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 48.1 m -107.2 155.98 19.33 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.436 -178.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -88.07 -33.56 18.26 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 174.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.458 ' CG ' ' H ' ' A' ' 50' ' ' ASP . 4.9 t70 56.7 -156.44 0.29 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-N 114.729 -1.123 . . . . 0.0 111.084 -179.153 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.458 ' H ' ' CG ' ' A' ' 49' ' ' ASP . 7.6 t0 -144.12 57.84 1.34 Allowed 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 176.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.426 ' H ' HG22 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -58.13 123.2 9.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 114.858 -1.064 . . . . 0.0 111.707 -174.32 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.43 -32.17 11.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.488 178.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -157.88 -96.29 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.095 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.21 -35.34 9.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.086 0.47 . . . . 0.0 111.012 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 104.27 -140.37 14.93 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.093 -178.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.427 ' ND2' ' H ' ' A' ' 57' ' ' SER . 6.6 t-20 -150.28 171.39 17.03 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -176.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.427 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -77.64 -13.66 59.85 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.092 0.472 . . . . 0.0 110.538 -178.561 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -147.92 95.88 2.56 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.993 175.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.444 HD13 ' HE1' ' A' ' 18' ' ' TYR . 2.2 mp -90.53 92.84 9.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.869 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.704 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 2.6 mp -79.65 80.92 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.555 0.693 . . . . 0.0 110.391 -179.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.432 ' H ' HG13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -100.53 -167.48 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.732 178.63 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.85 165.93 21.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.207 179.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.5 23.81 0.39 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.846 -175.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.78 -27.71 40.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.827 -178.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.445 ' OD1' ' HB3' ' A' ' 47' ' ' CYS . 18.6 p30 -112.3 -7.96 13.96 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.154 0.502 . . . . 0.0 110.949 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.582 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 56.0 m -82.05 105.76 13.41 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.737 176.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -82.32 -15.28 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.311 0.577 . . . . 0.0 110.524 178.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.573 ' HB3' ' HB2' ' A' ' 46' ' ' CYS . . . . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.737 -0.649 . . . . 0.0 110.185 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.682 ' HA ' ' HA2' ' A' ' 41' ' ' GLY . . . . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.9 134.48 49.36 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.018 0.437 . . . . 0.0 111.037 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.575 HG23 ' HG2' ' A' ' 39' ' ' GLN . 0.2 OUTLIER -89.35 109.47 20.37 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.158 178.719 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.44 ' O ' HG13 ' A' ' 5' ' ' ILE . 1.0 OUTLIER -92.81 147.87 5.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.428 -179.541 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -116.91 -146.27 8.37 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.478 -177.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -80.78 -24.22 5.11 Favored 'Trans proline' 0 CA--C 1.529 0.236 0 C-N-CA 122.742 2.294 . . . . 0.0 112.997 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -126.13 43.84 2.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.121 0.486 . . . . 0.0 111.285 -175.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.474 ' HB ' ' HB3' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -79.65 2.62 21.85 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.134 0.492 . . . . 0.0 110.838 177.031 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.0 t -141.89 74.26 1.45 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.737 178.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.68 51.56 1.91 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.043 -179.251 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.7 mt -134.68 96.18 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.34 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 t70 57.38 -131.28 1.49 Allowed 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.147 175.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -109.74 55.16 0.64 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.626 0.726 . . . . 0.0 109.872 177.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -105.65 159.33 16.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.618 176.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.722 ' HE3' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -114.6 150.74 44.42 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-O 120.66 0.266 . . . . 0.0 110.823 -174.873 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.474 ' HB3' ' HB ' ' A' ' 9' ' ' THR . 5.8 Cg_exo -78.75 110.71 2.85 Favored 'Trans proline' 0 N--CA 1.455 -0.766 0 C-N-CA 122.715 2.277 . . . . 0.0 110.964 177.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.875 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 19.7 m-85 -113.65 137.49 51.53 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.607 -175.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.455 ' HB3' ' HB3' ' A' ' 40' ' ' CYS . 4.0 m -103.96 86.46 2.59 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.341 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.76 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 3.9 m -96.16 135.33 38.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.986 -172.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -74.3 110.36 8.53 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 173.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -93.93 91.2 6.79 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.147 0.499 . . . . 0.0 110.207 -178.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.11 153.74 25.91 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.898 -178.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.7 m -87.25 141.78 28.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.691 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.23 -55.09 4.93 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.13 -178.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.8 132.74 34.8 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.986 0.422 . . . . 0.0 110.782 178.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -113.75 54.91 0.73 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.117 0.484 . . . . 0.0 110.525 -179.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.8 -22.62 18.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.399 -178.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.465 ' HB3' ' HB ' ' A' ' 61' ' ' ILE . 0.1 OUTLIER 53.07 69.49 0.69 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.0 0.429 . . . . 0.0 110.876 -177.655 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -74.53 94.84 0.86 Allowed Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.875 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 4.2 t -108.58 150.13 27.92 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -168.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.4 t -118.46 147.17 22.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.956 172.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.8 t -71.27 125.9 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.638 0.256 . . . . 0.0 111.033 -178.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -92.2 125.3 8.04 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.861 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -103.69 171.31 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.228 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.9 mp -63.34 109.02 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.827 0.346 . . . . 0.0 110.906 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.5 43.01 3.27 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.485 178.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.2 m -110.79 131.79 54.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.859 0.361 . . . . 0.0 110.877 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.575 ' HG2' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -97.42 71.33 2.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.026 -0.533 . . . . 0.0 109.761 179.47 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.455 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 30.0 m -71.16 120.52 16.85 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.009 -176.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.682 ' HA2' ' HA ' ' A' ' 2' ' ' ALA . . . -86.58 52.08 4.42 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.154 178.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -153.67 -160.59 1.13 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 -179.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.76 126.19 34.43 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.871 0.367 . . . . 0.0 110.707 179.195 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.2 t -79.67 118.28 26.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.38 151.93 37.67 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.23 0.538 . . . . 0.0 111.498 -174.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -108.52 98.04 7.62 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.325 175.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 50.5 m -133.79 163.15 30.13 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.079 0.466 . . . . 0.0 111.382 -175.031 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.722 ' HG2' ' HE3' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -114.87 -50.31 2.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.319 172.73 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.3 t70 50.5 -138.88 0.96 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.637 -175.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -135.88 100.65 4.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.893 0.378 . . . . 0.0 110.391 177.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.65 97.5 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.34 -179.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.26 -67.4 0.76 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.374 179.165 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -101.11 139.34 36.93 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 175.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.29 -9.41 59.22 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.268 0.556 . . . . 0.0 110.278 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -117.53 60.38 0.46 Allowed Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 174.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.648 HD22 ' HG ' ' A' ' 59' ' ' LEU . 3.5 t30 -105.7 111.12 23.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.894 0.378 . . . . 0.0 110.648 -178.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.33 -9.25 59.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.638 -177.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -152.94 107.44 3.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.876 0.37 . . . . 0.0 110.808 177.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.648 ' HG ' HD22 ' A' ' 56' ' ' ASN . 0.5 OUTLIER -106.38 125.04 50.51 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.057 178.762 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 22.5 mm -81.96 109.87 16.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 171.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.465 ' HB ' ' HB3' ' A' ' 29' ' ' LEU . 55.2 mt -99.84 138.34 24.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.229 0.537 . . . . 0.0 111.711 -171.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -79.49 126.0 30.29 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.37 173.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.44 -22.35 61.35 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -175.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.05 -13.61 59.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.445 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -98.4 18.19 17.09 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.404 0.621 . . . . 0.0 110.512 -177.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 97.3 m -114.5 161.25 18.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.066 175.109 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.2 t -79.37 -46.83 22.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.35 0.595 . . . . 0.0 109.703 175.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.948 0 CA-C-O 117.837 -1.078 . . . . 0.0 108.988 178.786 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.259 0 CA-C-O 120.55 0.214 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.79 118.67 21.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.031 0.443 . . . . 0.0 110.525 177.198 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.1 93.3 7.74 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.833 -179.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.464 HG13 ' N ' ' A' ' 6' ' ' GLY . 0.0 OUTLIER -79.01 134.4 27.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.894 -174.763 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.464 ' N ' HG13 ' A' ' 5' ' ' ILE . . . -129.4 -160.26 10.15 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.403 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -82.56 5.65 6.26 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.744 2.296 . . . . 0.0 112.88 -177.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -143.15 30.68 1.41 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.758 0.313 . . . . 0.0 111.475 -176.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.2 m -79.47 -22.84 43.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.029 0.442 . . . . 0.0 110.744 176.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.507 ' HB2' ' HG3' ' A' ' 17' ' ' PRO . 1.2 m -122.38 -96.39 0.47 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.96 177.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 m 60.3 28.67 18.29 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 174.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.6 mt -70.57 -33.68 54.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.194 0.521 . . . . 0.0 109.724 176.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.436 ' C ' ' H ' ' A' ' 15' ' ' TYR . 23.5 t70 177.2 -124.96 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 114.986 -1.006 . . . . 0.0 108.624 178.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -80.64 20.95 0.69 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.788 0.804 . . . . 0.0 109.724 173.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.881 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . 86.2 m-85 -91.8 102.0 14.6 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.698 177.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -79.42 151.24 74.69 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.843 -178.854 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.507 ' HG3' ' HB2' ' A' ' 10' ' ' CYS . 5.8 Cg_exo -79.11 117.15 3.79 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 123.11 2.54 . . . . 0.0 112.048 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.487 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 47.4 m-85 -125.76 135.34 51.94 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.932 -178.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.2 93.01 8.56 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.644 177.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.696 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -81.97 109.94 16.78 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.296 0.569 . . . . 0.0 111.883 -173.324 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -81.68 112.1 18.56 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.812 172.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.2 m -79.37 104.58 10.08 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.14 142.53 31.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.094 -174.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.13 127.32 45.07 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.783 178.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.35 -57.36 3.9 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.251 -175.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.78 108.67 9.97 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 175.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.13 68.8 5.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.122 0.487 . . . . 0.0 110.891 -177.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 m -147.35 150.83 35.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.375 178.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 67.2 mt -96.74 112.03 23.95 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.33 -179.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.461 ' HA2' ' HE2' ' A' ' 58' ' ' PHE . . . -84.06 68.98 3.43 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 178.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.696 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -86.02 83.28 7.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.367 0.603 . . . . 0.0 110.42 -174.214 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.438 HG13 ' HB2' ' A' ' 58' ' ' PHE . 1.6 t -68.37 132.63 32.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.256 178.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.434 ' HA ' ' CD1' ' A' ' 18' ' ' TYR . 7.3 p -59.71 130.19 23.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-O 121.096 0.474 . . . . 0.0 110.672 -177.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.43 ' HA3' HD13 ' A' ' 5' ' ' ILE . . . -73.38 120.6 7.13 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.485 -177.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -90.1 124.51 42.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 177.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.4 mt -62.63 123.62 15.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.205 -178.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.73 39.19 7.2 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.145 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.91 159.18 42.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.909 0.385 . . . . 0.0 111.117 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -92.07 93.06 8.55 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 177.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.73 -64.02 1.09 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.411 -177.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.03 -45.16 1.71 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.953 -0.642 . . . . 0.0 111.97 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.52 -179.88 7.57 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.945 0.402 . . . . 0.0 111.086 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.18 98.91 4.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.148 -179.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.7 t -75.27 113.22 13.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.106 176.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.607 ' HD2' ' HB3' ' A' ' 66' ' ' CYS . 0.3 OUTLIER -125.55 173.46 8.93 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.038 179.777 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.881 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 35.8 m -99.96 132.93 45.02 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.982 0.42 . . . . 0.0 110.64 -178.112 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 36.3 m -129.63 139.21 51.49 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.547 178.473 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.78 48.12 1.59 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.627 0.727 . . . . 0.0 109.271 174.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.478 ' HB2' HG21 ' A' ' 61' ' ' ILE . 1.5 t70 -82.68 119.88 24.87 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 175.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.67 70.54 7.79 Favored 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 120.51 -0.476 . . . . 0.0 109.772 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 p -51.27 102.14 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 114.777 -1.101 . . . . 0.0 111.824 -177.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.29 -35.31 5.02 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.113 -0.949 . . . . 0.0 108.655 173.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -106.21 115.37 30.11 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 114.835 -1.075 . . . . 0.0 108.537 174.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.55 140.74 38.49 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.847 0.356 . . . . 0.0 111.101 -175.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -66.75 160.91 47.16 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.694 177.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -78.75 -58.61 3.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.697 0.284 . . . . 0.0 110.36 -176.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.76 -43.41 8.63 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.351 0.596 . . . . 0.0 109.873 174.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.461 ' HE2' ' HA2' ' A' ' 30' ' ' GLY . 23.3 p90 -160.17 -174.45 4.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.303 177.032 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.12 130.92 47.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.139 0.495 . . . . 0.0 111.476 -175.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.8 mp -123.94 99.71 6.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.284 175.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.478 HG21 ' HB2' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -102.45 -164.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.105 -175.571 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.467 ' H ' HG22 ' A' ' 61' ' ' ILE . 6.1 t-20 -99.39 161.13 13.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.077 -179.114 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.34 9.24 4.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.121 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.95 -28.8 13.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.285 176.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -77.34 -48.6 16.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.81 177.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.607 ' HB3' ' HD2' ' A' ' 45' ' ' LYS . 96.1 m -78.98 133.27 36.86 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.739 177.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.445 ' HB ' ' H ' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -101.66 -114.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.57 -0.287 . . . . 0.0 110.696 178.859 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.445 ' H ' ' HB ' ' A' ' 67' ' ' VAL . . . . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.51 -0.757 . . . . 0.0 111.372 -175.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.193 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.29 -39.28 33.29 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -174.306 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.5 m 56.54 72.39 0.51 Allowed 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.31 0.576 . . . . 0.0 110.356 -174.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.627 HD12 ' O ' ' A' ' 6' ' ' GLY . 1.8 pt -87.59 167.61 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.512 -175.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.627 ' O ' HD12 ' A' ' 5' ' ' ILE . . . -88.96 -173.93 46.65 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 110.576 -1.01 . . . . 0.0 110.576 171.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -78.15 9.45 3.07 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.205 1.937 . . . . 0.0 113.017 -175.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -169.93 84.98 0.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.708 178.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.4 -38.45 34.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.78 0.324 . . . . 0.0 111.527 179.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.413 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . 78.4 m -119.62 122.13 40.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.245 -179.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.07 40.59 1.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.087 0.47 . . . . 0.0 110.413 -178.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.5 mp -66.64 -52.48 45.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.555 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -157.93 -108.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.157 -178.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.4 -14.09 50.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.384 0.611 . . . . 0.0 109.822 176.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -79.85 114.32 18.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.987 -177.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.723 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 26.3 mmtm -100.88 176.76 1.75 Allowed Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.666 -179.046 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.723 ' HD2' ' HB3' ' A' ' 16' ' ' LYS . 60.8 Cg_endo -76.62 121.2 5.85 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 121.496 1.464 . . . . 0.0 111.868 178.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.765 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 2.6 m-85 -121.16 110.2 15.91 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.693 -176.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.4 ' HB3' ' HB2' ' A' ' 40' ' ' CYS . 67.3 m -79.9 97.33 6.67 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 175.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.633 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 4.3 m -94.01 113.68 25.71 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.941 -170.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.42 HE21 ' HB3' ' A' ' 21' ' ' GLN . 1.0 OUTLIER -86.3 105.32 16.58 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 172.319 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.83 124.41 27.95 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.629 -176.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 20.3 mmt -79.62 95.97 6.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.962 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.61 113.63 1.7 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.357 -177.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.11 -57.0 0.53 Allowed Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.916 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.28 -19.5 31.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.432 0.158 . . . . 0.0 111.38 -177.066 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 67.67 21.71 9.24 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.99 177.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.21 139.64 30.87 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 175.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.64 ' HB3' HG13 ' A' ' 61' ' ' ILE . 1.8 tp -96.76 98.19 9.94 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.919 0.39 . . . . 0.0 110.756 -178.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.54 75.65 2.35 Favored Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 110.603 -0.999 . . . . 0.0 110.603 177.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.765 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 0.3 OUTLIER -86.98 149.2 24.94 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.305 0.574 . . . . 0.0 112.034 -171.558 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.9 t -122.37 131.39 73.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.113 172.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.1 t -63.52 123.22 15.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.737 0.304 . . . . 0.0 110.303 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.49 134.38 19.23 Favored Glycine 0 N--CA 1.442 -0.929 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.891 -178.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.52 ' HB ' ' H ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -133.99 -144.85 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 120.843 0.354 . . . . 0.0 110.309 -179.492 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.52 ' H ' ' HB ' ' A' ' 35' ' ' VAL . 1.3 mp -78.51 115.94 21.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 120.816 0.341 . . . . 0.0 111.623 -175.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.57 24.96 76.14 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.9 -0.591 . . . . 0.0 113.192 174.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.2 m -69.17 112.44 5.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.267 0.556 . . . . 0.0 111.044 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.98 58.41 1.58 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.042 178.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.4 ' HB2' ' HB3' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -64.34 128.79 37.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.795 -178.784 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.58 53.19 3.4 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.902 178.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -160.57 -174.32 4.4 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 -177.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.78 136.78 36.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.815 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.5 t -101.41 126.11 55.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.798 0.332 . . . . 0.0 110.382 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -120.79 -177.09 3.39 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.699 179.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.521 ' HA ' ' O ' ' A' ' 16' ' ' LYS . 3.2 m -123.0 99.84 6.58 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.881 0.372 . . . . 0.0 110.067 178.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.64 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 0.3 OUTLIER -128.44 173.08 10.53 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.597 -175.669 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -124.49 -72.96 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 178.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.451 ' CG ' ' HB2' ' A' ' 65' ' ' ASN . 5.6 m-20 57.56 -134.13 1.18 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.51 -1.223 . . . . 0.0 111.984 170.29 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.516 ' CG ' ' HB3' ' A' ' 53' ' ' ASN . 0.2 OUTLIER -90.01 32.05 0.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.778 -171.724 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.434 ' HB ' ' OH ' ' A' ' 18' ' ' TYR . 9.4 p -63.59 -36.43 76.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-O 120.937 0.399 . . . . 0.0 111.315 -178.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.5 23.65 11.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.981 0.419 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.516 ' HB3' ' CG ' ' A' ' 50' ' ' ASP . 40.1 t30 -132.06 -98.81 0.3 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.359 -175.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.408 ' H ' ' HB3' ' A' ' 53' ' ' ASN . 0.2 OUTLIER -111.09 44.95 1.22 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.969 0.414 . . . . 0.0 111.395 -176.39 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -150.45 141.5 8.79 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.331 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -157.48 -50.87 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.867 0.365 . . . . 0.0 110.388 176.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.23 -38.1 11.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.136 0.493 . . . . 0.0 110.16 178.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.15 126.11 22.65 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.633 -177.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.41 ' HA ' HD13 ' A' ' 59' ' ' LEU . 2.9 mm? -113.71 89.86 3.2 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.195 -178.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.6 mp -79.62 81.07 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 176.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.64 HG13 ' HB3' ' A' ' 29' ' ' LEU . 6.6 pt -95.7 172.59 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.703 -170.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -107.76 3.15 24.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.667 177.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.476 ' HB2' ' CD2' ' A' ' 29' ' ' LEU . . . 61.32 21.79 12.26 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.946 -174.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.57 -23.65 45.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.159 0.504 . . . . 0.0 110.321 -176.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.451 ' HB2' ' CG ' ' A' ' 49' ' ' ASP . 12.5 m-80 -109.63 16.3 22.25 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.667 177.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.64 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 4.2 t -95.0 136.2 35.6 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.129 177.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.1 p -96.12 -10.18 9.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.047 0.451 . . . . 0.0 111.23 -176.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.931 0 CA-C-O 119.038 -0.505 . . . . 0.0 110.075 -178.044 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.452 ' HA ' ' HA2' ' A' ' 41' ' ' GLY . . . . . . . . 0 N--CA 1.45 -0.442 0 CA-C-O 120.921 0.391 . . . . 0.0 110.67 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.7 m -78.59 -31.6 47.27 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.494 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.796 ' HA ' ' H ' ' A' ' 40' ' ' CYS . 2.0 m 70.22 169.08 0.31 Allowed 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.537 -178.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.561 HG22 HG21 ' A' ' 9' ' ' THR . 16.1 pt -121.65 140.47 45.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.065 -178.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.82 -160.04 19.64 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.351 177.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.14 -17.86 13.15 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.339 2.026 . . . . 0.0 112.637 -176.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -143.45 78.02 1.58 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.958 0.409 . . . . 0.0 110.313 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.561 HG21 HG22 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -94.67 -94.28 0.18 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.408 176.383 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.33 83.41 5.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.026 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.3 m -123.78 79.07 1.67 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.162 0.506 . . . . 0.0 110.338 -178.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.484 HG22 ' H ' ' A' ' 13' ' ' ASP . 0.5 OUTLIER -101.06 -163.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.505 -179.759 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.484 ' H ' HG22 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -53.78 -60.24 3.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.572 -177.561 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -139.55 25.4 2.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.527 0.68 . . . . 0.0 111.07 179.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -109.96 126.9 54.4 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.692 178.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -107.07 157.66 34.84 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.81 -173.277 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -79.12 107.47 2.22 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 122.854 2.369 . . . . 0.0 111.614 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -113.13 130.16 56.28 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.586 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 68.5 m -79.92 74.21 6.67 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 176.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 67.5 m -79.99 114.86 19.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.387 -176.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -78.65 135.67 37.27 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 173.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.72 105.76 11.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.063 0.459 . . . . 0.0 110.716 -177.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.81 129.64 34.65 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.039 -179.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.87 -38.36 37.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.537 -176.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.6 41.94 2.05 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.408 -178.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.0 m -151.53 144.38 24.44 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 122.661 -0.317 . . . . 0.0 110.192 177.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.12 -21.68 33.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.96 0.409 . . . . 0.0 110.581 178.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.38 171.36 9.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.63 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 mt -116.8 148.15 41.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.816 0.341 . . . . 0.0 110.974 -178.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -107.16 102.75 1.88 Allowed Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 110.631 -0.988 . . . . 0.0 110.631 176.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.609 ' SG ' HD12 ' A' ' 61' ' ' ILE . 1.8 m -122.75 145.99 47.91 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.17 0.51 . . . . 0.0 112.021 -171.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.7 t -104.63 147.23 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 170.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.2 t -66.91 121.11 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.79 0.329 . . . . 0.0 110.379 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -78.3 131.54 10.97 Favored Glycine 0 N--CA 1.442 -0.939 0 CA-C-N 115.873 -0.603 . . . . 0.0 113.034 -177.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.48 -175.09 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 176.007 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.405 ' H ' HG13 ' A' ' 36' ' ' ILE . 3.6 mt -69.72 86.67 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.054 0.454 . . . . 0.0 110.447 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.37 40.07 3.31 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.881 179.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 p -83.34 -2.62 56.18 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 122.641 -0.329 . . . . 0.0 111.081 177.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.432 ' HA ' HG23 ' A' ' 4' ' ' THR . 0.8 OUTLIER 62.42 95.71 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.047 -176.197 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.796 ' H ' ' HA ' ' A' ' 4' ' ' THR . 0.1 OUTLIER -105.06 91.38 3.78 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.371 -178.698 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.452 ' HA2' ' HA ' ' A' ' 2' ' ' ALA . . . -100.21 60.76 0.69 Allowed Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 174.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -147.92 -158.43 0.91 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.527 0.203 . . . . 0.0 110.774 -175.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.14 -24.29 35.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.132 -179.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.7 t 62.24 102.29 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-O 121.068 0.461 . . . . 0.0 110.548 -176.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.632 ' HE3' ' SG ' ' A' ' 66' ' ' CYS . 27.1 mtpp -123.75 157.01 34.98 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.82 0.343 . . . . 0.0 110.937 -175.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.86 81.52 1.5 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.383 0.611 . . . . 0.0 109.863 -178.447 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.417 ' HB2' HD13 ' A' ' 61' ' ' ILE . 3.6 m -99.95 143.82 29.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.949 -176.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.37 64.34 3.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.031 0.443 . . . . 0.0 110.058 177.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -93.11 178.18 5.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.511 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -94.79 125.77 39.67 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.119 0.485 . . . . 0.0 111.76 -172.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.9 p -87.94 -10.14 10.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.646 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.33 -6.51 56.9 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.54 178.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -78.64 -68.76 0.62 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.981 179.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.71 -81.14 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.781 0.324 . . . . 0.0 111.166 177.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.488 ' H ' ' HG ' ' A' ' 59' ' ' LEU . . . 70.05 26.77 73.86 Favored Glycine 0 N--CA 1.451 -0.35 0 N-CA-C 111.362 -0.695 . . . . 0.0 111.362 -176.191 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.479 ' HB3' ' H ' ' A' ' 57' ' ' SER . 20.9 t30 -101.01 -98.59 0.26 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.721 -0.24 . . . . 0.0 110.901 -174.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.479 ' H ' ' HB3' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -79.76 -40.6 28.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.1 0.476 . . . . 0.0 110.782 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -150.41 154.9 38.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.327 -178.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.488 ' HG ' ' H ' ' A' ' 55' ' ' GLY . 1.5 mt -139.06 114.72 9.91 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.973 175.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.8 mp -81.42 105.41 11.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 175.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.609 HD12 ' SG ' ' A' ' 31' ' ' CYS . 11.9 mt -86.78 136.43 22.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.117 -174.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.599 ' HB3' ' OD1' ' A' ' 65' ' ' ASN . 53.5 t30 -80.34 136.08 36.32 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.203 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.83 -5.0 35.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.984 -175.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.89 -44.9 19.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.797 0.332 . . . . 0.0 110.937 179.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.599 ' OD1' ' HB3' ' A' ' 62' ' ' ASN . 1.8 p-10 -93.57 -9.97 36.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.946 0.403 . . . . 0.0 111.461 -176.373 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.632 ' SG ' ' HE3' ' A' ' 45' ' ' LYS . 38.4 t -89.07 106.07 18.2 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 172.192 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -79.81 -47.34 21.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.578 -175.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.46 -0.781 . . . . 0.0 110.198 -179.893 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.452 ' HA ' ' HA2' ' A' ' 41' ' ' GLY . . . . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.99 0.424 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.29 135.92 53.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.557 178.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.05 119.56 31.86 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.367 -0.235 . . . . 0.0 110.367 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.4 pt -99.51 162.66 2.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.863 0.363 . . . . 0.0 111.204 -178.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.26 -156.56 29.73 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.958 -175.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.457 ' HA ' ' CG1' ' A' ' 36' ' ' ILE . 70.4 Cg_endo -78.4 -29.27 3.96 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.571 2.181 . . . . 0.0 112.392 -179.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -146.02 85.48 1.68 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.651 0.739 . . . . 0.0 110.039 178.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.33 -29.71 47.78 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.638 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -136.05 -93.36 0.26 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.724 176.212 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m 59.48 52.61 5.66 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 123.374 0.421 . . . . 0.0 111.457 176.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.5 mp -62.79 -65.92 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-O 121.199 0.523 . . . . 0.0 109.746 176.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -117.73 -74.71 0.6 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 170.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.758 ' HB3' ' HG3' ' A' ' 48' ' ' LYS . 5.8 t0 -127.73 23.62 6.21 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.765 0.793 . . . . 0.0 108.869 169.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.551 ' HD1' ' HB2' ' A' ' 48' ' ' LYS . 2.6 m-30 -80.48 86.98 5.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.89 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.478 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 3.4 mttm -78.24 161.9 68.64 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.449 -177.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -78.93 85.97 1.77 Allowed 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 122.763 2.309 . . . . 0.0 111.197 176.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.968 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 26.8 m-85 -84.37 140.45 31.56 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.913 -178.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.37 96.56 10.04 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 174.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.454 ' SG ' ' HB3' ' A' ' 29' ' ' LEU . 1.2 m -98.9 119.4 37.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.232 0.539 . . . . 0.0 112.089 -172.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.45 109.42 3.68 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 171.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 m -80.3 102.02 9.28 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.878 -178.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.438 ' HB2' ' O ' ' A' ' 26' ' ' SER . 7.5 mtt -79.19 127.62 32.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.053 -175.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.2 -24.25 37.59 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.151 -177.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -117.23 18.01 12.37 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.787 -177.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.438 ' O ' ' HB2' ' A' ' 23' ' ' MET . 57.1 m -157.35 141.18 15.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.723 0.297 . . . . 0.0 110.313 178.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.08 53.81 1.81 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.2 0.524 . . . . 0.0 110.632 178.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.28 128.97 46.85 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.014 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.454 ' HB3' ' SG ' ' A' ' 20' ' ' CYS . 74.9 mt -87.94 89.23 7.91 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.793 0.33 . . . . 0.0 111.245 -178.029 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -73.14 96.42 0.79 Allowed Glycine 0 CA--C 1.51 -0.268 0 N-CA-C 110.434 -1.066 . . . . 0.0 110.434 174.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.968 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 0.1 OUTLIER -120.87 150.94 40.28 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.482 0.658 . . . . 0.0 112.476 -166.427 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -127.82 142.98 42.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.093 -0.958 . . . . 0.0 108.785 170.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.8 p -69.15 126.85 30.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.1 0.476 . . . . 0.0 111.197 -176.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -104.74 133.53 11.59 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.645 177.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -127.8 -169.37 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.911 0.386 . . . . 0.0 111.301 -177.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.457 ' CG1' ' HA ' ' A' ' 7' ' ' PRO . 0.7 OUTLIER -56.65 116.02 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.865 -177.045 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.05 1.46 61.3 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.047 -0.596 . . . . 0.0 113.211 175.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 m -81.58 127.32 32.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 117.056 0.428 . . . . 0.0 110.652 -179.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -88.3 94.72 9.93 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 176.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.11 107.2 5.32 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.837 -177.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.452 ' HA2' ' HA ' ' A' ' 2' ' ' ALA . . . -86.69 -4.89 82.3 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.992 -0.623 . . . . 0.0 111.909 177.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -111.65 175.73 5.31 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 177.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.37 116.94 11.3 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.042 0.449 . . . . 0.0 110.737 -179.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.4 t -70.96 122.64 23.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.519 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.42 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -129.78 134.35 47.53 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.97 179.78 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.478 ' HA ' ' O ' ' A' ' 16' ' ' LYS . 5.0 m -88.53 85.48 6.84 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.106 0.479 . . . . 0.0 110.687 -179.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.42 ' SG ' ' HB3' ' A' ' 45' ' ' LYS . 1.4 m -118.43 166.98 12.01 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.275 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.758 ' HG3' ' HB3' ' A' ' 14' ' ' ASP . 0.9 OUTLIER -124.67 -34.0 2.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.694 0.283 . . . . 0.0 110.394 177.769 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.709 ' HB2' HG23 ' A' ' 61' ' ' ILE . 6.1 t70 56.65 -141.38 0.81 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -169.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -134.09 24.66 3.89 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 173.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.5 t 45.15 61.91 0.21 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.734 -175.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.05 125.92 30.06 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.224 178.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -78.91 54.51 1.58 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.613 0.72 . . . . 0.0 111.657 -172.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.78 16.38 11.85 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.203 173.101 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.772 ' HA3' ' HG ' ' A' ' 59' ' ' LEU . . . -136.33 122.98 2.79 Favored Glycine 0 N--CA 1.443 -0.848 0 CA-C-N 115.23 -0.896 . . . . 0.0 112.057 -178.247 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -110.61 -48.89 3.1 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.199 0.523 . . . . 0.0 109.921 176.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -118.11 -9.36 10.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.772 177.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -146.28 119.23 8.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.09 178.271 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.772 ' HG ' ' HA3' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -116.35 120.21 38.14 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.103 179.747 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.452 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 3.0 mp -86.98 110.68 20.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.892 -0.411 . . . . 0.0 109.892 178.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.709 HG23 ' HB2' ' A' ' 49' ' ' ASP . 1.6 mm -82.68 145.48 8.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.661 -178.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -75.97 140.87 42.26 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.8 173.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.54 -35.41 74.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 111.811 -176.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.67 -5.81 55.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.468 -177.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -104.73 27.04 8.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.525 0.679 . . . . 0.0 110.942 -176.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.5 t -136.89 171.07 15.06 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.218 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.512 HG13 ' CE2' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -78.79 -62.06 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.842 0.354 . . . . 0.0 111.129 -178.325 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.931 -0.556 . . . . 0.0 109.991 -179.088 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.978 0.418 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.02 133.09 49.55 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.247 178.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.605 HG23 ' HG3' ' A' ' 39' ' ' GLN . 0.1 OUTLIER -84.91 137.32 33.19 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.339 179.162 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.576 HD11 ' HB2' ' A' ' 38' ' ' SER . 0.6 OUTLIER -97.8 109.51 23.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 177.68 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.447 ' HA3' ' HD3' ' A' ' 7' ' ' PRO . . . -88.39 -117.5 1.4 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.162 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.447 ' HD3' ' HA3' ' A' ' 6' ' ' GLY . 5.5 Cg_exo -78.66 72.73 6.26 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 123.06 2.507 . . . . 0.0 111.997 -177.329 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 61.83 103.93 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.897 0.748 . . . . 0.0 111.525 178.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.499 ' HB ' HG22 ' A' ' 5' ' ' ILE . 4.7 m -110.24 61.46 0.6 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.058 0.456 . . . . 0.0 110.667 178.169 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.433 ' SG ' ' HA ' ' A' ' 17' ' ' PRO . 0.9 OUTLIER -160.57 99.92 1.3 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.255 -179.308 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 m -119.63 100.54 7.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.782 178.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.585 HD12 ' HB2' ' A' ' 46' ' ' CYS . 51.4 mt -142.72 -55.72 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.43 176.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.437 ' CG ' ' H ' ' A' ' 14' ' ' ASP . 29.6 t70 -177.35 -132.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 -179.236 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.437 ' H ' ' CG ' ' A' ' 13' ' ' ASP . 23.5 t0 -79.95 66.46 5.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.65 0.738 . . . . 0.0 109.175 173.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -132.56 135.94 46.27 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.295 -178.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 0.0 OUTLIER -100.55 154.87 36.94 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.692 -175.475 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.433 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 58.5 Cg_endo -76.9 98.4 1.22 Allowed 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.286 1.991 . . . . 0.0 111.64 177.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 1.065 ' HB3' ' HB3' ' A' ' 31' ' ' CYS . 59.5 m-85 -105.22 137.26 43.29 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.82 -177.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -86.28 89.11 7.75 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 172.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.688 ' HB3' HD22 ' A' ' 29' ' ' LEU . 90.9 m -89.09 115.38 26.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.335 -171.065 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.433 ' H ' ' HG2' ' A' ' 21' ' ' GLN . 0.8 OUTLIER -111.44 144.83 40.01 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 171.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.21 113.34 16.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.079 0.466 . . . . 0.0 110.833 -175.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.6 mmt -82.19 121.23 26.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.638 -176.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 m -81.64 80.71 7.91 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.677 -175.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.41 -25.05 27.72 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.928 175.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.47 -40.06 77.31 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.283 0.563 . . . . 0.0 110.553 179.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -168.46 -153.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.255 -0.884 . . . . 0.0 108.797 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.49 -71.64 0.67 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.957 0.408 . . . . 0.0 110.177 174.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.688 HD22 ' HB3' ' A' ' 20' ' ' CYS . 37.0 mt -124.52 124.9 43.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.17 0.509 . . . . 0.0 110.915 -178.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.631 ' HA3' ' HE2' ' A' ' 58' ' ' PHE . . . -87.65 76.03 2.05 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 175.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 1.065 ' HB3' ' HB3' ' A' ' 18' ' ' TYR . 36.8 m -88.52 102.03 14.52 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.958 0.409 . . . . 0.0 111.609 -173.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.634 HG13 ' HB2' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -82.69 138.27 19.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 174.864 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.1 p -64.61 116.09 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.251 0.548 . . . . 0.0 109.893 178.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.73 -43.33 84.92 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.715 -0.675 . . . . 0.0 113.127 -173.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.629 HG12 HG12 ' A' ' 36' ' ' ILE . 2.2 t 56.87 -112.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 -173.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.629 HG12 HG12 ' A' ' 35' ' ' VAL . 1.5 mm -134.19 131.1 55.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.594 0.235 . . . . 0.0 110.902 -178.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.2 -33.63 6.3 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.724 -0.75 . . . . 0.0 113.925 169.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.576 ' HB2' HD11 ' A' ' 5' ' ' ILE . 1.2 m -56.81 137.86 54.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.221 0.534 . . . . 0.0 112.217 -177.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.605 ' HG3' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -88.7 110.95 21.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.368 178.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.411 ' HB3' HG22 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -83.85 90.74 7.41 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.058 0.456 . . . . 0.0 110.413 179.902 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.17 0.15 80.67 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.964 177.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -120.81 -163.5 1.03 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.96 108.25 6.66 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.913 0.387 . . . . 0.0 111.2 -178.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.411 HG22 ' HB3' ' A' ' 40' ' ' CYS . 1.4 t -71.72 112.19 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 174.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt -129.66 145.73 51.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.189 0.519 . . . . 0.0 111.336 -175.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.585 ' HB2' HD12 ' A' ' 12' ' ' ILE . 13.3 m -97.5 75.61 2.5 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.622 176.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.542 ' HB3' ' HB2' ' A' ' 66' ' ' CYS . 58.2 m -88.77 168.86 12.13 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.617 -175.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.37 130.67 53.35 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.448 174.406 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -174.55 -38.06 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 178.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.7 t0 71.6 -81.17 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 114.19 -1.368 . . . . 0.0 111.46 174.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.0 t -134.7 120.34 31.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.34 -90.5 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 177.009 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -161.46 -73.6 0.06 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.909 0.385 . . . . 0.0 110.399 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.67 121.75 25.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.608 -177.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -108.12 88.89 0.55 Allowed Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 175.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -78.77 -77.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.624 0.25 . . . . 0.0 110.794 -174.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.25 -13.69 7.63 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.033 0.444 . . . . 0.0 110.239 176.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.634 ' HB2' HG13 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -160.23 -179.33 7.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.828 -179.373 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.58 141.39 31.48 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.843 0.354 . . . . 0.0 110.535 -179.525 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -115.58 133.54 61.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.823 177.167 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.927 HD13 ' HB2' ' A' ' 31' ' ' CYS . 0.9 OUTLIER -127.67 142.97 42.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.484 -173.905 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -79.6 130.78 35.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.46 44.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.052 0.453 . . . . 0.0 111.844 -177.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -126.33 -57.14 1.4 Allowed 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 174.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.26 -24.96 64.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.825 -1.079 . . . . 0.0 109.807 172.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.542 ' HB2' ' HB3' ' A' ' 47' ' ' CYS . 1.4 t -78.67 133.23 37.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.452 170.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.421 ' HB ' ' H ' ' A' ' 68' ' ' ALA . 14.6 m -82.8 -156.4 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.34 -176.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.421 ' H ' ' HB ' ' A' ' 67' ' ' VAL . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.431 -0.795 . . . . 0.0 110.972 -175.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.462 ' HA ' ' O ' ' A' ' 40' ' ' CYS . . . . . . . . 0 N--CA 1.454 -0.25 0 CA-C-O 120.698 0.285 . . . . 0.0 110.36 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.64 127.14 50.51 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.931 0.396 . . . . 0.0 111.061 -179.347 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.774 ' HA ' ' HA ' ' A' ' 39' ' ' GLN . 0.2 OUTLIER -86.36 100.66 12.46 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.714 -178.278 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.467 ' HB ' ' OG1' ' A' ' 9' ' ' THR . 0.6 OUTLIER -77.44 155.56 5.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 CA-C-O 121.003 0.43 . . . . 0.0 110.879 -178.617 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.462 ' HA2' ' HA ' ' A' ' 36' ' ' ILE . . . -128.66 -121.41 2.37 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.717 -178.028 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.42 ' HD3' ' HA3' ' A' ' 6' ' ' GLY . 6.1 Cg_exo -79.36 81.84 2.67 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 123.249 2.633 . . . . 0.0 113.066 -175.71 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.818 ' HA ' ' HG3' ' A' ' 17' ' ' PRO . 1.6 t30 64.93 83.1 0.17 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.27 0.557 . . . . 0.0 111.124 173.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.467 ' OG1' ' HB ' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -78.78 -5.91 54.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.974 -176.084 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 96.7 m -113.07 120.41 41.24 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.716 0.293 . . . . 0.0 110.228 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -116.74 57.06 0.78 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.245 0.545 . . . . 0.0 110.44 -179.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.1 mt -120.91 79.83 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.3 t70 64.79 -86.08 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.796 173.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -128.82 4.14 5.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.289 0.566 . . . . 0.0 110.799 -176.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -79.82 122.25 26.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.908 0.385 . . . . 0.0 110.8 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.409 ' HB2' ' HE1' ' A' ' 18' ' ' TYR . 9.7 mttp -92.39 157.02 41.05 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.756 -175.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.818 ' HG3' ' HA ' ' A' ' 8' ' ' ASN . 72.3 Cg_endo -79.42 117.95 3.84 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.616 2.211 . . . . 0.0 111.651 175.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.858 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 11.6 m-85 -125.45 140.54 52.69 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 120.943 0.402 . . . . 0.0 110.904 -175.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.3 t -96.75 78.96 2.93 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.628 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.618 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 2.8 m -101.86 144.49 30.45 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.142 0.496 . . . . 0.0 111.839 -173.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -101.72 127.24 48.58 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 172.43 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.66 114.84 16.91 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.107 0.479 . . . . 0.0 110.668 -175.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.97 109.84 13.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.615 -179.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.92 109.82 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.349 -0.841 . . . . 0.0 112.003 -173.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.57 -2.36 31.42 Favored Glycine 0 N--CA 1.452 -0.278 0 CA-C-N 115.831 -0.622 . . . . 0.0 113.603 175.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.57 -13.87 24.05 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 117.008 0.404 . . . . 0.0 111.296 -175.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 71.49 -62.43 0.46 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.324 0.65 . . . . 0.0 112.186 176.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -64.35 112.37 3.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.059 0.457 . . . . 0.0 110.651 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.434 HD12 ' HB ' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -95.25 140.53 30.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.053 -174.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.438 ' O ' ' HG2' ' A' ' 21' ' ' GLN . . . -86.29 117.71 4.69 Favored Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 110.119 -1.193 . . . . 0.0 110.119 173.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.858 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 10.8 t -124.92 144.98 50.05 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -170.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' ' 57' ' ' SER . 21.7 t -105.59 133.37 50.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 171.421 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 36.7 t -61.32 115.88 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.62 115.69 6.07 Favored Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.124 -178.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.1 m -122.07 -177.03 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 120.686 0.279 . . . . 0.0 110.305 178.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.462 ' HA ' ' HA2' ' A' ' 6' ' ' GLY . 1.1 mp -66.24 108.12 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.548 179.207 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.24 39.68 2.58 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.498 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m -116.16 102.66 9.8 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.915 0.388 . . . . 0.0 110.704 177.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.774 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 27.6 tt0 -79.77 96.02 6.16 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.09 177.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 17.8 m -70.89 108.2 4.4 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.938 -178.221 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.88 -20.73 69.97 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 175.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -97.63 -120.08 0.13 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 178.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 53.8 m -121.03 124.91 45.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.759 0.314 . . . . 0.0 111.152 -178.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.7 p -79.57 112.16 17.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 172.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -111.5 160.43 17.15 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.07 -173.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.505 ' HB2' ' HB3' ' A' ' 68' ' ' ALA . 38.9 m -112.48 93.62 4.53 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.645 177.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.8 m -112.75 149.57 32.79 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.682 -176.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.14 -46.37 29.06 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 171.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 68.63 157.61 0.14 Allowed 'General case' 0 CA--C 1.533 0.305 0 O-C-N 124.459 1.099 . . . . 0.0 111.058 171.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -121.84 57.99 1.03 Allowed 'General case' 0 C--N 1.322 -0.623 0 O-C-N 122.115 -0.366 . . . . 0.0 111.067 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 p -58.43 100.32 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-O 121.81 0.814 . . . . 0.0 109.939 173.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.4 -64.95 1.07 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.092 -175.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -161.1 -45.1 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.495 0.664 . . . . 0.0 109.475 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.18 107.51 19.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.534 177.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 149.04 111.89 0.61 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.077 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -136.02 -61.14 0.71 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.861 0.362 . . . . 0.0 110.122 178.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.407 ' O ' HG13 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -79.93 -28.31 39.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.12 0.486 . . . . 0.0 110.393 178.659 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -140.7 126.9 19.69 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.808 179.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.03 148.62 52.77 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.232 176.268 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 40.7 mm -105.19 124.26 59.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.801 0.334 . . . . 0.0 110.388 -179.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.474 HG21 ' SG ' ' A' ' 66' ' ' CYS . 36.8 mt -112.51 131.12 64.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.164 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -81.66 52.76 1.97 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -175.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.434 ' HA ' HD11 ' A' ' 29' ' ' LEU . . . 65.92 -66.99 0.15 Allowed 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 173.081 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.09 -4.34 43.91 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -166.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.47 -20.78 46.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.323 0.582 . . . . 0.0 110.247 177.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.474 ' SG ' HG21 ' A' ' 61' ' ' ILE . 80.2 m -95.45 97.58 9.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.052 174.074 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.3 m -79.71 -30.0 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.901 0.381 . . . . 0.0 111.186 -176.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.505 ' HB3' ' HB2' ' A' ' 46' ' ' CYS . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.641 -0.695 . . . . 0.0 110.083 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.021 0 CA-C-O 120.788 0.328 . . . . 0.0 110.649 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -160.04 158.11 29.88 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.52 116.74 29.27 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.089 0.471 . . . . 0.0 110.995 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.98 100.43 12.13 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.564 178.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.42 ' O ' HG13 ' A' ' 5' ' ' ILE . 1.0 OUTLIER -82.06 150.36 4.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.352 0.596 . . . . 0.0 111.917 -172.022 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -107.31 -168.45 22.04 Favored Glycine 0 N--CA 1.445 -0.745 0 N-CA-C 110.634 -0.987 . . . . 0.0 110.634 172.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.584 ' HD3' HG23 ' A' ' 36' ' ' ILE . 89.1 Cg_endo -79.54 -0.08 10.43 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.463 2.108 . . . . 0.0 112.351 -177.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -126.33 44.06 2.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.715 -176.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.413 HG21 ' HB ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -79.93 -51.4 9.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.802 177.867 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.604 ' H ' ' HG3' ' A' ' 17' ' ' PRO . 83.4 m -124.4 99.46 6.21 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.879 178.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.56 63.63 0.61 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.328 0.585 . . . . 0.0 110.047 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.1 mt -123.71 110.57 26.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.385 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.451 ' HB3' ' H ' ' A' ' 14' ' ' ASP . 4.0 t70 60.09 -99.77 0.1 Allowed 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.581 0.551 . . . . 0.0 111.287 175.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.451 ' H ' ' HB3' ' A' ' 13' ' ' ASP . 26.8 t0 -136.25 17.99 3.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.69 0.757 . . . . 0.0 109.866 178.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -89.61 97.85 11.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.611 -177.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.8 159.27 84.72 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.024 -176.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.604 ' HG3' ' H ' ' A' ' 10' ' ' CYS . 3.7 Cg_exo -78.13 123.66 6.27 Favored 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 122.757 2.305 . . . . 0.0 111.608 176.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.849 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 23.6 m-85 -128.34 138.95 52.61 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.726 -176.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -92.65 98.65 11.56 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 176.435 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.504 ' SG ' HD12 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -104.04 138.23 40.86 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.43 0.633 . . . . 0.0 112.328 -171.784 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -123.25 127.81 49.11 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.185 -0.916 . . . . 0.0 108.914 172.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.38 133.22 37.57 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.743 0.306 . . . . 0.0 110.701 -177.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.57 155.5 28.14 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.484 -179.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -74.85 0.11 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.89 -176.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.43 29.19 10.85 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.211 -178.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.08 135.62 47.69 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.54 50.33 1.87 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.162 0.506 . . . . 0.0 111.012 -178.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.493 ' HB3' HG23 ' A' ' 60' ' ' ILE . 0.7 OUTLIER -133.55 130.79 38.94 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.34 -179.49 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.564 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 70.5 mt -86.34 115.11 23.66 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 173.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -78.83 97.78 1.52 Allowed Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 178.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.849 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -111.46 140.66 45.87 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.196 0.522 . . . . 0.0 111.786 -172.107 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.5 t -111.78 138.94 38.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 170.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.9 p -67.08 129.11 31.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.042 0.448 . . . . 0.0 110.63 -178.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.5 125.08 7.14 Favored Glycine 0 N--CA 1.441 -1.02 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.242 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.39 -178.9 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 175.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.584 HG23 ' HD3' ' A' ' 7' ' ' PRO . 1.3 mp -73.3 107.64 4.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 120.768 0.318 . . . . 0.0 110.818 -177.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.38 19.25 11.63 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.611 -0.804 . . . . 0.0 113.145 177.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m -80.29 125.1 29.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.776 0.322 . . . . 0.0 110.955 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -80.58 80.44 7.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.394 0.616 . . . . 0.0 109.721 176.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -76.72 99.88 5.23 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.201 -175.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.77 19.8 53.17 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.663 176.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -128.01 -171.25 2.4 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.93 106.04 4.08 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.788 0.327 . . . . 0.0 110.713 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.2 t -84.71 89.28 2.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.123 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.33 166.46 10.96 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.618 -177.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.436 ' HB3' ' HB3' ' A' ' 10' ' ' CYS . 0.3 OUTLIER -109.94 106.79 16.47 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.789 176.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.8 m -126.06 160.09 31.02 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.407 -176.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.34 -37.15 9.36 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.738 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 5.9 t70 30.55 -122.16 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 O-C-N 125.145 1.528 . . . . 0.0 112.295 -177.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -135.63 104.72 5.9 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.009 0.433 . . . . 0.0 110.908 175.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -106.73 17.84 6.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 172.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.98 -44.01 8.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.426 -176.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -119.9 -29.24 5.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.126 0.489 . . . . 0.0 110.809 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.35 166.7 10.27 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.644 178.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 133.53 72.32 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.419 177.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -122.32 -130.14 0.27 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.47 -0.196 . . . . 0.0 110.47 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.12 -13.06 59.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.85 0.357 . . . . 0.0 110.977 -179.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -152.34 150.55 29.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.441 177.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -147.04 137.85 23.75 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.445 176.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.493 HG23 ' HB3' ' A' ' 28' ' ' SER . 1.1 mp -105.1 119.21 53.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.564 ' HB ' ' HB2' ' A' ' 29' ' ' LEU . 79.4 mt -96.79 127.13 49.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.033 177.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -86.02 43.82 1.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.309 -178.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 68.35 -63.01 0.35 Allowed 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 176.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.26 49.76 1.0 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.212 0.529 . . . . 0.0 111.923 -172.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.738 ' ND2' ' HA ' ' A' ' 49' ' ' ASP . 1.2 t-20 -145.3 10.68 1.29 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.296 0.57 . . . . 0.0 110.581 178.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.5 t -129.22 144.95 51.4 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.056 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.3 m -107.59 12.57 8.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 121.093 0.473 . . . . 0.0 110.652 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.933 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.36 178.711 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.872 0 CA-C-O 120.491 0.186 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.79 155.33 22.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.551 0.215 . . . . 0.0 111.117 -178.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.16 -27.32 14.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.917 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.659 ' HA ' ' HA ' ' A' ' 39' ' ' GLN . 2.0 m 60.29 90.87 0.06 Allowed 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.472 0.482 . . . . 0.0 110.785 -175.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.417 HD13 ' HB2' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -85.93 159.72 3.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.201 0.524 . . . . 0.0 111.686 -174.554 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -164.44 -155.42 8.37 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -79.53 51.73 4.0 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 123.12 2.547 . . . . 0.0 111.674 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -160.69 -16.28 0.05 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.27 -175.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.92 -33.91 45.08 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -170.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.587 ' HB2' ' HG3' ' A' ' 17' ' ' PRO . 2.9 t -114.34 135.9 53.57 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.939 0.4 . . . . 0.0 110.933 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.67 17.14 2.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.999 175.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 mt -92.97 97.07 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.657 -174.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.44 ' HB3' ' H ' ' A' ' 14' ' ' ASP . 1.1 t0 54.22 -136.48 1.32 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.739 174.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.44 ' H ' ' HB3' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -98.81 13.78 31.16 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.465 0.65 . . . . 0.0 110.882 -177.236 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.644 ' CD2' ' HB2' ' A' ' 48' ' ' LYS . 65.8 m-85 -79.34 155.75 28.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.98 179.154 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.64 154.65 50.9 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.287 -176.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.587 ' HG3' ' HB2' ' A' ' 10' ' ' CYS . 3.4 Cg_exo -78.84 134.18 11.8 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 122.711 2.274 . . . . 0.0 111.797 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.474 ' CD1' ' HA ' ' A' ' 33' ' ' VAL . 65.2 m-85 -135.04 146.77 49.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.558 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.407 ' HB3' HG13 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -79.47 71.4 6.04 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 176.492 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 64.1 m -81.82 131.21 35.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.147 -175.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -99.3 165.32 11.74 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.264 174.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.2 99.55 12.03 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.923 0.392 . . . . 0.0 110.372 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.92 104.6 16.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.624 -176.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.51 -24.39 27.34 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.09 179.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.36 -62.74 3.54 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.334 -178.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.09 147.43 32.42 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.758 0.313 . . . . 0.0 110.704 -178.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.13 58.9 3.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.468 0.651 . . . . 0.0 110.014 176.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -144.32 145.41 31.98 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.235 -0.893 . . . . 0.0 108.75 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.467 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 3.5 mm? -88.09 96.8 10.66 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.089 0.471 . . . . 0.0 111.277 -173.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -78.01 87.91 1.08 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.77 -0.728 . . . . 0.0 111.434 176.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.467 ' SG ' ' HB3' ' A' ' 29' ' ' LEU . 3.1 m -117.57 -178.41 3.47 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.258 0.552 . . . . 0.0 111.173 -177.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.407 HG13 ' HB3' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -142.22 146.93 21.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 172.316 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.474 ' HA ' ' CD1' ' A' ' 18' ' ' TYR . 4.5 t -51.29 114.22 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 O-C-N 123.415 0.447 . . . . 0.0 111.719 -176.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.31 103.34 2.27 Favored Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 111.274 -0.731 . . . . 0.0 111.274 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 m -102.41 176.29 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.5 mt -62.76 114.23 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.084 0.468 . . . . 0.0 110.367 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.45 -6.71 28.32 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.555 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.3 m -68.13 107.23 2.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.14 0.495 . . . . 0.0 110.731 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.659 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 8.9 mt-30 -80.23 72.17 7.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.326 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 24.6 m -65.11 124.3 21.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.383 -177.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -122.01 56.08 0.65 Allowed Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 111.466 -0.654 . . . . 0.0 111.466 176.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -147.38 -126.46 0.06 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.452 0.168 . . . . 0.0 110.668 -177.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.4 m -84.49 -29.9 25.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.423 0.154 . . . . 0.0 111.154 -178.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.4 t 53.69 82.43 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-O 121.272 0.558 . . . . 0.0 110.385 -176.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -114.2 168.0 10.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.265 -171.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 17.0 m -126.83 110.86 13.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.403 0.621 . . . . 0.0 110.018 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.404 ' HB3' HG21 ' A' ' 61' ' ' ILE . 62.8 m -119.99 159.28 25.03 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.485 -176.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.644 ' HB2' ' CD2' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -100.89 -58.63 1.85 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 177.029 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.612 ' HB2' HG23 ' A' ' 61' ' ' ILE . 7.3 t70 53.68 -146.66 0.53 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.135 -176.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.405 ' H ' ' CG ' ' A' ' 49' ' ' ASP . 38.8 t70 -124.91 -29.42 3.37 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 174.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 t 58.15 56.04 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.422 -179.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.92 36.37 0.56 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.356 -178.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.442 HD21 HD21 ' A' ' 59' ' ' LEU . 11.0 p30 -138.62 161.52 36.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.723 179.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.45 53.89 2.81 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.679 -177.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 62.55 70.31 1.07 Allowed Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.743 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -78.58 163.13 25.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.652 0.263 . . . . 0.0 110.652 -179.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -12.03 59.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.062 -175.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -145.39 132.37 20.26 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.663 174.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.442 HD21 HD21 ' A' ' 53' ' ' ASN . 0.1 OUTLIER -129.68 108.45 10.21 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.986 -176.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.5 mp -83.06 95.63 3.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 175.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.612 HG23 ' HB2' ' A' ' 49' ' ' ASP . 8.6 mt -86.11 147.31 5.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.622 -175.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -69.29 130.98 44.11 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.085 176.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.72 -28.79 67.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.296 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.96 -1.88 37.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.911 0.386 . . . . 0.0 110.992 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.453 ' ND2' ' HA ' ' A' ' 49' ' ' ASP . 0.9 OUTLIER -111.56 2.04 17.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.732 0.777 . . . . 0.0 109.817 176.672 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 96.4 m -108.97 127.96 54.52 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.06 174.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.0 m -105.56 -45.63 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.907 0.384 . . . . 0.0 111.035 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.843 0 CA-C-O 118.703 -0.665 . . . . 0.0 109.439 179.439 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.445 ' HB2' ' H ' ' A' ' 2' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.81 0 CA-C-O 120.609 0.242 . . . . 0.0 110.667 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.609 ' HB1' ' HA2' ' A' ' 41' ' ' GLY . . . -109.13 -172.48 2.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.597 0.237 . . . . 0.0 110.667 -178.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.586 ' O ' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -78.62 120.96 24.05 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.069 0.461 . . . . 0.0 110.515 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.77 108.31 19.78 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.58 -176.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.547 ' HB ' ' OG1' ' A' ' 9' ' ' THR . 0.5 OUTLIER -95.04 139.22 19.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.675 179.511 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.418 ' O ' ' HA ' ' A' ' 36' ' ' ILE . . . -102.66 -122.38 5.08 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.491 -0.862 . . . . 0.0 112.023 -177.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -78.55 72.19 6.49 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.514 2.143 . . . . 0.0 112.197 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 58.1 t30 66.85 98.1 0.05 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.926 175.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.547 ' OG1' ' HB ' ' A' ' 5' ' ' ILE . 0.9 OUTLIER -87.26 14.84 7.09 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.584 0.707 . . . . 0.0 110.782 177.204 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 36.5 m -134.64 55.84 1.88 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.596 176.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.19 63.35 3.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.582 0.706 . . . . 0.0 111.215 -176.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.5 mt -105.0 -57.33 4.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.72 177.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -170.18 -136.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.885 -1.052 . . . . 0.0 108.55 -177.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -81.95 57.5 3.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.652 0.739 . . . . 0.0 110.393 177.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -127.46 124.91 39.54 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.161 176.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 12.1 mmtt -92.91 153.34 41.98 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.644 -173.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 5.9 Cg_exo -78.91 101.82 1.48 Allowed 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 122.873 2.382 . . . . 0.0 111.934 178.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.582 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 31.0 m-85 -98.54 173.64 6.84 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 175.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.498 ' HB2' ' HB2' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -134.98 93.33 2.99 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.859 0.361 . . . . 0.0 110.027 176.122 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.413 ' SG ' HD12 ' A' ' 61' ' ' ILE . 1.8 m -84.87 116.24 23.21 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.87 -174.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.524 ' HG2' ' H ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -92.3 128.43 38.15 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.189 176.634 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.13 112.94 15.6 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.1 mmt -78.13 117.21 19.2 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.336 0.589 . . . . 0.0 110.591 -173.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.41 68.87 9.82 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.647 0.737 . . . . 0.0 109.812 -179.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 160.8 -55.46 0.32 Allowed Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.603 -177.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.88 129.08 35.67 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 175.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.16 57.49 3.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.149 0.5 . . . . 0.0 111.01 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -143.21 155.47 44.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.64 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.3 mt -102.94 119.09 38.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.787 0.327 . . . . 0.0 110.65 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -107.01 116.71 5.08 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.582 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -112.99 110.68 20.91 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.394 0.616 . . . . 0.0 111.207 -174.192 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.1 t -87.0 126.13 40.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.556 176.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.6 t -71.94 137.03 24.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 120.947 0.403 . . . . 0.0 111.301 -173.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -124.13 105.65 0.9 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 121.097 -0.573 . . . . 0.0 111.671 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -90.88 -174.11 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 110.477 -0.194 . . . . 0.0 110.477 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.418 ' HA ' ' O ' ' A' ' 6' ' ' GLY . 60.1 mt -61.81 113.05 0.99 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-O 120.995 0.426 . . . . 0.0 111.295 -176.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.67 26.76 26.35 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.23 178.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.9 m -114.86 159.4 20.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.013 0.435 . . . . 0.0 111.418 -178.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.586 ' HA ' ' O ' ' A' ' 3' ' ' THR . 5.3 mt-30 -115.94 103.07 10.24 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 177.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.498 ' HB2' ' HB2' ' A' ' 19' ' ' CYS . 29.3 p -76.01 -43.86 42.23 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.84 -171.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.609 ' HA2' ' HB1' ' A' ' 2' ' ' ALA . . . 135.63 -52.29 0.8 Allowed Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.033 -1.08 . . . . 0.0 114.039 173.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -129.23 -126.72 0.21 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.969 0.385 . . . . 0.0 111.57 -172.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.53 126.46 30.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.876 0.37 . . . . 0.0 111.295 -177.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 43.0 t -77.6 122.84 33.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.77 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.5 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 0.2 OUTLIER -124.75 129.8 51.17 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.342 -175.426 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.569 ' H ' ' HB3' ' A' ' 68' ' ' ALA . 27.6 m -87.16 99.21 11.77 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.218 0.532 . . . . 0.0 110.659 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.5 ' SG ' ' HB3' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -138.19 -176.45 4.45 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.333 -177.88 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -140.09 -53.57 0.52 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 176.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.577 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 2.5 t70 62.86 -157.22 0.33 Allowed 'General case' 0 C--O 1.237 0.399 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.982 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -112.62 94.3 4.85 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.002 0.43 . . . . 0.0 110.37 -178.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.3 t -84.19 70.05 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.246 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.73 -85.52 0.08 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.398 178.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -130.55 8.58 4.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.399 0.619 . . . . 0.0 109.626 177.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.56 125.44 33.78 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.622 -179.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 156.84 54.2 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.265 177.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -79.91 -65.66 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.58 -52.26 4.85 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.313 0.578 . . . . 0.0 109.499 174.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.1 p90 -158.19 179.33 9.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.114 176.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.93 112.96 25.22 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.035 0.445 . . . . 0.0 111.205 -177.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.2 mt -79.69 115.89 22.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 174.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.56 HG22 ' H ' ' A' ' 63' ' ' ALA . 8.2 mt -80.55 144.77 10.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.423 -171.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -79.73 33.89 0.27 Allowed 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.408 -178.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.56 ' H ' HG22 ' A' ' 61' ' ' ILE . . . 66.35 -79.79 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 123.868 0.867 . . . . 0.0 112.228 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.81 57.37 2.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.025 0.44 . . . . 0.0 111.79 -173.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.577 ' ND2' ' HA ' ' A' ' 49' ' ' ASP . 1.4 t-20 -143.74 17.18 1.81 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.629 0.728 . . . . 0.0 110.321 176.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.43 ' HA ' ' HB3' ' A' ' 47' ' ' CYS . 11.0 t -129.97 132.44 46.3 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.472 177.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.6 m -115.13 18.99 7.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -173.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.569 ' HB3' ' H ' ' A' ' 46' ' ' CYS . . . . . . . . 0 C--O 1.246 0.897 0 CA-C-O 118.924 -0.56 . . . . 0.0 110.176 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.476 0.838 0 CA-C-O 120.473 0.178 . . . . 0.0 110.566 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.25 105.54 12.53 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 120.993 0.425 . . . . 0.0 110.671 -178.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.31 -35.72 30.67 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.003 177.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.506 ' HA ' ' HA ' ' A' ' 39' ' ' GLN . 1.4 m 46.93 74.58 0.15 Allowed 'General case' 0 N--CA 1.463 0.191 0 O-C-N 123.651 0.594 . . . . 0.0 110.957 -176.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.2 pt -67.95 149.55 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.309 -173.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.583 ' O ' ' HA ' ' A' ' 36' ' ' ILE . . . -96.36 -136.41 8.87 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.213 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.892 ' HA ' HG12 ' A' ' 36' ' ' ILE . 5.0 Cg_exo -79.4 75.19 5.19 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 123.102 2.534 . . . . 0.0 112.305 -178.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.522 ' HA ' ' HG3' ' A' ' 17' ' ' PRO . 32.0 t30 73.1 109.85 0.07 Allowed 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 121.546 0.688 . . . . 0.0 111.17 176.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 m -79.82 -15.01 58.25 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.649 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 88.6 m -116.86 78.59 1.22 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.892 0.377 . . . . 0.0 110.79 -179.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.75 61.5 2.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.953 0.406 . . . . 0.0 111.803 -178.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.457 ' HB ' ' H ' ' A' ' 13' ' ' ASP . 1.0 OUTLIER -107.14 -93.47 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.592 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.457 ' H ' ' HB ' ' A' ' 12' ' ' ILE . 5.0 t70 -127.07 -137.01 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 176.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.454 ' O ' ' HD2' ' A' ' 48' ' ' LYS . 26.1 t70 -79.21 53.64 1.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.708 0.766 . . . . 0.0 110.58 177.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.454 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . 3.5 m-85 -113.05 89.65 3.14 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.127 178.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.26 138.45 94.42 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.257 -172.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.522 ' HG3' ' HA ' ' A' ' 8' ' ' ASN . 74.5 Cg_endo -79.38 119.8 4.27 Favored 'Trans proline' 0 C--O 1.237 0.441 0 C-N-CA 122.768 2.312 . . . . 0.0 112.099 178.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -122.87 151.75 41.42 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.059 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.61 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -85.12 85.44 7.47 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.073 178.332 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.505 ' HB3' HD22 ' A' ' 29' ' ' LEU . 89.9 m -87.85 144.57 26.51 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.712 -178.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.57 137.42 48.45 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.945 176.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.71 83.78 7.01 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 176.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.04 119.54 22.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.503 -174.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.64 127.25 32.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.246 175.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 153.76 -67.94 0.31 Allowed Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -178.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -116.62 -2.15 12.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.777 0.323 . . . . 0.0 110.509 175.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 56.81 40.9 28.74 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.505 -176.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.04 -93.88 0.07 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.654 -178.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.505 HD22 ' HB3' ' A' ' 20' ' ' CYS . 3.3 mt 178.92 -107.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.576 178.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.431 ' H ' ' HB3' ' A' ' 29' ' ' LEU . . . 104.21 110.52 3.49 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -175.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.72 ' HB2' HD12 ' A' ' 61' ' ' ILE . 3.5 m -144.04 122.22 12.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.742 0.306 . . . . 0.0 110.931 -174.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -93.47 164.19 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 174.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -68.63 119.63 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.878 0.371 . . . . 0.0 111.539 -174.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -92.03 -65.41 1.13 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.623 -0.798 . . . . 0.0 111.447 176.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.424 ' HB ' ' H ' ' A' ' 36' ' ' ILE . 4.0 t 57.23 -99.73 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 123.062 0.545 . . . . 0.0 111.873 176.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.892 HG12 ' HA ' ' A' ' 7' ' ' PRO . 66.9 mt -140.51 116.05 7.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.665 -177.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.22 49.32 5.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.909 -0.662 . . . . 0.0 113.356 175.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.3 m -121.08 133.15 55.22 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.871 0.367 . . . . 0.0 110.428 176.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.506 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -79.57 78.61 6.1 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.124 0.488 . . . . 0.0 110.657 -178.757 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.69 140.37 58.19 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.95 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -120.66 6.87 11.31 Favored Glycine 0 N--CA 1.449 -0.444 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 176.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -130.9 -130.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 -177.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.27 126.39 54.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.686 0.279 . . . . 0.0 110.665 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.0 t -82.79 110.11 17.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 177.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.1 mmpt? -118.05 153.88 32.98 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.72 -177.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.454 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -97.08 109.94 22.59 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.189 179.751 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.96 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 3.0 m -112.77 132.52 55.2 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.06 0.457 . . . . 0.0 111.17 -177.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.454 ' HB3' ' HB2' ' A' ' 65' ' ' ASN . 12.8 tptp -80.37 49.87 1.2 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.524 0.678 . . . . 0.0 109.512 172.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -109.3 96.42 6.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.2 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.9 81.78 5.15 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.769 -175.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.2 m -58.21 120.92 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.449 178.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.42 13.42 33.32 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.307 0.575 . . . . 0.0 110.726 -176.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -160.05 169.6 23.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.781 177.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.9 -26.11 43.78 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.952 0.406 . . . . 0.0 110.74 179.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 75.83 -157.69 49.14 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.795 176.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.57 -144.05 0.17 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 178.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.16 -25.9 42.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.148 0.499 . . . . 0.0 110.181 175.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -132.32 149.99 52.25 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.347 -175.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -129.03 142.74 50.81 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.023 177.467 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.8 mp -120.25 106.45 18.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 120.968 0.413 . . . . 0.0 110.352 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.72 HD12 ' HB2' ' A' ' 31' ' ' CYS . 4.3 mt -96.31 145.81 8.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.809 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -81.35 145.23 30.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.929 0.395 . . . . 0.0 111.4 -176.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.98 61.99 1.57 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.364 0.602 . . . . 0.0 110.391 175.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.34 -58.45 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.721 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.454 ' HB2' ' HB3' ' A' ' 48' ' ' LYS . 32.3 p-10 -79.52 -30.43 41.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.091 175.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.96 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 8.7 t -79.24 130.18 35.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.959 170.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 46' ' ' CYS . 17.0 m -100.2 178.84 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.173 179.243 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.498 -0.763 . . . . 0.0 110.624 -177.983 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.518 ' HB1' ' HA2' ' A' ' 41' ' ' GLY . . . -131.71 159.02 39.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.409 179.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.93 128.94 34.9 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.818 -176.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.07 135.91 36.04 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 176.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.468 HG22 HG22 ' A' ' 44' ' ' VAL . 1.0 OUTLIER -95.17 148.86 4.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.048 0.451 . . . . 0.0 111.361 -175.768 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -88.8 168.7 36.14 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.453 175.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.709 ' HB3' HG23 ' A' ' 36' ' ' ILE . 2.7 Cg_exo -77.9 -28.5 5.01 Favored 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 122.812 2.342 . . . . 0.0 112.499 -177.348 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -126.49 49.81 1.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.988 0.423 . . . . 0.0 110.96 -177.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.05 -5.6 54.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.197 0.523 . . . . 0.0 110.926 177.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 92.5 m -105.18 114.63 28.93 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.316 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.48 61.44 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.559 0.695 . . . . 0.0 110.183 177.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.481 HD13 HG21 ' A' ' 67' ' ' VAL . 9.1 mt -126.42 -79.92 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.68 -177.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -149.44 -142.2 0.12 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -79.76 75.26 6.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.471 0.653 . . . . 0.0 109.848 175.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -126.98 145.65 50.62 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.537 179.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.82 147.45 35.45 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.3 -175.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -79.03 106.28 2.06 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 122.647 2.231 . . . . 0.0 111.675 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -109.27 157.26 19.01 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.164 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 51.5 t -102.05 89.24 3.56 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.582 175.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.542 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 0.6 OUTLIER -84.4 116.26 22.96 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.021 -176.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -78.42 115.92 18.46 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.559 175.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.36 80.22 5.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.314 0.578 . . . . 0.0 110.398 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 44.4 mtm -79.92 81.31 6.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.191 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 m -56.51 115.89 2.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.677 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.88 -1.13 9.99 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 110.611 -0.995 . . . . 0.0 110.611 -174.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.43 130.76 15.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.217 -0.492 . . . . 0.0 109.777 179.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.11 42.49 0.99 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.398 0.618 . . . . 0.0 110.589 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -122.88 114.3 20.29 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.297 -179.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.447 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 0.3 OUTLIER -81.54 104.65 12.11 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.16 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 20' ' ' CYS . . . -84.44 84.36 1.59 Allowed Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 179.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.542 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 0.8 OUTLIER -94.31 91.16 6.58 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.324 0.583 . . . . 0.0 110.681 -174.16 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.825 ' HA ' ' HB2' ' A' ' 58' ' ' PHE . 1.7 t -69.47 144.21 14.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.786 177.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.8 t -58.03 115.78 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.815 0.34 . . . . 0.0 111.188 -176.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -90.73 93.28 1.84 Allowed Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 111.547 -0.621 . . . . 0.0 111.547 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -82.5 166.46 2.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 120.787 0.327 . . . . 0.0 110.355 -178.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.709 HG23 ' HB3' ' A' ' 7' ' ' PRO . 29.0 mm -64.45 111.9 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.299 -175.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.38 27.3 40.12 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.327 178.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.7 m -102.3 146.36 28.13 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.071 0.463 . . . . 0.0 110.96 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.448 ' NE2' ' HB3' ' A' ' 2' ' ' ALA . 0.8 OUTLIER -80.93 131.86 35.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.464 179.598 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.42 ' HB2' ' CG2' ' A' ' 5' ' ' ILE . 42.4 t -91.64 -69.6 0.73 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.759 178.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.518 ' HA2' ' HB1' ' A' ' 2' ' ' ALA . . . 99.5 -39.15 2.83 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.83 -176.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -99.44 -100.27 0.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.479 0.18 . . . . 0.0 111.126 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.31 133.25 29.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.672 0.272 . . . . 0.0 111.337 -177.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.468 HG22 HG22 ' A' ' 5' ' ' ILE . 2.8 t -79.77 110.87 15.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.672 175.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.537 ' HG3' ' HB2' ' A' ' 20' ' ' CYS . 15.7 mtpp -119.67 135.86 54.64 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.605 -177.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 72.1 m -95.06 83.69 3.97 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.311 0.577 . . . . 0.0 110.103 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.6 m -109.55 -171.68 1.89 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.317 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -134.5 -58.1 0.83 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 176.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.559 ' HA ' ' CG ' ' A' ' 65' ' ' ASN . 4.9 t70 53.17 -141.77 0.84 Allowed 'General case' 0 C--O 1.235 0.316 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.404 -176.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.583 ' CG ' ' HB2' ' A' ' 53' ' ' ASN . 11.2 t0 -130.56 105.64 7.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.0 0.428 . . . . 0.0 110.672 177.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.563 HG12 HD11 ' A' ' 59' ' ' LEU . 16.5 m -79.19 -15.68 13.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.822 -177.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.417 HG23 ' OD1' ' A' ' 50' ' ' ASP . 0.2 OUTLIER -103.69 -30.97 10.1 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.282 -175.204 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.583 ' HB2' ' CG ' ' A' ' 50' ' ' ASP . 3.3 m-20 -79.78 -54.27 6.0 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.849 0.357 . . . . 0.0 110.8 177.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.05 76.3 6.78 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 121.057 0.456 . . . . 0.0 110.924 -178.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -70.15 103.24 1.12 Allowed Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.481 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.489 HD22 ' HA ' ' A' ' 56' ' ' ASN . 0.6 OUTLIER -160.37 173.11 16.12 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 176.796 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.87 -9.65 59.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.269 0.557 . . . . 0.0 110.891 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.825 ' HB2' ' HA ' ' A' ' 32' ' ' VAL . 4.5 p90 -151.24 150.95 31.17 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.161 175.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.563 HD11 HG12 ' A' ' 51' ' ' VAL . 21.0 mt -100.94 115.18 29.82 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.123 0.487 . . . . 0.0 111.459 -172.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.2 mt -82.6 111.22 18.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 171.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.513 HD11 ' HB2' ' A' ' 31' ' ' CYS . 7.7 mm -77.48 135.74 25.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.868 0.366 . . . . 0.0 110.795 -173.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -79.36 40.26 0.42 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.565 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 64.27 -73.22 0.05 Allowed 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.511 0.724 . . . . 0.0 111.901 -178.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.79 59.81 3.23 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.212 0.53 . . . . 0.0 111.982 -174.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.559 ' CG ' ' HA ' ' A' ' 49' ' ' ASP . 0.9 OUTLIER -151.23 23.34 0.73 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.841 0.829 . . . . 0.0 109.894 173.406 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 5.5 t -135.99 162.94 31.47 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.472 -1.24 . . . . 0.0 109.009 177.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.481 HG21 HD13 ' A' ' 12' ' ' ILE . 3.2 t -79.88 -78.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.855 0.36 . . . . 0.0 110.896 -179.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.15 0 CA-C-O 117.975 -1.012 . . . . 0.0 109.717 -179.464 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.002 0 CA-C-O 120.81 0.338 . . . . 0.0 111.416 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.45 145.73 24.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.568 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.44 131.83 35.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.142 0.496 . . . . 0.0 111.358 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.5 m -79.58 104.95 10.53 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.166 176.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -108.93 154.37 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.935 0.398 . . . . 0.0 110.906 -178.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -159.57 -146.67 4.64 Favored Glycine 0 N--CA 1.445 -0.732 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.989 -179.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -88.79 22.77 0.81 Allowed 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 123.268 2.646 . . . . 0.0 113.305 -177.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.423 ' HA ' ' OG ' ' A' ' 11' ' ' SER . 1.9 p-10 -150.49 19.87 0.83 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.974 0.416 . . . . 0.0 111.6 179.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -93.06 -29.43 15.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.119 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.81 46.8 2.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.459 0.647 . . . . 0.0 109.672 177.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.423 ' OG ' ' HA ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -79.41 61.91 3.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.672 -176.378 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.43 ' HB ' ' H ' ' A' ' 13' ' ' ASP . 13.6 mt -98.41 -89.23 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.956 176.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.43 ' H ' ' HB ' ' A' ' 12' ' ' ILE . 8.3 t70 -113.09 -139.26 0.38 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 177.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -85.78 19.36 2.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.681 0.753 . . . . 0.0 109.606 173.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -78.59 137.36 37.83 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.122 -0.945 . . . . 0.0 108.88 176.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.89 153.49 39.32 Favored Pre-proline 0 C--N 1.319 -0.749 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.545 -174.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -76.7 103.23 1.72 Allowed 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 122.342 2.028 . . . . 0.0 111.167 176.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.836 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 51.5 m-85 -105.39 120.1 40.75 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.773 -177.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.509 ' HA ' ' O ' ' A' ' 43' ' ' SER . 63.7 m -99.08 102.02 13.58 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.322 0.582 . . . . 0.0 110.409 -177.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.495 ' HB3' ' HA ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -127.64 175.8 8.01 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.049 -175.572 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -110.96 147.54 34.47 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 174.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.02 120.19 23.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.805 0.336 . . . . 0.0 110.94 -177.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.437 ' SD ' ' HA ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -80.15 -156.09 0.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.591 178.526 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.9 69.95 2.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.087 0.47 . . . . 0.0 110.91 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.93 -86.5 0.77 Allowed Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.676 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.21 119.54 25.42 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.676 0.274 . . . . 0.0 110.304 -177.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -168.17 -178.4 3.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.765 -178.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.23 81.09 3.02 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 173.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.437 ' HA ' ' SD ' ' A' ' 23' ' ' MET . 0.5 OUTLIER -72.71 140.93 48.16 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.737 -172.645 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.08 122.24 5.78 Favored Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.586 178.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.836 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 11.1 t -125.66 160.88 28.55 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 120.666 0.27 . . . . 0.0 111.329 -174.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.8 t -124.62 130.81 73.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 173.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.3 p -66.44 125.71 24.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 178.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.01 -42.27 96.85 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.757 -176.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.0 t 72.32 149.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 122.998 0.519 . . . . 0.0 110.471 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.6 mm -74.25 111.81 10.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.129 -176.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.67 55.92 1.95 Allowed Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.423 177.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.09 165.2 28.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.932 0.396 . . . . 0.0 111.243 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -100.91 95.33 6.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.916 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -74.65 116.81 15.77 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.119 0.485 . . . . 0.0 111.199 -175.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.11 36.37 3.69 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.103 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.403 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . . . -156.1 178.42 10.31 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 -177.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.509 ' O ' ' HA ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -74.97 123.27 24.83 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.037 -178.212 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.4 t -82.01 113.77 21.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.925 0.393 . . . . 0.0 111.114 -177.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -110.69 178.11 4.47 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.972 177.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -132.01 96.1 3.83 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.334 0.588 . . . . 0.0 110.231 179.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.1 m -123.93 -178.49 4.08 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.063 -178.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.59 -61.61 1.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.706 0.288 . . . . 0.0 110.552 178.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 t70 53.34 -137.42 1.23 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.792 -172.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -159.97 96.84 1.25 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.043 0.449 . . . . 0.0 111.065 175.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.2 t -77.12 65.9 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.362 0.601 . . . . 0.0 110.596 177.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.21 -33.11 26.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.731 178.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -160.36 -38.1 0.05 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.788 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.51 125.1 28.81 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.725 -177.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.721 ' HA2' ' HG ' ' A' ' 59' ' ' LEU . . . 147.35 73.77 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 111.411 -0.675 . . . . 0.0 111.411 -177.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.463 ' HB3' ' H ' ' A' ' 57' ' ' SER . 3.1 t-20 -117.51 -98.07 0.45 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.463 ' H ' ' HB3' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -79.95 -31.29 39.97 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.481 0.658 . . . . 0.0 109.896 175.638 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -142.25 149.58 39.79 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.531 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.721 ' HG ' ' HA2' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -130.28 110.03 11.23 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 174.848 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.1 mp -79.79 114.43 20.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.8 mt -80.95 133.67 28.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.279 -177.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -78.31 37.59 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 112.029 -177.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 62.85 -84.66 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 173.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.55 48.71 0.94 Allowed 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -166.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -134.74 -6.16 2.47 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.266 0.555 . . . . 0.0 109.946 172.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.9 t -88.68 135.47 33.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.474 172.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -79.36 -47.75 21.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 121.146 -0.222 . . . . 0.0 111.26 -174.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.837 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.515 -177.236 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.012 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.46 ' HA ' ' CA ' ' A' ' 41' ' ' GLY . . . -78.07 105.32 9.2 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.033 0.444 . . . . 0.0 110.145 -179.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.98 142.27 27.67 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.152 -176.096 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.48 124.82 39.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.583 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.49 ' O ' HG13 ' A' ' 5' ' ' ILE . 0.4 OUTLIER -94.8 143.33 11.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.365 178.849 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.424 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -109.48 -128.59 5.63 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.532 -177.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -79.39 73.59 5.95 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.987 2.458 . . . . 0.0 112.942 -175.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 69.78 104.43 0.06 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.349 177.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.39 -2.7 58.51 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.276 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 m -102.14 52.97 0.81 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.243 0.544 . . . . 0.0 111.133 -176.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.72 53.33 0.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.305 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.8 mm -109.29 -37.26 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.284 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.0 t70 175.64 -147.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -175.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -81.01 68.61 7.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.603 0.716 . . . . 0.0 109.548 172.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.651 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . 29.4 m-85 -121.88 137.81 54.64 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.575 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.454 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -98.97 138.94 20.71 Favored Pre-proline 0 C--N 1.32 -0.715 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 -178.416 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 4.8 Cg_exo -77.97 119.3 4.66 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 123.057 2.505 . . . . 0.0 112.189 -176.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.434 ' CD1' ' HA ' ' A' ' 33' ' ' VAL . 66.5 m-85 -130.22 141.0 50.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.878 177.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.4 m -92.16 99.9 12.62 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.122 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.563 ' SG ' HD12 ' A' ' 29' ' ' LEU . 1.3 m -88.65 123.82 33.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.917 -176.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.856 ' HB2' ' HZ ' ' A' ' 58' ' ' PHE . 27.0 mt-30 -91.43 115.61 28.17 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 172.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.9 m -79.34 117.78 20.64 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.89 -178.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.415 ' HB2' ' O ' ' A' ' 28' ' ' SER . 1.1 mpp? -79.83 69.59 6.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.252 -175.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.473 ' HB2' ' H ' ' A' ' 25' ' ' GLY . 0.7 OUTLIER 45.91 -107.2 0.14 Allowed 'General case' 0 C--O 1.237 0.442 0 O-C-N 123.998 0.811 . . . . 0.0 111.829 176.201 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.473 ' H ' ' HB2' ' A' ' 24' ' ' SER . . . -127.87 29.97 4.05 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.497 -178.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.62 -2.83 58.83 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.647 -0.325 . . . . 0.0 110.806 177.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 62.64 33.56 15.61 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.813 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' A' ' 23' ' ' MET . 0.3 OUTLIER -135.82 156.67 48.43 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.458 178.246 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.563 HD12 ' SG ' ' A' ' 20' ' ' CYS . 1.1 pt? -156.09 163.12 40.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.794 0.331 . . . . 0.0 110.739 -178.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.502 ' O ' ' HA ' ' A' ' 20' ' ' CYS . . . -141.47 140.33 10.16 Favored Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 18' ' ' TYR . 0.1 OUTLIER -120.57 115.16 22.87 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.008 0.432 . . . . 0.0 110.765 -173.663 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.02 155.23 3.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 175.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.434 ' HA ' ' CD1' ' A' ' 18' ' ' TYR . 13.7 p -63.79 124.57 18.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.405 0.621 . . . . 0.0 111.686 -174.096 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.29 73.9 0.32 Allowed Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.56 178.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -78.14 168.45 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.424 HG22 ' O ' ' A' ' 6' ' ' GLY . 1.3 pt -59.83 132.2 24.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.217 0.532 . . . . 0.0 111.221 -177.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.05 23.75 47.62 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.796 -0.716 . . . . 0.0 113.017 178.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.3 m -96.17 149.3 21.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.047 0.451 . . . . 0.0 110.934 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -108.42 99.03 8.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.857 178.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 68.5 m -114.77 113.59 24.46 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.166 0.508 . . . . 0.0 111.17 -176.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.46 ' CA ' ' HA ' ' A' ' 2' ' ' ALA . . . -98.57 52.71 1.16 Allowed Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.645 176.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -149.65 -173.75 4.49 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 -177.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.09 88.38 2.42 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.911 0.386 . . . . 0.0 111.172 -179.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.5 t -66.73 127.79 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 176.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.478 ' HB3' ' SG ' ' A' ' 66' ' ' CYS . 0.5 OUTLIER -135.19 170.98 15.08 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.076 0.465 . . . . 0.0 110.935 -176.31 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.651 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 97.6 m -111.11 109.72 19.92 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.288 -179.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.748 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 0.6 OUTLIER -112.65 139.47 48.23 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.161 0.505 . . . . 0.0 110.816 -178.829 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -102.01 35.04 2.48 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 174.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -77.34 156.89 30.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.347 -175.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -87.38 -16.27 35.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.691 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.1 t 60.71 46.32 0.27 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.142 0 CA-C-O 121.825 0.821 . . . . 0.0 110.293 -178.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.28 4.41 54.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.58 176.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -79.92 144.94 32.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.792 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.45 108.98 13.4 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.639 -178.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -147.82 131.69 3.96 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.878 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -80.4 -48.43 12.91 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.068 0.461 . . . . 0.0 110.468 178.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.08 -62.97 1.19 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.522 177.211 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.856 ' HZ ' ' HB2' ' A' ' 21' ' ' GLN . 1.1 t80 -84.28 114.29 21.74 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.395 178.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.92 128.77 54.0 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.069 178.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.6 mp -85.78 123.29 39.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -111.26 135.74 49.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.857 -178.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -61.14 137.23 58.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.219 -178.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.71 -9.72 55.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.834 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.45 -11.49 54.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.447 175.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -107.6 -33.32 7.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.856 -178.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.748 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 1.9 t -94.53 130.97 40.73 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 174.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.517 HG22 ' O ' ' A' ' 46' ' ' CYS . 29.0 m -88.16 171.29 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.21 0.529 . . . . 0.0 111.888 -174.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.077 -0.963 . . . . 0.0 109.91 179.066 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.474 0.763 0 CA-C-O 120.789 0.328 . . . . 0.0 110.806 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.534 ' HB1' ' HG3' ' A' ' 39' ' ' GLN . . . -114.74 91.74 3.72 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.047 0.451 . . . . 0.0 110.35 178.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.64 138.4 37.39 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.588 -176.003 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.02 89.41 7.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.015 0.436 . . . . 0.0 110.66 178.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.402 HG22 ' H ' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -79.72 117.78 26.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 178.215 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.409 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -98.11 -138.48 10.23 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.669 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -77.79 73.26 5.74 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.984 2.456 . . . . 0.0 111.179 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 51.6 t30 73.99 113.88 0.06 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.954 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.2 m -88.01 -15.47 36.33 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.556 177.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 56.9 m -109.1 74.74 0.92 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.722 -177.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.28 54.03 1.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.964 0.411 . . . . 0.0 110.818 178.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.2 mt -127.09 102.28 9.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.443 -178.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.6 t70 58.98 -105.4 0.25 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.047 177.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -134.02 33.74 3.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.864 0.84 . . . . 0.0 109.967 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.477 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . 0.1 OUTLIER -83.47 115.14 21.93 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.188 178.176 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -85.82 139.92 35.28 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.219 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_endo -79.88 133.04 9.95 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 122.625 2.217 . . . . 0.0 111.921 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.656 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 86.3 m-85 -132.55 128.69 37.81 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.76 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 29.8 m -81.99 103.22 11.47 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 177.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.635 ' SG ' ' HB3' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -100.45 130.82 46.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.932 -0.577 . . . . 0.0 112.019 -172.631 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -80.61 152.81 28.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.163 177.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.36 85.67 5.81 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.087 0.47 . . . . 0.0 111.905 -175.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.14 -71.51 0.6 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.024 0.44 . . . . 0.0 110.037 174.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.3 p -152.58 -60.6 0.15 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.269 0.557 . . . . 0.0 109.999 178.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.57 ' HA2' HD21 ' A' ' 29' ' ' LEU . . . 101.46 -8.28 56.7 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.57 -177.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.73 31.64 6.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.199 0.523 . . . . 0.0 110.476 -179.23 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -162.99 -63.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.338 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.0 m -152.67 151.17 30.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.415 177.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.635 ' HB3' ' SG ' ' A' ' 20' ' ' CYS . 0.6 OUTLIER -119.55 128.22 53.72 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.729 0.3 . . . . 0.0 110.251 179.379 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -95.83 88.81 1.08 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.707 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.656 ' HB2' ' HB3' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -125.53 117.08 22.83 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.08 0.467 . . . . 0.0 111.2 -176.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.595 HG13 ' HB2' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -86.91 163.04 2.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.693 175.074 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.6 p -61.1 135.95 25.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.895 0.379 . . . . 0.0 110.907 -177.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.77 116.75 9.8 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.238 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -79.5 115.99 22.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 120.901 0.381 . . . . 0.0 110.491 179.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 6' ' ' GLY . 0.8 OUTLIER -59.72 130.62 23.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.765 -175.804 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.67 31.81 60.09 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.575 175.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m -129.91 158.45 39.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.063 0.459 . . . . 0.0 111.485 -177.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.534 ' HG3' ' HB1' ' A' ' 2' ' ' ALA . 5.6 tp60 -91.99 94.83 9.46 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.753 177.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -80.36 113.81 18.81 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.195 179.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' A' ' 2' ' ' ALA . . . -85.94 44.36 3.34 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.697 -178.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -153.87 157.97 40.08 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -176.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.416 ' HB2' ' HE2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -63.95 106.33 1.01 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.228 -178.5 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.5 t -78.97 122.06 33.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.752 0.31 . . . . 0.0 110.243 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' ' 43' ' ' SER . 1.5 mttt -122.15 167.09 13.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.919 179.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.477 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 4.1 m -105.69 112.62 25.77 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.119 0.485 . . . . 0.0 109.785 177.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 2.8 m -127.62 150.29 49.8 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.011 0.434 . . . . 0.0 111.359 -174.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.74 68.77 0.92 Allowed 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 173.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.6 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 1.9 t70 -90.8 -168.12 2.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.794 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -90.5 107.64 19.29 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 177.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.7 p -126.52 85.12 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.793 0.806 . . . . 0.0 111.214 -176.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.7 m -85.88 -22.33 27.56 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.573 0.702 . . . . 0.0 109.742 172.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -160.33 -155.91 0.46 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.104 177.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.68 17.31 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.816 0.341 . . . . 0.0 111.319 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.98 -107.41 2.12 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -174.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.448 ' HB3' ' H ' ' A' ' 57' ' ' SER . 9.1 t-20 -108.94 -88.09 0.49 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 174.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.448 ' H ' ' HB3' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -101.49 -22.29 14.56 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.552 0.691 . . . . 0.0 109.316 171.284 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.595 ' HB2' HG13 ' A' ' 32' ' ' VAL . 3.6 p90 -160.58 173.84 14.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.743 -1.117 . . . . 0.0 108.488 178.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 mt -103.74 142.53 34.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.087 0.47 . . . . 0.0 111.913 -174.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.7 mt -114.0 120.83 64.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.3 175.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.484 HG23 ' HB2' ' A' ' 49' ' ' ASP . 22.2 mt -115.41 153.04 16.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.799 -174.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -96.5 148.67 22.58 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.207 176.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.65 7.06 9.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.862 0.363 . . . . 0.0 111.527 -177.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -90.43 -36.82 14.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.136 0.493 . . . . 0.0 110.983 178.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.6 ' ND2' ' HA ' ' A' ' 49' ' ' ASP . 10.6 p-10 -103.9 -11.73 17.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.216 0.531 . . . . 0.0 110.776 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 53.3 t -102.07 147.16 26.93 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.653 170.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.5 m -100.36 101.67 12.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.396 0.617 . . . . 0.0 110.253 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.166 0 CA-C-O 118.606 -0.711 . . . . 0.0 110.387 -178.812 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.475 0.8 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.56 93.18 5.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.857 0.36 . . . . 0.0 110.391 177.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.16 131.06 38.09 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.755 -178.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.638 ' HA ' ' HA ' ' A' ' 39' ' ' GLN . 1.3 m -91.44 129.98 37.35 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.969 -176.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.42 ' O ' HG13 ' A' ' 5' ' ' ILE . 3.8 pt -114.13 144.37 21.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.072 177.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -88.16 -150.22 19.91 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.556 -0.83 . . . . 0.0 111.862 177.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.875 ' HA ' HG23 ' A' ' 36' ' ' ILE . 6.0 Cg_exo -79.55 -5.56 14.16 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 123.074 2.516 . . . . 0.0 112.183 177.358 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -161.48 104.24 1.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.112 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.45 -15.39 17.18 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 179.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.8 m -123.98 76.81 1.48 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.93 0.395 . . . . 0.0 111.081 -175.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.24 61.51 4.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.171 0.51 . . . . 0.0 111.256 -178.109 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.1 mt -116.75 -56.44 3.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.775 178.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -172.82 -134.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.066 178.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -79.52 66.43 4.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.629 0.728 . . . . 0.0 110.126 177.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -122.52 121.39 36.44 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.009 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.27 135.91 26.32 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.612 -175.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -79.4 101.76 1.44 Allowed 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 122.598 2.199 . . . . 0.0 111.41 177.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -101.58 131.89 47.54 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.059 -176.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.401 ' HB3' ' HB3' ' A' ' 40' ' ' CYS . 2.8 m -79.54 97.18 6.35 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.561 175.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -104.13 117.4 34.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.22 0.533 . . . . 0.0 111.83 -173.803 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.478 ' HG2' ' H ' ' A' ' 21' ' ' GLN . 1.5 mm-40 -81.33 116.19 21.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.28 175.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.56 148.05 31.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.9 0.381 . . . . 0.0 110.603 -177.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.415 ' HB3' ' H ' ' A' ' 24' ' ' SER . 2.4 mtt -113.09 -153.32 0.52 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.67 -177.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.415 ' H ' ' HB3' ' A' ' 23' ' ' MET . 0.0 OUTLIER -88.1 -144.45 0.13 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.276 -179.767 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.412 ' H ' ' HB2' ' A' ' 24' ' ' SER . . . -76.86 61.59 3.32 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.506 178.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.39 147.44 49.17 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.592 0.234 . . . . 0.0 110.656 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.41 42.63 1.01 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.323 0.583 . . . . 0.0 110.015 177.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -133.79 148.44 51.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.072 -178.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 29' ' ' LEU . 1.0 OUTLIER -126.28 -175.91 3.51 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 177.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.434 ' O ' ' HA ' ' A' ' 20' ' ' CYS . . . -149.31 78.37 0.22 Allowed Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -176.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 1.4 m -94.91 143.64 26.3 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.466 0.65 . . . . 0.0 111.794 -172.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -130.52 156.72 42.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 170.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.2 p -65.57 135.41 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.583 0.23 . . . . 0.0 110.542 -177.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.53 130.23 47.76 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.589 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.487 ' HB ' ' HB2' ' A' ' 38' ' ' SER . 0.2 OUTLIER -69.79 -20.14 23.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.83 -0.185 . . . . 0.0 111.299 -177.454 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.875 HG23 ' HA ' ' A' ' 7' ' ' PRO . 49.2 mm 67.82 104.36 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 O-C-N 123.553 0.533 . . . . 0.0 111.154 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.48 22.89 57.73 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.933 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.487 ' HB2' ' HB ' ' A' ' 35' ' ' VAL . 3.4 m -148.75 173.52 13.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.77 0.319 . . . . 0.0 110.413 -177.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.638 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 1.9 mp0 -80.24 138.68 36.85 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.423 -179.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.401 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 1.2 m -87.19 -15.61 37.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.029 0.443 . . . . 0.0 110.848 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.72 -13.81 40.31 Favored Glycine 0 CA--C 1.519 0.287 0 CA-C-N 115.927 -0.579 . . . . 0.0 113.439 175.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -159.72 -162.25 1.0 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.764 0.282 . . . . 0.0 110.719 -178.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.96 126.95 29.81 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 123.569 0.543 . . . . 0.0 111.838 -177.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.7 t -86.95 102.35 12.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.091 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.43 ' HD2' ' HA ' ' A' ' 45' ' ' LYS . 26.7 mmmt -91.58 128.82 37.56 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.904 -176.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 96.2 m -92.65 83.35 4.86 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 174.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.677 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 0.6 OUTLIER -108.11 148.33 29.97 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.741 -171.861 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.57 -48.98 5.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.099 174.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.609 ' H ' ' HB2' ' A' ' 65' ' ' ASN . 37.8 t70 54.38 -111.06 0.59 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 114.547 -1.206 . . . . 0.0 110.022 -177.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -171.69 -34.09 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 50.7 t 69.17 115.91 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.231 0.12 0 CA-C-N 114.907 -1.042 . . . . 0.0 112.037 172.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 10.1 t -79.21 151.85 30.98 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 174.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -79.45 -9.28 59.57 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.059 0.457 . . . . 0.0 111.006 -175.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -88.17 120.67 29.74 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.367 176.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -76.96 157.04 46.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.804 -177.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -159.87 168.48 25.67 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.76 -12.64 59.77 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.842 0.353 . . . . 0.0 110.733 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -136.96 134.99 37.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.814 -178.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.4 mt -117.53 93.08 4.02 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 176.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.8 mt -79.7 72.08 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.126 0.489 . . . . 0.0 111.57 -173.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.41 HD12 ' HB2' ' A' ' 31' ' ' CYS . 2.3 mt -84.11 152.67 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.72 175.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -101.14 160.28 14.52 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 178.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.02 51.95 1.02 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.241 0.544 . . . . 0.0 111.011 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -114.37 -44.63 3.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.255 -177.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.609 ' HB2' ' H ' ' A' ' 49' ' ' ASP . 0.3 OUTLIER -103.31 14.89 30.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.96 -176.248 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.677 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -105.51 122.15 45.41 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.037 177.661 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.4 m -78.98 -19.08 12.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.885 0.374 . . . . 0.0 111.16 -175.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.857 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.492 ' O ' ' HA2' ' A' ' 41' ' ' GLY . 0.2 OUTLIER . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.52 87.35 4.38 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.066 0.46 . . . . 0.0 110.357 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.18 128.76 33.7 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.475 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.38 119.23 36.7 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.246 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.514 ' HB ' ' OG1' ' A' ' 9' ' ' THR . 8.8 pt -104.07 162.58 4.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.503 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -93.74 -144.11 14.81 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.827 -0.702 . . . . 0.0 111.913 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.62 ' HA ' HG12 ' A' ' 36' ' ' ILE . 4.7 Cg_exo -78.42 -32.8 2.1 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.449 2.099 . . . . 0.0 111.164 175.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -145.45 123.25 11.92 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 172.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.514 ' OG1' ' HB ' ' A' ' 5' ' ' ILE . 0.3 OUTLIER -125.64 44.48 2.82 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.438 0.637 . . . . 0.0 110.849 179.253 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.7 t -159.54 79.7 0.73 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.041 179.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.31 39.58 2.15 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.177 0.513 . . . . 0.0 110.799 -179.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.4 mm -78.75 -52.57 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.246 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -170.97 -125.0 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.394 -0.821 . . . . 0.0 108.952 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -93.9 67.09 3.71 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.295 0.569 . . . . 0.0 109.635 174.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -132.18 153.78 50.21 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.006 178.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.0 mttm -112.42 146.24 34.54 Favored Pre-proline 0 C--N 1.32 -0.698 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -78.7 98.89 1.22 Allowed 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 122.476 2.117 . . . . 0.0 112.084 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.595 ' HB3' ' HB3' ' A' ' 31' ' ' CYS . 37.5 m-85 -107.86 116.17 31.47 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.428 -179.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.646 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 34.1 m -78.52 87.58 4.49 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 174.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.935 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 7.4 t -94.61 123.59 38.14 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.542 -169.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -83.37 99.33 9.98 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.664 176.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.37 103.85 8.58 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 175.079 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.86 ' HB2' ' HB2' ' A' ' 28' ' ' SER . 67.7 mtp -82.06 29.11 0.41 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.696 -173.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 35.74 78.54 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 O-C-N 124.299 1.0 . . . . 0.0 112.936 176.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 169.21 -123.27 1.07 Allowed Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 119.836 -1.173 . . . . 0.0 113.626 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.22 67.55 9.26 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -169.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 55.51 25.16 7.55 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.783 175.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.86 ' HB2' ' HB2' ' A' ' 23' ' ' MET . 0.4 OUTLIER -78.72 83.65 4.86 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.827 -177.342 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.567 ' HB3' ' SG ' ' A' ' 20' ' ' CYS . 8.0 mt -108.79 98.58 8.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.251 178.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.452 ' HA3' ' CZ ' ' A' ' 58' ' ' PHE . . . -97.09 87.74 0.92 Allowed Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 177.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.935 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -97.36 118.56 34.11 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.153 0.501 . . . . 0.0 111.251 -173.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.6 t -97.22 140.14 18.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.805 176.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.403 HG13 ' CE1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -62.97 124.7 18.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.011 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -76.32 123.02 6.65 Favored Glycine 0 N--CA 1.444 -0.795 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 176.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.51 ' HB ' ' H ' ' A' ' 36' ' ' ILE . 0.5 OUTLIER -94.82 -110.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.47 0.176 . . . . 0.0 110.7 -177.23 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.62 HG12 ' HA ' ' A' ' 7' ' ' PRO . 78.2 mt -134.76 110.79 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.72 0.295 . . . . 0.0 110.298 -178.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.12 32.42 60.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.761 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.97 139.73 35.64 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.24 0.543 . . . . 0.0 111.385 -178.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -91.34 99.13 12.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.208 175.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.509 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 66.5 m -97.8 110.69 23.21 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.065 -176.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.492 ' HA2' ' O ' ' A' ' 1' ' ' SER . . . -85.92 38.55 3.04 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 121.069 -0.586 . . . . 0.0 111.827 179.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -160.09 172.63 17.13 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 -176.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.03 109.58 4.62 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.148 0.499 . . . . 0.0 111.343 -177.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.646 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 2.1 p -77.25 107.29 8.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.387 0.613 . . . . 0.0 109.393 174.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.624 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . 2.9 mttt -112.94 157.75 21.08 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.692 -175.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 18.1 m -96.49 95.4 7.99 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.931 177.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 1.8 m -107.45 143.22 36.12 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.926 0.393 . . . . 0.0 110.955 -178.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.436 ' O ' ' HB2' ' A' ' 65' ' ' ASN . 0.1 OUTLIER -90.41 81.28 6.01 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 172.656 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -66.0 153.21 42.79 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.211 -175.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -102.68 -14.24 16.77 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.683 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.9 t 55.27 30.65 0.16 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.29 -2.26 58.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.943 176.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -105.24 110.09 22.33 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.184 -0.916 . . . . 0.0 108.556 173.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.39 69.45 5.63 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.185 0.517 . . . . 0.0 111.551 -174.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.507 ' HA3' ' O ' ' A' ' 58' ' ' PHE . . . -103.58 139.12 14.37 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.794 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -101.04 -49.62 4.05 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.846 0.355 . . . . 0.0 110.276 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.94 -2.87 24.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.007 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.507 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -156.3 129.36 7.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.279 -179.072 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.39 129.91 51.54 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 176.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 56.4 mt -102.88 108.48 24.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.21 0.529 . . . . 0.0 110.416 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.588 HD13 ' HB2' ' A' ' 31' ' ' CYS . 3.8 mp -107.08 143.12 18.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.943 -177.152 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -85.36 163.84 18.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.307 0.575 . . . . 0.0 111.451 -176.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.24 16.05 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.801 -175.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.94 -45.31 5.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.954 0.407 . . . . 0.0 110.338 176.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.444 HD21 HG23 ' A' ' 61' ' ' ILE . 15.7 p-10 -86.25 -19.36 30.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.702 178.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 18.5 t -97.22 134.73 40.14 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 170.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.9 m -105.25 39.83 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -173.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.624 ' HB3' ' HB3' ' A' ' 45' ' ' LYS . . . . . . . . 0 C--O 1.245 0.841 0 CA-C-O 118.637 -0.697 . . . . 0.0 110.51 178.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.461 ' HB2' ' H ' ' A' ' 2' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.474 0.737 0 CA-C-O 120.556 0.217 . . . . 0.0 110.569 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.461 ' H ' ' HB2' ' A' ' 1' ' ' SER . . . -96.76 109.42 22.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.982 0.42 . . . . 0.0 111.019 -178.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.89 -21.28 44.2 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.546 178.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.801 HG23 ' HG3' ' A' ' 39' ' ' GLN . 19.2 m 72.18 123.64 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.597 -178.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.572 ' H ' ' HA ' ' A' ' 39' ' ' GLN . 0.7 OUTLIER -108.82 101.27 12.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-O 121.55 0.691 . . . . 0.0 110.485 178.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.15 -155.29 29.54 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.646 175.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -81.99 8.75 4.29 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.727 2.285 . . . . 0.0 113.346 -176.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -153.39 38.52 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.887 0.375 . . . . 0.0 111.926 -178.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.68 -64.68 1.13 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.003 0.43 . . . . 0.0 110.104 173.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -128.9 56.66 1.66 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.383 0.611 . . . . 0.0 109.544 177.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -121.03 53.26 1.15 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.223 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.0 mm -73.01 -63.81 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.705 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -146.92 -107.55 0.09 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.921 -178.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -84.91 2.55 42.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.53 0.681 . . . . 0.0 109.978 174.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -78.66 112.93 16.26 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 173.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -83.49 159.62 61.01 Favored Pre-proline 0 C--N 1.318 -0.79 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.707 -175.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.571 ' HB3' HD11 ' A' ' 5' ' ' ILE . 3.7 Cg_exo -78.63 103.93 1.74 Allowed 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 122.456 2.104 . . . . 0.0 110.96 178.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.805 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 11.9 m-85 -115.05 124.7 52.26 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.589 -174.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 23.7 m -94.75 100.19 12.15 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 171.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.512 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -92.18 132.52 36.58 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.362 0.601 . . . . 0.0 111.952 -171.858 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -86.95 80.63 8.37 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 171.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.463 ' HA ' ' HB3' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -77.94 118.56 20.36 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.53 -174.703 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.7 mtt -91.39 -179.64 5.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.933 -175.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.95 25.74 2.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.19 -3.28 26.85 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.781 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.99 -59.04 5.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.842 0.353 . . . . 0.0 111.412 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -141.92 41.88 1.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 176.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.2 m 59.32 -102.68 0.15 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.19 -177.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.463 ' HB3' ' HA ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -149.14 131.09 15.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.086 0.47 . . . . 0.0 111.078 -178.9 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -104.42 118.46 5.95 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 175.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.805 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 0.1 OUTLIER -100.78 141.8 33.14 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.179 0.514 . . . . 0.0 111.877 -172.207 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 57' ' ' SER . 1.7 t -116.98 153.49 18.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.352 -0.84 . . . . 0.0 108.961 172.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.5 t -69.45 110.24 2.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.829 0.347 . . . . 0.0 110.498 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.66 101.9 1.7 Allowed Glycine 0 N--CA 1.443 -0.836 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.925 -178.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -68.56 125.25 25.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 120.721 0.296 . . . . 0.0 110.554 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.2 mt -56.38 123.78 8.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.163 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.88 -8.77 54.64 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.855 176.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.38 -1.81 46.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 117.035 0.418 . . . . 0.0 111.647 -176.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.801 ' HG3' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER 67.61 146.29 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.697 0.623 . . . . 0.0 111.35 -178.781 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 4.9 t -109.02 120.18 41.78 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 177.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -99.8 19.55 52.91 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.194 -178.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.45 -152.27 0.4 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.21 118.87 30.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.862 0.363 . . . . 0.0 110.751 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.5 t -79.25 109.17 13.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 177.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.437 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 7.7 mmmt -103.53 122.56 45.2 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.955 0.407 . . . . 0.0 110.67 -176.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.6 m -84.5 90.77 7.7 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.951 179.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.531 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 4.1 m -124.16 158.25 32.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.617 -176.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 tttm -102.38 -47.9 4.34 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 174.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.787 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 2.9 t70 49.89 -139.38 0.86 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.147 -1.388 . . . . 0.0 111.226 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -143.78 89.64 2.07 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.117 0.484 . . . . 0.0 110.477 176.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -86.14 76.79 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.044 177.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.18 -18.32 55.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.093 -177.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -91.11 138.59 31.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.108 178.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.27 56.58 2.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.369 0.604 . . . . 0.0 110.905 -178.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 119.21 88.03 1.13 Allowed Glycine 0 N--CA 1.445 -0.717 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.398 -177.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -112.19 153.55 26.89 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.439 ' O ' HG13 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -88.48 -73.83 0.48 Allowed 'General case' 0 N--CA 1.444 -0.736 0 CA-C-O 120.946 0.403 . . . . 0.0 110.114 -179.912 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -104.95 118.83 37.51 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 121.115 0.484 . . . . 0.0 111.328 -176.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.69 119.17 28.21 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.506 174.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -85.71 132.71 31.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.566 HG22 ' H ' ' A' ' 63' ' ' ALA . 25.0 mt -104.7 136.85 36.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -175.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.39 17.61 0.82 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.07 177.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.566 ' H ' HG22 ' A' ' 61' ' ' ILE . . . 72.79 -38.39 0.42 Allowed 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.881 0.872 . . . . 0.0 113.055 174.003 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.94 8.22 5.94 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -175.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.787 ' ND2' ' HA ' ' A' ' 49' ' ' ASP . 2.3 m-20 -105.02 2.51 29.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.517 0.675 . . . . 0.0 110.487 179.162 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.531 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 13.0 m -109.21 159.33 17.01 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.738 178.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -98.2 -9.59 8.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.052 0.453 . . . . 0.0 110.397 175.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.941 0 CA-C-O 117.632 -1.175 . . . . 0.0 108.766 179.705 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.829 0 CA-C-O 120.753 0.311 . . . . 0.0 110.45 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.7 97.59 7.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.532 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.04 134.03 36.18 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.639 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -87.88 104.58 16.74 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 172.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.747 ' HB ' HG21 ' A' ' 9' ' ' THR . 4.4 pt -84.62 139.17 17.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.279 0.562 . . . . 0.0 111.665 -172.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.8 -164.46 27.0 Favored Glycine 0 N--CA 1.444 -0.823 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 173.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.715 ' HA ' HD12 ' A' ' 36' ' ' ILE . 3.5 Cg_exo -78.16 -29.27 4.19 Favored 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 122.663 2.242 . . . . 0.0 112.215 -178.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -100.98 43.15 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.581 -175.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.747 HG21 ' HB ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -78.98 -58.97 2.97 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.014 -178.777 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 97.0 m -106.25 62.87 0.65 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.05 0.452 . . . . 0.0 110.33 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.55 85.02 3.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.299 0.571 . . . . 0.0 111.24 -178.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mt -131.36 -52.01 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.575 0.702 . . . . 0.0 109.271 175.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -162.49 -142.93 0.08 Allowed 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 178.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -79.79 63.65 4.41 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 171.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -109.21 116.67 32.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.169 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.77 132.99 56.09 Favored Pre-proline 0 C--N 1.316 -0.872 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.567 -174.316 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -78.08 98.21 1.19 Allowed 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 122.724 2.283 . . . . 0.0 110.862 176.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.495 ' CD2' ' HB3' ' A' ' 47' ' ' CYS . 37.1 m-85 -93.42 129.89 39.41 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.878 -175.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 64.6 m -81.23 101.88 10.0 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.313 174.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.572 ' SG ' ' HB2' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -100.84 128.32 46.93 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.208 0.528 . . . . 0.0 111.596 -174.206 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.9 129.8 40.49 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.406 -0.816 . . . . 0.0 108.919 171.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.22 79.07 4.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.312 0.577 . . . . 0.0 110.634 -177.087 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -78.22 99.89 6.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.081 -178.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.41 108.2 17.75 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.483 -176.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.58 -10.99 11.3 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.658 -176.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.65 142.18 50.39 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.38 -38.9 29.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.932 0.396 . . . . 0.0 110.779 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.0 104.79 7.69 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.569 178.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.572 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -89.19 144.66 25.95 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.974 0.416 . . . . 0.0 110.119 178.043 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.726 ' HA3' ' HE2' ' A' ' 58' ' ' PHE . . . -83.65 101.44 2.37 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.933 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.472 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 0.8 OUTLIER -106.47 111.01 23.39 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.859 0.361 . . . . 0.0 110.672 -176.003 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.746 HG13 ' HB2' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -101.67 135.24 39.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 176.554 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.3 p -58.17 125.85 14.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.165 0.507 . . . . 0.0 111.827 -174.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.54 133.75 30.29 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.633 176.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.405 ' O ' ' HB ' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -89.17 -0.76 8.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.608 0.242 . . . . 0.0 111.344 -175.52 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.715 HD12 ' HA ' ' A' ' 7' ' ' PRO . 44.1 mm 71.84 113.32 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.713 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.19 18.63 52.97 Favored Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 -174.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.19 162.57 18.01 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.354 -0.423 . . . . 0.0 110.591 -177.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.493 ' H ' ' HG2' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -92.08 122.07 34.23 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 175.783 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.416 ' SG ' HG21 ' A' ' 5' ' ' ILE . 0.8 OUTLIER -72.92 -16.12 61.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.723 -175.544 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.77 -49.16 4.19 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.973 176.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -134.94 -120.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.71 0.29 . . . . 0.0 111.404 -178.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.39 123.21 32.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.03 0.443 . . . . 0.0 111.571 -174.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.2 t -83.16 124.93 39.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.917 175.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -117.44 130.19 56.31 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.94 0.4 . . . . 0.0 111.17 -178.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 72.6 m -85.5 93.4 8.77 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 174.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.761 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 3.7 t -115.83 151.78 34.6 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.772 -170.356 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.26 41.62 1.39 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.654 174.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -65.57 136.64 56.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.556 178.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.52 77.53 4.39 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.401 ' H ' HG22 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -34.47 109.47 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 O-C-N 124.556 1.16 . . . . 0.0 112.466 -178.448 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.21 172.44 7.07 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.797 -176.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.47 -3.65 47.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.983 0.421 . . . . 0.0 111.293 -178.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.85 -8.34 58.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.816 -175.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -75.01 128.24 9.87 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.587 -0.816 . . . . 0.0 111.922 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.433 ' HB3' ' H ' ' A' ' 57' ' ' SER . 33.5 t30 -82.3 -97.49 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.602 0.239 . . . . 0.0 110.4 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.433 ' H ' ' HB3' ' A' ' 56' ' ' ASN . 1.0 OUTLIER -84.12 -39.95 18.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.0 0.429 . . . . 0.0 110.378 177.365 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.746 ' HB2' HG13 ' A' ' 32' ' ' VAL . 1.0 OUTLIER -153.13 156.66 39.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.116 179.367 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.81 102.91 15.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.226 0.536 . . . . 0.0 111.796 -173.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.465 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -86.39 93.32 3.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 174.474 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -88.87 172.28 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.155 0.503 . . . . 0.0 112.05 -172.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.96 -2.92 57.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.581 -176.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 74.0 -20.96 0.29 Allowed 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 172.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.67 -3.56 44.7 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -173.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -97.63 -14.42 20.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.21 0.528 . . . . 0.0 110.612 178.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.761 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 1.9 m -80.98 149.17 29.44 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.547 173.142 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.1 m -100.49 -18.78 6.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-O 121.08 0.467 . . . . 0.0 110.849 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.486 178.874 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.476 0.872 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.511 ' HA ' ' HA2' ' A' ' 41' ' ' GLY . . . -78.73 103.16 8.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.946 0.403 . . . . 0.0 110.401 179.112 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.32 128.55 46.36 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.708 -179.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.47 93.61 9.6 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.347 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -72.82 141.42 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.178 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -109.68 -122.96 4.58 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.535 -0.84 . . . . 0.0 111.961 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -78.47 78.23 3.72 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.705 2.27 . . . . 0.0 112.613 -178.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.502 ' OD1' ' HD3' ' A' ' 17' ' ' PRO . 22.1 t-20 59.1 87.25 0.08 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.927 174.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.29 -7.72 58.51 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.486 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.418 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . 44.1 m -134.2 51.08 2.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.578 -178.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.8 -56.48 6.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.757 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.411 ' HB ' ' CD1' ' A' ' 15' ' ' TYR . 5.0 mt 45.82 -106.41 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.372 -177.291 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -92.18 -77.32 0.44 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 178.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -140.26 50.58 1.7 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.952 0.882 . . . . 0.0 108.968 171.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.411 ' CD1' ' HB ' ' A' ' 12' ' ' ILE . 85.8 m-85 -98.14 171.0 8.51 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.951 -176.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.38 152.4 73.15 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.195 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.502 ' HD3' ' OD1' ' A' ' 8' ' ' ASN . 74.2 Cg_endo -79.93 114.57 3.17 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.562 2.174 . . . . 0.0 112.019 178.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.697 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 49.4 m-85 -125.26 113.98 18.34 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.431 -178.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -79.93 113.06 17.8 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 175.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.497 ' O ' ' HB1' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -109.97 147.27 33.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.159 0.504 . . . . 0.0 112.299 -172.51 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.406 ' HB2' ' H ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -118.18 -154.63 0.57 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.364 -0.834 . . . . 0.0 108.949 174.268 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.406 ' H ' ' HB2' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -126.79 135.51 51.14 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.609 0.242 . . . . 0.0 110.833 -179.624 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' A' ' 29' ' ' LEU . 30.6 mmt -94.74 134.55 37.22 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 176.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.57 -62.18 1.71 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.704 -175.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.67 -37.31 6.52 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.664 -176.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.87 137.33 40.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.792 0.329 . . . . 0.0 110.699 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.45 71.25 9.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.077 0.465 . . . . 0.0 110.835 -179.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.2 m -161.09 179.77 8.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.916 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.439 ' O ' ' HG2' ' A' ' 23' ' ' MET . 1.0 OUTLIER -98.19 -69.24 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.036 0.446 . . . . 0.0 110.897 -178.87 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.704 ' HA2' ' HA ' ' A' ' 60' ' ' ILE . . . 107.7 95.35 2.39 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -176.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.697 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 0.8 OUTLIER -114.57 152.63 31.46 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.886 0.374 . . . . 0.0 111.289 -173.257 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.7 t -120.21 138.43 50.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 171.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.0 p -79.42 134.38 27.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.12 0.486 . . . . 0.0 110.935 -177.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.33 118.6 13.19 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.932 176.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.495 ' O ' ' HB ' ' A' ' 36' ' ' ILE . 0.6 OUTLIER -90.0 0.75 8.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 120.685 0.279 . . . . 0.0 110.712 -176.846 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.495 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 64.1 mt 77.35 113.88 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.995 -177.01 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.19 20.7 54.49 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 -175.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.31 130.25 54.19 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.925 0.393 . . . . 0.0 111.327 -175.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.16 93.03 9.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.445 178.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.455 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 99.1 m -79.92 117.33 20.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.109 178.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.511 ' HA2' ' HA ' ' A' ' 2' ' ' ALA . . . -79.06 -28.02 54.87 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.663 -0.779 . . . . 0.0 111.199 177.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.497 ' HB1' ' O ' ' A' ' 20' ' ' CYS . . . -79.53 154.37 28.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.54 -0.33 . . . . 0.0 110.143 176.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.51 123.1 15.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.966 0.412 . . . . 0.0 111.341 -176.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.466 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 3.9 t -76.39 121.83 29.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.785 -178.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.419 ' HG3' ' HB2' ' A' ' 20' ' ' CYS . 0.4 OUTLIER -116.56 154.5 30.34 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.272 178.75 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.573 ' HB2' ' HB3' ' A' ' 68' ' ' ALA . 2.8 m -103.11 97.34 7.45 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.159 0.504 . . . . 0.0 110.089 176.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.582 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 48.1 m -107.2 155.98 19.33 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.436 -178.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -88.07 -33.56 18.26 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 174.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.458 ' CG ' ' H ' ' A' ' 50' ' ' ASP . 4.9 t70 56.7 -156.44 0.29 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-N 114.729 -1.123 . . . . 0.0 111.084 -179.153 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.458 ' H ' ' CG ' ' A' ' 49' ' ' ASP . 7.6 t0 -144.12 57.84 1.34 Allowed 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 176.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.426 ' H ' HG22 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -58.13 123.2 9.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 114.858 -1.064 . . . . 0.0 111.707 -174.32 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.43 -32.17 11.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.488 178.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -157.88 -96.29 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.095 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.21 -35.34 9.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.086 0.47 . . . . 0.0 111.012 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 104.27 -140.37 14.93 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.093 -178.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.427 ' ND2' ' H ' ' A' ' 57' ' ' SER . 6.6 t-20 -150.28 171.39 17.03 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -176.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.427 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -77.64 -13.66 59.85 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.092 0.472 . . . . 0.0 110.538 -178.561 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -147.92 95.88 2.56 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.993 175.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.444 HD13 ' HE1' ' A' ' 18' ' ' TYR . 2.2 mp -90.53 92.84 9.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.869 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.704 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 2.6 mp -79.65 80.92 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.555 0.693 . . . . 0.0 110.391 -179.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.432 ' H ' HG13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -100.53 -167.48 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.732 178.63 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.85 165.93 21.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.207 179.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.5 23.81 0.39 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.846 -175.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.78 -27.71 40.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.827 -178.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.445 ' OD1' ' HB3' ' A' ' 47' ' ' CYS . 18.6 p30 -112.3 -7.96 13.96 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.154 0.502 . . . . 0.0 110.949 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.582 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 56.0 m -82.05 105.76 13.41 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.737 176.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -82.32 -15.28 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.311 0.577 . . . . 0.0 110.524 178.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.573 ' HB3' ' HB2' ' A' ' 46' ' ' CYS . . . . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.737 -0.649 . . . . 0.0 110.185 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.882 0 CA-C-O 121.023 0.44 . . . . 0.0 110.467 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.682 ' HA ' ' HA2' ' A' ' 41' ' ' GLY . . . -127.69 141.48 51.59 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.888 178.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.9 134.48 49.36 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.018 0.437 . . . . 0.0 111.037 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.575 HG23 ' HG2' ' A' ' 39' ' ' GLN . 0.2 OUTLIER -89.35 109.47 20.37 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.158 178.719 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.44 ' O ' HG13 ' A' ' 5' ' ' ILE . 1.0 OUTLIER -92.81 147.87 5.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.428 -179.541 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -116.91 -146.27 8.37 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.478 -177.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -80.78 -24.22 5.11 Favored 'Trans proline' 0 CA--C 1.529 0.236 0 C-N-CA 122.742 2.294 . . . . 0.0 112.997 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -126.13 43.84 2.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.121 0.486 . . . . 0.0 111.285 -175.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.474 ' HB ' ' HB3' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -79.65 2.62 21.85 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.134 0.492 . . . . 0.0 110.838 177.031 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.0 t -141.89 74.26 1.45 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.737 178.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.68 51.56 1.91 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.043 -179.251 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.7 mt -134.68 96.18 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.34 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 t70 57.38 -131.28 1.49 Allowed 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.147 175.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -109.74 55.16 0.64 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.626 0.726 . . . . 0.0 109.872 177.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -105.65 159.33 16.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.618 176.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.722 ' HE3' ' HG2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -114.6 150.74 44.42 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-O 120.66 0.266 . . . . 0.0 110.823 -174.873 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.474 ' HB3' ' HB ' ' A' ' 9' ' ' THR . 5.8 Cg_exo -78.75 110.71 2.85 Favored 'Trans proline' 0 N--CA 1.455 -0.766 0 C-N-CA 122.715 2.277 . . . . 0.0 110.964 177.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.875 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 19.7 m-85 -113.65 137.49 51.53 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.607 -175.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.455 ' HB3' ' HB3' ' A' ' 40' ' ' CYS . 4.0 m -103.96 86.46 2.59 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.341 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.76 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 3.9 m -96.16 135.33 38.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.986 -172.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -74.3 110.36 8.53 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 173.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -93.93 91.2 6.79 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.147 0.499 . . . . 0.0 110.207 -178.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.11 153.74 25.91 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.898 -178.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.7 m -87.25 141.78 28.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.691 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.23 -55.09 4.93 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.13 -178.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.8 132.74 34.8 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.986 0.422 . . . . 0.0 110.782 178.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -113.75 54.91 0.73 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.117 0.484 . . . . 0.0 110.525 -179.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.8 -22.62 18.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.399 -178.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.465 ' HB3' ' HB ' ' A' ' 61' ' ' ILE . 0.1 OUTLIER 53.07 69.49 0.69 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.0 0.429 . . . . 0.0 110.876 -177.655 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -74.53 94.84 0.86 Allowed Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.875 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 4.2 t -108.58 150.13 27.92 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -168.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.4 t -118.46 147.17 22.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.956 172.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.8 t -71.27 125.9 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.638 0.256 . . . . 0.0 111.033 -178.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -92.2 125.3 8.04 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.861 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -103.69 171.31 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.228 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.9 mp -63.34 109.02 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.827 0.346 . . . . 0.0 110.906 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.5 43.01 3.27 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.485 178.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.2 m -110.79 131.79 54.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.859 0.361 . . . . 0.0 110.877 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.575 ' HG2' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -97.42 71.33 2.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.026 -0.533 . . . . 0.0 109.761 179.47 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.455 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 30.0 m -71.16 120.52 16.85 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.009 -176.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.682 ' HA2' ' HA ' ' A' ' 2' ' ' ALA . . . -86.58 52.08 4.42 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.154 178.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -153.67 -160.59 1.13 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 -179.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.76 126.19 34.43 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.871 0.367 . . . . 0.0 110.707 179.195 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.2 t -79.67 118.28 26.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.38 151.93 37.67 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.23 0.538 . . . . 0.0 111.498 -174.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -108.52 98.04 7.62 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.325 175.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 50.5 m -133.79 163.15 30.13 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.079 0.466 . . . . 0.0 111.382 -175.031 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.722 ' HG2' ' HE3' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -114.87 -50.31 2.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.319 172.73 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.3 t70 50.5 -138.88 0.96 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.637 -175.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -135.88 100.65 4.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.893 0.378 . . . . 0.0 110.391 177.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.65 97.5 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.34 -179.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.26 -67.4 0.76 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.374 179.165 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -101.11 139.34 36.93 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 175.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.29 -9.41 59.22 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.268 0.556 . . . . 0.0 110.278 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -117.53 60.38 0.46 Allowed Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 174.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.648 HD22 ' HG ' ' A' ' 59' ' ' LEU . 3.5 t30 -105.7 111.12 23.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.894 0.378 . . . . 0.0 110.648 -178.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.33 -9.25 59.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.638 -177.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -152.94 107.44 3.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.876 0.37 . . . . 0.0 110.808 177.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.648 ' HG ' HD22 ' A' ' 56' ' ' ASN . 0.5 OUTLIER -106.38 125.04 50.51 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.057 178.762 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 22.5 mm -81.96 109.87 16.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 171.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.465 ' HB ' ' HB3' ' A' ' 29' ' ' LEU . 55.2 mt -99.84 138.34 24.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.229 0.537 . . . . 0.0 111.711 -171.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -79.49 126.0 30.29 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.37 173.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.44 -22.35 61.35 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -175.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.05 -13.61 59.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.445 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -98.4 18.19 17.09 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.404 0.621 . . . . 0.0 110.512 -177.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 97.3 m -114.5 161.25 18.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.066 175.109 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.2 t -79.37 -46.83 22.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.35 0.595 . . . . 0.0 109.703 175.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.948 0 CA-C-O 117.837 -1.078 . . . . 0.0 108.988 178.786 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.989 0 CA-C-O 120.646 0.26 . . . . 0.0 110.567 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -160.27 160.73 32.93 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.764 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.79 118.67 21.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.031 0.443 . . . . 0.0 110.525 177.198 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.1 93.3 7.74 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.833 -179.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.464 HG13 ' N ' ' A' ' 6' ' ' GLY . 0.0 OUTLIER -79.01 134.4 27.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.894 -174.763 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.464 ' N ' HG13 ' A' ' 5' ' ' ILE . . . -129.4 -160.26 10.15 Favored Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.403 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -82.56 5.65 6.26 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.744 2.296 . . . . 0.0 112.88 -177.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -143.15 30.68 1.41 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.758 0.313 . . . . 0.0 111.475 -176.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.2 m -79.47 -22.84 43.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.029 0.442 . . . . 0.0 110.744 176.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.507 ' HB2' ' HG3' ' A' ' 17' ' ' PRO . 1.2 m -122.38 -96.39 0.47 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.96 177.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 m 60.3 28.67 18.29 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 174.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.6 mt -70.57 -33.68 54.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.194 0.521 . . . . 0.0 109.724 176.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.436 ' C ' ' H ' ' A' ' 15' ' ' TYR . 23.5 t70 177.2 -124.96 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 114.986 -1.006 . . . . 0.0 108.624 178.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -80.64 20.95 0.69 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.788 0.804 . . . . 0.0 109.724 173.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.881 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . 86.2 m-85 -91.8 102.0 14.6 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.698 177.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -79.42 151.24 74.69 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.843 -178.854 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.507 ' HG3' ' HB2' ' A' ' 10' ' ' CYS . 5.8 Cg_exo -79.11 117.15 3.79 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 123.11 2.54 . . . . 0.0 112.048 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.487 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 47.4 m-85 -125.76 135.34 51.94 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.932 -178.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.2 93.01 8.56 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.644 177.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.696 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -81.97 109.94 16.78 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.296 0.569 . . . . 0.0 111.883 -173.324 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -81.68 112.1 18.56 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.812 172.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.2 m -79.37 104.58 10.08 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.14 142.53 31.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.094 -174.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.13 127.32 45.07 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.783 178.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.35 -57.36 3.9 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.251 -175.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.78 108.67 9.97 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 175.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.13 68.8 5.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.122 0.487 . . . . 0.0 110.891 -177.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 m -147.35 150.83 35.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.375 178.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 67.2 mt -96.74 112.03 23.95 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.33 -179.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.461 ' HA2' ' HE2' ' A' ' 58' ' ' PHE . . . -84.06 68.98 3.43 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 178.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.696 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -86.02 83.28 7.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.367 0.603 . . . . 0.0 110.42 -174.214 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.438 HG13 ' HB2' ' A' ' 58' ' ' PHE . 1.6 t -68.37 132.63 32.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.256 178.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.434 ' HA ' ' CD1' ' A' ' 18' ' ' TYR . 7.3 p -59.71 130.19 23.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-O 121.096 0.474 . . . . 0.0 110.672 -177.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.43 ' HA3' HD13 ' A' ' 5' ' ' ILE . . . -73.38 120.6 7.13 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.485 -177.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -90.1 124.51 42.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 177.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.4 mt -62.63 123.62 15.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.205 -178.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.73 39.19 7.2 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.145 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.91 159.18 42.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.909 0.385 . . . . 0.0 111.117 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -92.07 93.06 8.55 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 177.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.73 -64.02 1.09 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.411 -177.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.03 -45.16 1.71 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.953 -0.642 . . . . 0.0 111.97 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.52 -179.88 7.57 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.945 0.402 . . . . 0.0 111.086 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.18 98.91 4.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.148 -179.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.7 t -75.27 113.22 13.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.106 176.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.607 ' HD2' ' HB3' ' A' ' 66' ' ' CYS . 0.3 OUTLIER -125.55 173.46 8.93 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.038 179.777 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.881 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 35.8 m -99.96 132.93 45.02 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.982 0.42 . . . . 0.0 110.64 -178.112 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 36.3 m -129.63 139.21 51.49 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.547 178.473 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.78 48.12 1.59 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.627 0.727 . . . . 0.0 109.271 174.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.478 ' HB2' HG21 ' A' ' 61' ' ' ILE . 1.5 t70 -82.68 119.88 24.87 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 175.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.67 70.54 7.79 Favored 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 120.51 -0.476 . . . . 0.0 109.772 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 p -51.27 102.14 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 114.777 -1.101 . . . . 0.0 111.824 -177.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.29 -35.31 5.02 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.113 -0.949 . . . . 0.0 108.655 173.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -106.21 115.37 30.11 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 114.835 -1.075 . . . . 0.0 108.537 174.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.55 140.74 38.49 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.847 0.356 . . . . 0.0 111.101 -175.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -66.75 160.91 47.16 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.694 177.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -78.75 -58.61 3.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.697 0.284 . . . . 0.0 110.36 -176.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.76 -43.41 8.63 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.351 0.596 . . . . 0.0 109.873 174.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.461 ' HE2' ' HA2' ' A' ' 30' ' ' GLY . 23.3 p90 -160.17 -174.45 4.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.303 177.032 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.12 130.92 47.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.139 0.495 . . . . 0.0 111.476 -175.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.8 mp -123.94 99.71 6.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.284 175.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.478 HG21 ' HB2' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -102.45 -164.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.105 -175.571 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.467 ' H ' HG22 ' A' ' 61' ' ' ILE . 6.1 t-20 -99.39 161.13 13.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.077 -179.114 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.34 9.24 4.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.121 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.95 -28.8 13.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.285 176.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -77.34 -48.6 16.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.81 177.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.607 ' HB3' ' HD2' ' A' ' 45' ' ' LYS . 96.1 m -78.98 133.27 36.86 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.739 177.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.445 ' HB ' ' H ' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -101.66 -114.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.57 -0.287 . . . . 0.0 110.696 178.859 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.445 ' H ' ' HB ' ' A' ' 67' ' ' VAL . . . . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.51 -0.757 . . . . 0.0 111.372 -175.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.477 0.901 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.18 128.02 38.97 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 177.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.29 -39.28 33.29 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -174.306 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.5 m 56.54 72.39 0.51 Allowed 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.31 0.576 . . . . 0.0 110.356 -174.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.627 HD12 ' O ' ' A' ' 6' ' ' GLY . 1.8 pt -87.59 167.61 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.512 -175.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.627 ' O ' HD12 ' A' ' 5' ' ' ILE . . . -88.96 -173.93 46.65 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 110.576 -1.01 . . . . 0.0 110.576 171.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -78.15 9.45 3.07 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.205 1.937 . . . . 0.0 113.017 -175.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -169.93 84.98 0.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.708 178.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.4 -38.45 34.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.78 0.324 . . . . 0.0 111.527 179.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.413 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . 78.4 m -119.62 122.13 40.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.245 -179.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.07 40.59 1.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.087 0.47 . . . . 0.0 110.413 -178.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.5 mp -66.64 -52.48 45.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.555 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -157.93 -108.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.157 -178.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.4 -14.09 50.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.384 0.611 . . . . 0.0 109.822 176.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -79.85 114.32 18.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.987 -177.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.723 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 26.3 mmtm -100.88 176.76 1.75 Allowed Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.666 -179.046 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.723 ' HD2' ' HB3' ' A' ' 16' ' ' LYS . 60.8 Cg_endo -76.62 121.2 5.85 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 121.496 1.464 . . . . 0.0 111.868 178.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.765 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 2.6 m-85 -121.16 110.2 15.91 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.693 -176.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.4 ' HB3' ' HB2' ' A' ' 40' ' ' CYS . 67.3 m -79.9 97.33 6.67 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 175.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.633 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 4.3 m -94.01 113.68 25.71 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.941 -170.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.42 HE21 ' HB3' ' A' ' 21' ' ' GLN . 1.0 OUTLIER -86.3 105.32 16.58 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 172.319 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.83 124.41 27.95 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.629 -176.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 20.3 mmt -79.62 95.97 6.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.962 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.61 113.63 1.7 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.357 -177.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.11 -57.0 0.53 Allowed Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.916 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.28 -19.5 31.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.432 0.158 . . . . 0.0 111.38 -177.066 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 67.67 21.71 9.24 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.99 177.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.21 139.64 30.87 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 175.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.64 ' HB3' HG13 ' A' ' 61' ' ' ILE . 1.8 tp -96.76 98.19 9.94 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.919 0.39 . . . . 0.0 110.756 -178.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.54 75.65 2.35 Favored Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 110.603 -0.999 . . . . 0.0 110.603 177.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.765 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 0.3 OUTLIER -86.98 149.2 24.94 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.305 0.574 . . . . 0.0 112.034 -171.558 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.9 t -122.37 131.39 73.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.113 172.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.1 t -63.52 123.22 15.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.737 0.304 . . . . 0.0 110.303 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.49 134.38 19.23 Favored Glycine 0 N--CA 1.442 -0.929 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.891 -178.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.52 ' HB ' ' H ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -133.99 -144.85 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 120.843 0.354 . . . . 0.0 110.309 -179.492 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.52 ' H ' ' HB ' ' A' ' 35' ' ' VAL . 1.3 mp -78.51 115.94 21.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 120.816 0.341 . . . . 0.0 111.623 -175.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.57 24.96 76.14 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.9 -0.591 . . . . 0.0 113.192 174.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.2 m -69.17 112.44 5.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.267 0.556 . . . . 0.0 111.044 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.98 58.41 1.58 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.042 178.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.4 ' HB2' ' HB3' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -64.34 128.79 37.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.795 -178.784 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.58 53.19 3.4 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.902 178.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -160.57 -174.32 4.4 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 -177.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.78 136.78 36.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.815 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.5 t -101.41 126.11 55.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.798 0.332 . . . . 0.0 110.382 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -120.79 -177.09 3.39 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.699 179.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.521 ' HA ' ' O ' ' A' ' 16' ' ' LYS . 3.2 m -123.0 99.84 6.58 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.881 0.372 . . . . 0.0 110.067 178.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.64 ' HA ' ' HA ' ' A' ' 66' ' ' CYS . 0.3 OUTLIER -128.44 173.08 10.53 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.597 -175.669 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -124.49 -72.96 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 178.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.451 ' CG ' ' HB2' ' A' ' 65' ' ' ASN . 5.6 m-20 57.56 -134.13 1.18 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.51 -1.223 . . . . 0.0 111.984 170.29 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.516 ' CG ' ' HB3' ' A' ' 53' ' ' ASN . 0.2 OUTLIER -90.01 32.05 0.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.778 -171.724 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.434 ' HB ' ' OH ' ' A' ' 18' ' ' TYR . 9.4 p -63.59 -36.43 76.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-O 120.937 0.399 . . . . 0.0 111.315 -178.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.5 23.65 11.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.981 0.419 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.516 ' HB3' ' CG ' ' A' ' 50' ' ' ASP . 40.1 t30 -132.06 -98.81 0.3 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.359 -175.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.408 ' H ' ' HB3' ' A' ' 53' ' ' ASN . 0.2 OUTLIER -111.09 44.95 1.22 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.969 0.414 . . . . 0.0 111.395 -176.39 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -150.45 141.5 8.79 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.331 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -157.48 -50.87 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.867 0.365 . . . . 0.0 110.388 176.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.23 -38.1 11.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.136 0.493 . . . . 0.0 110.16 178.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.15 126.11 22.65 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.633 -177.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.41 ' HA ' HD13 ' A' ' 59' ' ' LEU . 2.9 mm? -113.71 89.86 3.2 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.195 -178.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.6 mp -79.62 81.07 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 176.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.64 HG13 ' HB3' ' A' ' 29' ' ' LEU . 6.6 pt -95.7 172.59 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.703 -170.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -107.76 3.15 24.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.667 177.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.476 ' HB2' ' CD2' ' A' ' 29' ' ' LEU . . . 61.32 21.79 12.26 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.946 -174.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.57 -23.65 45.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.159 0.504 . . . . 0.0 110.321 -176.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.451 ' HB2' ' CG ' ' A' ' 49' ' ' ASP . 12.5 m-80 -109.63 16.3 22.25 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.667 177.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.64 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 4.2 t -95.0 136.2 35.6 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.129 177.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.1 p -96.12 -10.18 9.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.047 0.451 . . . . 0.0 111.23 -176.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.931 0 CA-C-O 119.038 -0.505 . . . . 0.0 110.075 -178.044 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.474 0.752 0 CA-C-O 120.529 0.204 . . . . 0.0 110.469 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.452 ' HA ' ' HA2' ' A' ' 41' ' ' GLY . . . -92.51 113.4 25.67 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.921 0.391 . . . . 0.0 110.67 179.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.7 m -78.59 -31.6 47.27 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.494 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.796 ' HA ' ' H ' ' A' ' 40' ' ' CYS . 2.0 m 70.22 169.08 0.31 Allowed 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.537 -178.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.561 HG22 HG21 ' A' ' 9' ' ' THR . 16.1 pt -121.65 140.47 45.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.065 -178.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.82 -160.04 19.64 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.351 177.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.14 -17.86 13.15 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.339 2.026 . . . . 0.0 112.637 -176.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -143.45 78.02 1.58 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.958 0.409 . . . . 0.0 110.313 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.561 HG21 HG22 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -94.67 -94.28 0.18 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.408 176.383 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.33 83.41 5.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.026 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.3 m -123.78 79.07 1.67 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.162 0.506 . . . . 0.0 110.338 -178.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.484 HG22 ' H ' ' A' ' 13' ' ' ASP . 0.5 OUTLIER -101.06 -163.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.505 -179.759 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.484 ' H ' HG22 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -53.78 -60.24 3.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.572 -177.561 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -139.55 25.4 2.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.527 0.68 . . . . 0.0 111.07 179.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -109.96 126.9 54.4 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.692 178.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -107.07 157.66 34.84 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.81 -173.277 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -79.12 107.47 2.22 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 122.854 2.369 . . . . 0.0 111.614 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -113.13 130.16 56.28 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.586 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 68.5 m -79.92 74.21 6.67 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 176.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 67.5 m -79.99 114.86 19.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.387 -176.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -78.65 135.67 37.27 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 173.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.72 105.76 11.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.063 0.459 . . . . 0.0 110.716 -177.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.81 129.64 34.65 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.039 -179.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.87 -38.36 37.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.537 -176.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.6 41.94 2.05 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.408 -178.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.0 m -151.53 144.38 24.44 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 122.661 -0.317 . . . . 0.0 110.192 177.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.12 -21.68 33.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.96 0.409 . . . . 0.0 110.581 178.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.38 171.36 9.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.63 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 mt -116.8 148.15 41.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.816 0.341 . . . . 0.0 110.974 -178.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -107.16 102.75 1.88 Allowed Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 110.631 -0.988 . . . . 0.0 110.631 176.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.609 ' SG ' HD12 ' A' ' 61' ' ' ILE . 1.8 m -122.75 145.99 47.91 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.17 0.51 . . . . 0.0 112.021 -171.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.7 t -104.63 147.23 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 170.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.2 t -66.91 121.11 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.79 0.329 . . . . 0.0 110.379 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -78.3 131.54 10.97 Favored Glycine 0 N--CA 1.442 -0.939 0 CA-C-N 115.873 -0.603 . . . . 0.0 113.034 -177.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.48 -175.09 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 176.007 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.405 ' H ' HG13 ' A' ' 36' ' ' ILE . 3.6 mt -69.72 86.67 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.054 0.454 . . . . 0.0 110.447 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.37 40.07 3.31 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.881 179.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 p -83.34 -2.62 56.18 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 122.641 -0.329 . . . . 0.0 111.081 177.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.432 ' HA ' HG23 ' A' ' 4' ' ' THR . 0.8 OUTLIER 62.42 95.71 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.047 -176.197 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.796 ' H ' ' HA ' ' A' ' 4' ' ' THR . 0.1 OUTLIER -105.06 91.38 3.78 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.371 -178.698 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.452 ' HA2' ' HA ' ' A' ' 2' ' ' ALA . . . -100.21 60.76 0.69 Allowed Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 174.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -147.92 -158.43 0.91 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.527 0.203 . . . . 0.0 110.774 -175.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.14 -24.29 35.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.132 -179.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.7 t 62.24 102.29 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-O 121.068 0.461 . . . . 0.0 110.548 -176.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.632 ' HE3' ' SG ' ' A' ' 66' ' ' CYS . 27.1 mtpp -123.75 157.01 34.98 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.82 0.343 . . . . 0.0 110.937 -175.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.86 81.52 1.5 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.383 0.611 . . . . 0.0 109.863 -178.447 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.417 ' HB2' HD13 ' A' ' 61' ' ' ILE . 3.6 m -99.95 143.82 29.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.949 -176.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.37 64.34 3.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.031 0.443 . . . . 0.0 110.058 177.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -93.11 178.18 5.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.511 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -94.79 125.77 39.67 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.119 0.485 . . . . 0.0 111.76 -172.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.9 p -87.94 -10.14 10.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.646 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.33 -6.51 56.9 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.54 178.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -78.64 -68.76 0.62 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.981 179.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.71 -81.14 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.781 0.324 . . . . 0.0 111.166 177.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.488 ' H ' ' HG ' ' A' ' 59' ' ' LEU . . . 70.05 26.77 73.86 Favored Glycine 0 N--CA 1.451 -0.35 0 N-CA-C 111.362 -0.695 . . . . 0.0 111.362 -176.191 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.479 ' HB3' ' H ' ' A' ' 57' ' ' SER . 20.9 t30 -101.01 -98.59 0.26 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.721 -0.24 . . . . 0.0 110.901 -174.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.479 ' H ' ' HB3' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -79.76 -40.6 28.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.1 0.476 . . . . 0.0 110.782 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -150.41 154.9 38.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.327 -178.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.488 ' HG ' ' H ' ' A' ' 55' ' ' GLY . 1.5 mt -139.06 114.72 9.91 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.973 175.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.8 mp -81.42 105.41 11.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 175.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.609 HD12 ' SG ' ' A' ' 31' ' ' CYS . 11.9 mt -86.78 136.43 22.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.117 -174.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.599 ' HB3' ' OD1' ' A' ' 65' ' ' ASN . 53.5 t30 -80.34 136.08 36.32 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.203 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.83 -5.0 35.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.984 -175.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.89 -44.9 19.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.797 0.332 . . . . 0.0 110.937 179.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.599 ' OD1' ' HB3' ' A' ' 62' ' ' ASN . 1.8 p-10 -93.57 -9.97 36.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.946 0.403 . . . . 0.0 111.461 -176.373 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.632 ' SG ' ' HE3' ' A' ' 45' ' ' LYS . 38.4 t -89.07 106.07 18.2 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 172.192 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -79.81 -47.34 21.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.578 -175.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.46 -0.781 . . . . 0.0 110.198 -179.893 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 21.0 m . . . . . 0 N--CA 1.475 0.817 0 CA-C-O 120.606 0.241 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.452 ' HA ' ' HA2' ' A' ' 41' ' ' GLY . . . -81.1 115.45 20.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.99 0.424 . . . . 0.0 110.956 -176.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.29 135.92 53.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.557 178.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.05 119.56 31.86 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.367 -0.235 . . . . 0.0 110.367 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.4 pt -99.51 162.66 2.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.863 0.363 . . . . 0.0 111.204 -178.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.26 -156.56 29.73 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.958 -175.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.457 ' HA ' ' CG1' ' A' ' 36' ' ' ILE . 70.4 Cg_endo -78.4 -29.27 3.96 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.571 2.181 . . . . 0.0 112.392 -179.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -146.02 85.48 1.68 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.651 0.739 . . . . 0.0 110.039 178.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.33 -29.71 47.78 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.638 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -136.05 -93.36 0.26 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.724 176.212 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m 59.48 52.61 5.66 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 123.374 0.421 . . . . 0.0 111.457 176.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.5 mp -62.79 -65.92 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-O 121.199 0.523 . . . . 0.0 109.746 176.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -117.73 -74.71 0.6 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 170.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.758 ' HB3' ' HG3' ' A' ' 48' ' ' LYS . 5.8 t0 -127.73 23.62 6.21 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.765 0.793 . . . . 0.0 108.869 169.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.551 ' HD1' ' HB2' ' A' ' 48' ' ' LYS . 2.6 m-30 -80.48 86.98 5.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.89 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.478 ' HB2' ' CE1' ' A' ' 18' ' ' TYR . 3.4 mttm -78.24 161.9 68.64 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.449 -177.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -78.93 85.97 1.77 Allowed 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 122.763 2.309 . . . . 0.0 111.197 176.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.968 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 26.8 m-85 -84.37 140.45 31.56 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.913 -178.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.37 96.56 10.04 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 174.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.454 ' SG ' ' HB3' ' A' ' 29' ' ' LEU . 1.2 m -98.9 119.4 37.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.232 0.539 . . . . 0.0 112.089 -172.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.45 109.42 3.68 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 171.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 m -80.3 102.02 9.28 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.878 -178.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.438 ' HB2' ' O ' ' A' ' 26' ' ' SER . 7.5 mtt -79.19 127.62 32.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.053 -175.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.2 -24.25 37.59 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.151 -177.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -117.23 18.01 12.37 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.787 -177.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.438 ' O ' ' HB2' ' A' ' 23' ' ' MET . 57.1 m -157.35 141.18 15.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.723 0.297 . . . . 0.0 110.313 178.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.08 53.81 1.81 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.2 0.524 . . . . 0.0 110.632 178.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.28 128.97 46.85 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.014 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.454 ' HB3' ' SG ' ' A' ' 20' ' ' CYS . 74.9 mt -87.94 89.23 7.91 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.793 0.33 . . . . 0.0 111.245 -178.029 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -73.14 96.42 0.79 Allowed Glycine 0 CA--C 1.51 -0.268 0 N-CA-C 110.434 -1.066 . . . . 0.0 110.434 174.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.968 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 0.1 OUTLIER -120.87 150.94 40.28 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.482 0.658 . . . . 0.0 112.476 -166.427 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -127.82 142.98 42.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.093 -0.958 . . . . 0.0 108.785 170.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.8 p -69.15 126.85 30.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.1 0.476 . . . . 0.0 111.197 -176.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -104.74 133.53 11.59 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.645 177.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -127.8 -169.37 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.911 0.386 . . . . 0.0 111.301 -177.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.457 ' CG1' ' HA ' ' A' ' 7' ' ' PRO . 0.7 OUTLIER -56.65 116.02 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.865 -177.045 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.05 1.46 61.3 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.047 -0.596 . . . . 0.0 113.211 175.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 m -81.58 127.32 32.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 117.056 0.428 . . . . 0.0 110.652 -179.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -88.3 94.72 9.93 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 176.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.11 107.2 5.32 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.837 -177.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.452 ' HA2' ' HA ' ' A' ' 2' ' ' ALA . . . -86.69 -4.89 82.3 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.992 -0.623 . . . . 0.0 111.909 177.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -111.65 175.73 5.31 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 177.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.37 116.94 11.3 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.042 0.449 . . . . 0.0 110.737 -179.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.4 t -70.96 122.64 23.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.519 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.42 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -129.78 134.35 47.53 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.97 179.78 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.478 ' HA ' ' O ' ' A' ' 16' ' ' LYS . 5.0 m -88.53 85.48 6.84 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.106 0.479 . . . . 0.0 110.687 -179.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.42 ' SG ' ' HB3' ' A' ' 45' ' ' LYS . 1.4 m -118.43 166.98 12.01 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.275 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.758 ' HG3' ' HB3' ' A' ' 14' ' ' ASP . 0.9 OUTLIER -124.67 -34.0 2.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.694 0.283 . . . . 0.0 110.394 177.769 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.709 ' HB2' HG23 ' A' ' 61' ' ' ILE . 6.1 t70 56.65 -141.38 0.81 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -169.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -134.09 24.66 3.89 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 173.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.5 t 45.15 61.91 0.21 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.734 -175.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.05 125.92 30.06 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.224 178.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -78.91 54.51 1.58 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.613 0.72 . . . . 0.0 111.657 -172.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.78 16.38 11.85 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.203 173.101 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.772 ' HA3' ' HG ' ' A' ' 59' ' ' LEU . . . -136.33 122.98 2.79 Favored Glycine 0 N--CA 1.443 -0.848 0 CA-C-N 115.23 -0.896 . . . . 0.0 112.057 -178.247 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -110.61 -48.89 3.1 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.199 0.523 . . . . 0.0 109.921 176.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -118.11 -9.36 10.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.772 177.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -146.28 119.23 8.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.09 178.271 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.772 ' HG ' ' HA3' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -116.35 120.21 38.14 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.103 179.747 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.452 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 3.0 mp -86.98 110.68 20.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.892 -0.411 . . . . 0.0 109.892 178.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.709 HG23 ' HB2' ' A' ' 49' ' ' ASP . 1.6 mm -82.68 145.48 8.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.661 -178.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -75.97 140.87 42.26 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.8 173.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.54 -35.41 74.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 111.811 -176.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.67 -5.81 55.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.468 -177.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -104.73 27.04 8.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.525 0.679 . . . . 0.0 110.942 -176.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.5 t -136.89 171.07 15.06 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.218 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.512 HG13 ' CE2' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -78.79 -62.06 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.842 0.354 . . . . 0.0 111.129 -178.325 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.931 -0.556 . . . . 0.0 109.991 -179.088 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.476 0.851 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.96 115.03 18.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.978 0.418 . . . . 0.0 110.868 -179.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.02 133.09 49.55 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.247 178.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.605 HG23 ' HG3' ' A' ' 39' ' ' GLN . 0.1 OUTLIER -84.91 137.32 33.19 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.339 179.162 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.576 HD11 ' HB2' ' A' ' 38' ' ' SER . 0.6 OUTLIER -97.8 109.51 23.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 177.68 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.447 ' HA3' ' HD3' ' A' ' 7' ' ' PRO . . . -88.39 -117.5 1.4 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.162 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.447 ' HD3' ' HA3' ' A' ' 6' ' ' GLY . 5.5 Cg_exo -78.66 72.73 6.26 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 123.06 2.507 . . . . 0.0 111.997 -177.329 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 61.83 103.93 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.897 0.748 . . . . 0.0 111.525 178.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.499 ' HB ' HG22 ' A' ' 5' ' ' ILE . 4.7 m -110.24 61.46 0.6 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.058 0.456 . . . . 0.0 110.667 178.169 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.433 ' SG ' ' HA ' ' A' ' 17' ' ' PRO . 0.9 OUTLIER -160.57 99.92 1.3 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.255 -179.308 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 m -119.63 100.54 7.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.782 178.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.585 HD12 ' HB2' ' A' ' 46' ' ' CYS . 51.4 mt -142.72 -55.72 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.43 176.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.437 ' CG ' ' H ' ' A' ' 14' ' ' ASP . 29.6 t70 -177.35 -132.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 -179.236 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.437 ' H ' ' CG ' ' A' ' 13' ' ' ASP . 23.5 t0 -79.95 66.46 5.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.65 0.738 . . . . 0.0 109.175 173.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -132.56 135.94 46.27 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.295 -178.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 0.0 OUTLIER -100.55 154.87 36.94 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.692 -175.475 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.433 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 58.5 Cg_endo -76.9 98.4 1.22 Allowed 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.286 1.991 . . . . 0.0 111.64 177.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 1.065 ' HB3' ' HB3' ' A' ' 31' ' ' CYS . 59.5 m-85 -105.22 137.26 43.29 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.82 -177.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -86.28 89.11 7.75 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 172.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.688 ' HB3' HD22 ' A' ' 29' ' ' LEU . 90.9 m -89.09 115.38 26.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.335 -171.065 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.433 ' H ' ' HG2' ' A' ' 21' ' ' GLN . 0.8 OUTLIER -111.44 144.83 40.01 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 171.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.21 113.34 16.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.079 0.466 . . . . 0.0 110.833 -175.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.6 mmt -82.19 121.23 26.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.638 -176.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 m -81.64 80.71 7.91 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.677 -175.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.41 -25.05 27.72 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.928 175.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.47 -40.06 77.31 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.283 0.563 . . . . 0.0 110.553 179.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -168.46 -153.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.255 -0.884 . . . . 0.0 108.797 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.49 -71.64 0.67 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.957 0.408 . . . . 0.0 110.177 174.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.688 HD22 ' HB3' ' A' ' 20' ' ' CYS . 37.0 mt -124.52 124.9 43.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.17 0.509 . . . . 0.0 110.915 -178.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.631 ' HA3' ' HE2' ' A' ' 58' ' ' PHE . . . -87.65 76.03 2.05 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 175.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 1.065 ' HB3' ' HB3' ' A' ' 18' ' ' TYR . 36.8 m -88.52 102.03 14.52 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.958 0.409 . . . . 0.0 111.609 -173.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.634 HG13 ' HB2' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -82.69 138.27 19.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 174.864 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.1 p -64.61 116.09 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.251 0.548 . . . . 0.0 109.893 178.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.73 -43.33 84.92 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.715 -0.675 . . . . 0.0 113.127 -173.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.629 HG12 HG12 ' A' ' 36' ' ' ILE . 2.2 t 56.87 -112.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 -173.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.629 HG12 HG12 ' A' ' 35' ' ' VAL . 1.5 mm -134.19 131.1 55.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.594 0.235 . . . . 0.0 110.902 -178.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.2 -33.63 6.3 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.724 -0.75 . . . . 0.0 113.925 169.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.576 ' HB2' HD11 ' A' ' 5' ' ' ILE . 1.2 m -56.81 137.86 54.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.221 0.534 . . . . 0.0 112.217 -177.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.605 ' HG3' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -88.7 110.95 21.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.368 178.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.411 ' HB3' HG22 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -83.85 90.74 7.41 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.058 0.456 . . . . 0.0 110.413 179.902 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.17 0.15 80.67 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.964 177.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -120.81 -163.5 1.03 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.96 108.25 6.66 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.913 0.387 . . . . 0.0 111.2 -178.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.411 HG22 ' HB3' ' A' ' 40' ' ' CYS . 1.4 t -71.72 112.19 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 174.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt -129.66 145.73 51.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.189 0.519 . . . . 0.0 111.336 -175.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.585 ' HB2' HD12 ' A' ' 12' ' ' ILE . 13.3 m -97.5 75.61 2.5 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.622 176.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.542 ' HB3' ' HB2' ' A' ' 66' ' ' CYS . 58.2 m -88.77 168.86 12.13 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.617 -175.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.37 130.67 53.35 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.448 174.406 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -174.55 -38.06 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 178.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.7 t0 71.6 -81.17 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 114.19 -1.368 . . . . 0.0 111.46 174.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.0 t -134.7 120.34 31.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.34 -90.5 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 177.009 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -161.46 -73.6 0.06 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.909 0.385 . . . . 0.0 110.399 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.67 121.75 25.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.608 -177.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -108.12 88.89 0.55 Allowed Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 175.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -78.77 -77.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.624 0.25 . . . . 0.0 110.794 -174.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.25 -13.69 7.63 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.033 0.444 . . . . 0.0 110.239 176.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.634 ' HB2' HG13 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -160.23 -179.33 7.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.828 -179.373 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.58 141.39 31.48 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.843 0.354 . . . . 0.0 110.535 -179.525 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -115.58 133.54 61.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.823 177.167 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.927 HD13 ' HB2' ' A' ' 31' ' ' CYS . 0.9 OUTLIER -127.67 142.97 42.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.484 -173.905 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -79.6 130.78 35.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.46 44.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.052 0.453 . . . . 0.0 111.844 -177.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -126.33 -57.14 1.4 Allowed 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 174.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.26 -24.96 64.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.825 -1.079 . . . . 0.0 109.807 172.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.542 ' HB2' ' HB3' ' A' ' 47' ' ' CYS . 1.4 t -78.67 133.23 37.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.452 170.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.421 ' HB ' ' H ' ' A' ' 68' ' ' ALA . 14.6 m -82.8 -156.4 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.34 -176.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.421 ' H ' ' HB ' ' A' ' 67' ' ' VAL . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.431 -0.795 . . . . 0.0 110.972 -175.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.474 0.737 0 CA-C-O 120.884 0.373 . . . . 0.0 110.497 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.462 ' HA ' ' O ' ' A' ' 40' ' ' CYS . . . -79.69 111.54 16.09 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.36 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.64 127.14 50.51 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.931 0.396 . . . . 0.0 111.061 -179.347 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.774 ' HA ' ' HA ' ' A' ' 39' ' ' GLN . 0.2 OUTLIER -86.36 100.66 12.46 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.714 -178.278 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.467 ' HB ' ' OG1' ' A' ' 9' ' ' THR . 0.6 OUTLIER -77.44 155.56 5.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 CA-C-O 121.003 0.43 . . . . 0.0 110.879 -178.617 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.462 ' HA2' ' HA ' ' A' ' 36' ' ' ILE . . . -128.66 -121.41 2.37 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.717 -178.028 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.42 ' HD3' ' HA3' ' A' ' 6' ' ' GLY . 6.1 Cg_exo -79.36 81.84 2.67 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 123.249 2.633 . . . . 0.0 113.066 -175.71 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.818 ' HA ' ' HG3' ' A' ' 17' ' ' PRO . 1.6 t30 64.93 83.1 0.17 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.27 0.557 . . . . 0.0 111.124 173.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.467 ' OG1' ' HB ' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -78.78 -5.91 54.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.974 -176.084 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 96.7 m -113.07 120.41 41.24 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.716 0.293 . . . . 0.0 110.228 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -116.74 57.06 0.78 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.245 0.545 . . . . 0.0 110.44 -179.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.1 mt -120.91 79.83 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.3 t70 64.79 -86.08 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.796 173.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -128.82 4.14 5.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.289 0.566 . . . . 0.0 110.799 -176.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -79.82 122.25 26.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.908 0.385 . . . . 0.0 110.8 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.409 ' HB2' ' HE1' ' A' ' 18' ' ' TYR . 9.7 mttp -92.39 157.02 41.05 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.756 -175.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.818 ' HG3' ' HA ' ' A' ' 8' ' ' ASN . 72.3 Cg_endo -79.42 117.95 3.84 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.616 2.211 . . . . 0.0 111.651 175.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.858 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 11.6 m-85 -125.45 140.54 52.69 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 120.943 0.402 . . . . 0.0 110.904 -175.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.3 t -96.75 78.96 2.93 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.628 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.618 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 2.8 m -101.86 144.49 30.45 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.142 0.496 . . . . 0.0 111.839 -173.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -101.72 127.24 48.58 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 172.43 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.66 114.84 16.91 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.107 0.479 . . . . 0.0 110.668 -175.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.97 109.84 13.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.615 -179.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.92 109.82 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.349 -0.841 . . . . 0.0 112.003 -173.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.57 -2.36 31.42 Favored Glycine 0 N--CA 1.452 -0.278 0 CA-C-N 115.831 -0.622 . . . . 0.0 113.603 175.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.57 -13.87 24.05 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 117.008 0.404 . . . . 0.0 111.296 -175.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 71.49 -62.43 0.46 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.324 0.65 . . . . 0.0 112.186 176.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -64.35 112.37 3.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.059 0.457 . . . . 0.0 110.651 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.434 HD12 ' HB ' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -95.25 140.53 30.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.053 -174.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.438 ' O ' ' HG2' ' A' ' 21' ' ' GLN . . . -86.29 117.71 4.69 Favored Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 110.119 -1.193 . . . . 0.0 110.119 173.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.858 ' SG ' ' HB3' ' A' ' 18' ' ' TYR . 10.8 t -124.92 144.98 50.05 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -170.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' ' 57' ' ' SER . 21.7 t -105.59 133.37 50.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 171.421 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 36.7 t -61.32 115.88 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.62 115.69 6.07 Favored Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.124 -178.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.1 m -122.07 -177.03 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 120.686 0.279 . . . . 0.0 110.305 178.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.462 ' HA ' ' HA2' ' A' ' 6' ' ' GLY . 1.1 mp -66.24 108.12 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.548 179.207 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.24 39.68 2.58 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.498 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m -116.16 102.66 9.8 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.915 0.388 . . . . 0.0 110.704 177.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.774 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 27.6 tt0 -79.77 96.02 6.16 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.09 177.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 17.8 m -70.89 108.2 4.4 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.938 -178.221 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.88 -20.73 69.97 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 175.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -97.63 -120.08 0.13 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 178.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 53.8 m -121.03 124.91 45.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.759 0.314 . . . . 0.0 111.152 -178.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.7 p -79.57 112.16 17.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 172.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -111.5 160.43 17.15 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.07 -173.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.505 ' HB2' ' HB3' ' A' ' 68' ' ' ALA . 38.9 m -112.48 93.62 4.53 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.645 177.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.8 m -112.75 149.57 32.79 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.682 -176.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.14 -46.37 29.06 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 171.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 68.63 157.61 0.14 Allowed 'General case' 0 CA--C 1.533 0.305 0 O-C-N 124.459 1.099 . . . . 0.0 111.058 171.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -121.84 57.99 1.03 Allowed 'General case' 0 C--N 1.322 -0.623 0 O-C-N 122.115 -0.366 . . . . 0.0 111.067 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 p -58.43 100.32 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-O 121.81 0.814 . . . . 0.0 109.939 173.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.4 -64.95 1.07 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.092 -175.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -161.1 -45.1 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.495 0.664 . . . . 0.0 109.475 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.18 107.51 19.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.534 177.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 149.04 111.89 0.61 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.077 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -136.02 -61.14 0.71 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.861 0.362 . . . . 0.0 110.122 178.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.407 ' O ' HG13 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -79.93 -28.31 39.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.12 0.486 . . . . 0.0 110.393 178.659 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -140.7 126.9 19.69 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.808 179.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.03 148.62 52.77 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.232 176.268 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 40.7 mm -105.19 124.26 59.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.801 0.334 . . . . 0.0 110.388 -179.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.474 HG21 ' SG ' ' A' ' 66' ' ' CYS . 36.8 mt -112.51 131.12 64.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.164 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -81.66 52.76 1.97 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -175.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.434 ' HA ' HD11 ' A' ' 29' ' ' LEU . . . 65.92 -66.99 0.15 Allowed 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 173.081 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.09 -4.34 43.91 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -166.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.47 -20.78 46.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.323 0.582 . . . . 0.0 110.247 177.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.474 ' SG ' HG21 ' A' ' 61' ' ' ILE . 80.2 m -95.45 97.58 9.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.052 174.074 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.3 m -79.71 -30.0 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.901 0.381 . . . . 0.0 111.186 -176.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.505 ' HB3' ' HB2' ' A' ' 46' ' ' CYS . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.641 -0.695 . . . . 0.0 110.083 -179.458 . . . . . . . . 1 1 . 1 stop_ save_