data_2frc_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 2frc _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 full ' A' A ' 1' ' ' GLY . . . . . 0.461 ' CA ' ' HB1' ' A' ' 96' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.239 0 N-CA-C 109.479 -1.449 . . . . 1.2 109.479 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 3' ' ' VAL . 64.7 m-20 -79.93 74.59 6.68 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.299 -1.118 . . . . 1.2 109.508 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.532 HG11 ' CB ' ' A' ' 96' ' ' ALA . 17.2 m -42.4 -27.84 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.331 -0.856 . . . . 1.4199999999999999 108.951 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 2' ' ' ASP . 4.5 tt0 -44.08 -57.58 3.3 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.783 -0.821 . . . . 1.54 108.783 179.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.469 ' HA ' ' HB2' ' A' ' 8' ' ' LYS . 2.7 ttmt -86.26 -28.01 24.06 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.888 -0.782 . . . . 1.3500000000000001 108.888 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.534 ' O ' ' HB3' ' A' ' 10' ' ' PHE . . . -46.6 -70.54 0.66 Allowed Glycine 0 N--CA 1.483 1.779 0 N-CA-C 108.064 -2.014 . . . . 0.19 108.064 179.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.573 ' HA ' ' CD1' ' A' ' 97' ' ' TYR . 3.1 pttt -58.94 -19.82 46.33 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.515 -0.991 . . . . 2.4900000000000002 109.387 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.496 ' O ' ' CG ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -82.17 -83.55 0.12 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.171 -0.956 . . . . 1.97 109.42 -179.906 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.517 ' HA ' ' HG3' ' A' ' 12' ' ' GLN . 5.7 mm -39.73 -32.42 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 N-CA-C 108.585 -0.895 . . . . 1.29 108.585 179.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.717 ' CD2' ' CE2' ' A' ' 97' ' ' TYR . 11.6 t80 -68.48 -61.32 1.88 Allowed 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 107.586 -1.265 . . . . 0.17000000000000001 107.586 178.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.602 ' CG2' ' HB3' ' A' ' 15' ' ' ALA . 4.7 p -72.09 5.03 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.698 -0.626 . . . . 1.0600000000000001 110.57 -179.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.517 ' HG3' ' HA ' ' A' ' 9' ' ' ILE . 4.6 mm-40 -88.43 -63.0 1.36 Allowed 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 107.502 -1.295 . . . . 1.97 107.502 179.133 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.48 -37.63 8.74 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.526 -0.734 . . . . 2.71 109.029 178.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.731 ' O ' ' HB2' ' A' ' 18' ' ' HIS . 3.9 m -78.03 -10.06 59.42 Favored 'General case' 0 C--O 1.197 -1.703 0 O-C-N 121.57 -0.706 . . . . 0.33000000000000002 109.423 -179.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.602 ' HB3' ' CG2' ' A' ' 11' ' ' VAL . . . -65.67 -31.42 72.42 Favored 'General case' 0 C--N 1.289 -2.062 0 O-C-N 120.206 -1.559 . . . . 1.04 108.555 179.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -62.36 -68.61 0.31 Allowed 'General case' 0 C--N 1.297 -1.715 0 CA-C-O 121.399 0.619 . . . . 1.97 110.536 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.549 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 2.7 m -80.22 -13.02 59.56 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.365 -0.834 . . . . 0.28000000000000003 110.194 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.896 ' CA ' ' H2 ' ' A' ' 200' ' ' HOH . 87.4 m-70 -124.69 53.34 1.47 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.138 -0.976 . . . . 0.27000000000000002 111.803 -178.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.2 p -61.01 115.23 3.58 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.176 -1.416 . . . . 1.0900000000000001 107.176 177.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.628 HG22 ' CZ ' ' A' ' 10' ' ' PHE . 1.7 t -80.09 93.54 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.289 -2.029 0 CA-C-O 122.047 0.927 . . . . 1.05 109.768 -178.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -150.05 -158.37 0.91 Allowed 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 108.585 -0.895 . . . . 2.3399999999999999 108.585 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 23' ' ' GLY . 1.3 tttt -56.01 118.03 4.27 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.988 -1.07 . . . . 3.4399999999999999 109.108 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 22' ' ' LYS . . . -41.72 -86.5 0.01 OUTLIER Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.682 -1.367 . . . . 1.52 109.682 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.534 ' O ' ' N ' ' A' ' 26' ' ' HIS . . . 60.84 -169.97 8.38 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.419 -1.472 . . . . 1.22 109.419 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 24' ' ' GLY . 4.4 mttt -45.2 95.95 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.376 -1.073 . . . . 3.4700000000000002 108.544 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.6 ' CG ' ' HB3' ' A' ' 30' ' ' PRO . 8.9 m-70 -55.38 173.75 0.11 Allowed 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.443 -0.786 . . . . 0.41999999999999998 110.479 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -135.36 -152.93 0.48 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.508 -0.745 . . . . 3.1600000000000001 109.165 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.465 ' OG1' HMD3 ' A' ' 105' ' ' HEC . 0.0 OUTLIER -52.41 -29.21 23.12 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.114 -0.991 . . . . 1.25 109.216 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.623 ' CA ' ' CE1' ' A' ' 18' ' ' HIS . . . -143.53 115.58 0.92 Allowed Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.318 -1.513 . . . . 0.88 109.318 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.621 ' HD3' ' CE2' ' A' ' 46' ' ' PHE . 12.2 Cg_endo -74.19 145.26 34.57 Favored 'Trans proline' 0 C--N 1.312 -1.369 0 C-N-CA 122.604 2.202 . . . . 0.22 110.237 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.637 ' HA ' ' O ' ' A' ' 200' ' ' HOH . 46.3 p-10 -49.5 97.91 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 107.766 -1.198 . . . . 1.78 107.766 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.643 ' CD2' ' CG ' ' A' ' 18' ' ' HIS . 0.1 OUTLIER -76.59 35.15 0.15 Allowed 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 120.18 -0.608 . . . . 1.05 111.635 -178.124 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.549 ' CA ' ' HB2' ' A' ' 101' ' ' ALA . 10.2 p-80 -89.58 13.38 14.15 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 107.147 -1.427 . . . . 2.7799999999999998 107.147 177.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.542 ' HA2' ' HA ' ' A' ' 102' ' ' THR . . . -143.27 34.84 1.71 Allowed Glycine 0 N--CA 1.484 1.881 0 N-CA-C 107.71 -2.156 . . . . 0.88 107.71 179.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.616 ' HG ' ' CD1' ' A' ' 59' ' ' TRP . 0.8 OUTLIER -63.03 -41.77 99.6 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.815 -0.815 . . . . 2.0800000000000001 109.763 -179.547 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.621 ' CD1' ' OG1' ' A' ' 102' ' ' THR . 17.3 m-85 -57.96 -18.31 22.71 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 107.911 -1.144 . . . . 2.1800000000000002 107.911 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -108.81 -14.51 15.27 Favored Glycine 0 N--CA 1.485 1.956 0 N-CA-C 109.782 -1.327 . . . . 0.79000000000000004 109.782 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.465 ' HB2' ' HA ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -89.4 126.56 35.6 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.085 -1.244 . . . . 2.4300000000000002 109.437 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.53 ' HG3' ' CB ' ' A' ' 42' ' ' GLN . 0.3 OUTLIER -54.91 166.56 0.49 Allowed 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.233 -0.917 . . . . 2.21 108.937 179.693 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.537 ' OG1' ' CB ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -55.04 -18.76 5.71 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.131 -0.981 . . . . 1.0800000000000001 108.467 179.513 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.578 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . -167.77 70.47 0.17 Allowed Glycine 0 N--CA 1.485 1.959 0 N-CA-C 109.587 -1.405 . . . . 0.41999999999999998 109.587 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.53 ' CB ' ' HG3' ' A' ' 39' ' ' LYS . 29.1 tt0 -135.63 37.94 2.87 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.993 -1.298 . . . . 2.4399999999999999 109.162 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.596 ' HB1' ' CE1' ' A' ' 48' ' ' TYR . . . -64.18 122.29 76.81 Favored Pre-proline 0 N--CA 1.484 1.226 0 O-C-N 121.051 -1.03 . . . . 1.1100000000000001 109.624 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.429 ' HD2' ' CD2' ' A' ' 26' ' ' HIS . 2.7 Cg_exo -52.49 112.8 0.98 Allowed 'Trans proline' 0 C--N 1.311 -1.405 0 C-N-CA 121.878 1.718 . . . . 1.48 110.068 179.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.56 -49.55 4.07 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 108.291 -1.924 . . . . 1.1899999999999999 108.291 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.638 ' O ' ' CG ' ' A' ' 46' ' ' PHE . 0.9 OUTLIER -90.1 71.27 7.35 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 108.453 -0.943 . . . . 0.34000000000000002 108.453 179.049 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.527 ' HB ' ' CE ' ' A' ' 53' ' ' LYS . 18.9 p -74.93 99.47 3.84 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 120.498 -1.377 . . . . 1.0700000000000001 109.074 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.651 ' CE2' ' CGA' ' A' ' 105' ' ' HEC . 86.1 m-85 -31.68 158.84 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.85 0 CA-C-N 115.214 -0.903 . . . . 0.20000000000000001 112.648 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.562 ' O ' ' N ' ' A' ' 51' ' ' ALA . 2.1 m -57.38 148.33 23.48 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 107.663 -1.236 . . . . 1.05 107.663 177.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.538 ' O ' ' CB ' ' A' ' 54' ' ' ASN . 3.7 m-20 -33.37 -31.63 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 121.112 0.482 . . . . 2.2599999999999998 110.748 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.562 ' N ' ' O ' ' A' ' 49' ' ' THR . . . -52.7 -69.38 0.12 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.155 -0.966 . . . . 1.1000000000000001 110.439 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.521 ' ND2' HG22 ' A' ' 75' ' ' ILE . 2.3 m-20 -74.99 -33.33 61.84 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.906 -1.121 . . . . 1.72 109.857 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.54 ' CD ' ' O ' ' A' ' 41' ' ' GLY . 0.9 OUTLIER -74.74 3.4 8.04 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.438 -0.789 . . . . 2.0 110.19 -179.447 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.538 ' CB ' ' O ' ' A' ' 50' ' ' ASP . 21.8 t-20 -124.37 17.3 9.0 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.888 -1.132 . . . . 2.27 109.993 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.537 ' CB ' ' OG1' ' A' ' 40' ' ' THR . 28.9 mmtt -79.99 -95.52 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.106 -0.996 . . . . 2.4100000000000001 109.675 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 140.95 -4.68 2.41 Favored Glycine 0 N--CA 1.494 2.505 0 C-N-CA 119.645 -1.264 . . . . 1.02 110.625 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.512 ' CD1' HG23 ' A' ' 63' ' ' THR . 1.0 OUTLIER -110.03 -164.76 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 O-C-N 120.901 -1.352 . . . . 1.3899999999999999 109.117 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.526 ' CG2' ' O ' ' A' ' 36' ' ' PHE . 4.0 m -123.93 160.86 26.61 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 107.87 -1.159 . . . . 1.5900000000000001 107.87 179.274 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.616 ' CD1' ' HG ' ' A' ' 35' ' ' LEU . 96.8 m95 -73.71 83.74 1.61 Allowed 'General case' 0 C--N 1.299 -1.617 0 O-C-N 120.976 -1.077 . . . . 0.26000000000000001 109.819 -179.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.565 ' O ' ' N ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -100.04 139.25 35.98 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.448 -0.945 . . . . 2.5099999999999998 108.448 179.109 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.518 ' C ' ' O ' ' A' ' 60' ' ' LYS . 0.6 OUTLIER -23.67 -42.76 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 120.99 0.424 . . . . 1.53 111.422 -179.705 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.565 ' N ' ' O ' ' A' ' 60' ' ' LYS . 2.8 mt-10 -70.69 -62.42 1.4 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.112 -0.992 . . . . 1.8 109.706 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.512 HG23 ' CD1' ' A' ' 57' ' ' ILE . 5.6 p -46.66 -55.78 7.17 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.174 -0.954 . . . . 1.1100000000000001 109.601 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.521 ' CD2' ' C ' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -67.59 -26.51 66.3 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.963 -1.086 . . . . 1.0800000000000001 108.439 179.745 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.615 ' O ' ' CG ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -58.86 -27.18 64.92 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 106.468 -1.679 . . . . 1.97 106.468 177.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.581 ' HB3' ' CZ ' ' A' ' 74' ' ' TYR . 0.3 OUTLIER -83.38 -25.67 31.16 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.821 -0.807 . . . . 2.29 108.821 179.241 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.664 ' CZ ' ' CD2' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -89.15 -67.21 0.85 Allowed 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 107.753 -1.202 . . . . 2.1099999999999999 107.753 -179.681 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.664 ' CD2' ' CZ ' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -49.56 -40.06 37.12 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 120.484 -1.385 . . . . 1.3799999999999999 109.989 178.49 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.615 ' CG ' ' O ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -74.78 -34.66 62.47 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.485 -1.385 . . . . 2.5800000000000001 109.232 -179.562 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.515 ' CB ' ' OE2' ' A' ' 69' ' ' GLU . 1.1 t-20 -130.34 64.37 72.56 Favored Pre-proline 0 C--N 1.299 -1.614 0 N-CA-C 106.906 -1.516 . . . . 2.2799999999999998 106.906 178.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.579 ' N ' ' O ' ' A' ' 67' ' ' TYR . 2.5 Cg_endo -61.78 -52.51 2.92 Favored 'Trans proline' 0 C--N 1.31 -1.467 0 C-N-CA 122.39 2.06 . . . . 0.28000000000000003 111.487 -177.121 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.524 ' HB2' ' CB ' ' A' ' 83' ' ' ALA . 79.2 tttt -69.75 -5.44 25.23 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.97 -1.081 . . . . 3.5499999999999998 109.571 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -115.14 6.25 15.06 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.142 -0.974 . . . . 3.0800000000000001 109.814 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.644 ' HE2' ' H2 ' ' A' ' 204' ' ' HOH . 0.0 OUTLIER -127.72 -49.27 1.37 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.095 -1.003 . . . . 2.2799999999999998 109.714 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.642 ' HB ' ' HD3' ' A' ' 76' ' ' PRO . 3.3 mp -159.5 -62.43 0.02 OUTLIER Pre-proline 0 N--CA 1.488 1.46 0 O-C-N 121.423 -0.798 . . . . 1.0700000000000001 109.151 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.642 ' HD3' ' HB ' ' A' ' 75' ' ' ILE . 21.6 Cg_exo -43.51 87.25 0.01 OUTLIER 'Trans proline' 0 C--N 1.319 -1.023 0 C-N-CA 121.812 1.675 . . . . 0.40999999999999998 109.353 178.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.595 ' N ' ' O ' ' A' ' 75' ' ' ILE . . . -178.76 -37.66 0.06 OUTLIER Glycine 0 C--N 1.29 -1.994 0 N-CA-C 106.927 -2.469 . . . . 0.53000000000000003 106.927 -178.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.52 ' OG1' ' N ' ' A' ' 79' ' ' LYS . 0.5 OUTLIER -65.78 -85.65 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 107.924 -1.139 . . . . 1.98 107.924 178.504 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.521 ' CB ' HMD1 ' A' ' 105' ' ' HEC . 14.7 mttt -89.66 -46.17 8.82 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.617 -1.302 . . . . 2.3700000000000001 108.767 178.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.674 ' HE2' ' CE2' ' A' ' 82' ' ' PHE . 1.3 ttp -44.7 124.91 4.56 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 108.785 -0.82 . . . . 1.3100000000000001 108.785 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.62 ' CG1' ' O ' ' A' ' 81' ' ' ILE . 0.1 OUTLIER -92.03 15.5 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.668 0 N-CA-C 108.486 -0.931 . . . . 1.5700000000000001 108.486 -179.835 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.674 ' CE2' ' HE2' ' A' ' 80' ' ' MET . 0.1 OUTLIER -119.81 158.4 26.66 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.658 -1.276 . . . . 2.1400000000000001 109.265 178.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.524 ' CB ' ' HB2' ' A' ' 72' ' ' LYS . . . -170.18 25.88 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.228 -0.92 . . . . 1.72 110.233 -178.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.416 ' C ' HG13 ' A' ' 85' ' ' ILE . . . 171.77 167.43 31.93 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.702 -1.359 . . . . 1.8 109.702 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.507 HG22 ' CB ' ' A' ' 90' ' ' GLU . 3.2 mt -131.48 171.38 18.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.39 -1.065 . . . . 2.6499999999999999 109.336 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -48.43 -72.53 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.254 -0.904 . . . . 3.46 109.68 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.44 ' O ' ' HG3' ' A' ' 88' ' ' LYS . 88.6 mttt -74.98 -93.14 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.23 -0.919 . . . . 3.5899999999999999 109.575 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 87' ' ' LYS . 1.2 mtpt -179.73 -44.13 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.139 -0.976 . . . . 3.5600000000000001 109.399 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 68.4 p -69.71 -6.21 30.27 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.273 -0.892 . . . . 2.0499999999999998 109.466 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.507 ' CB ' HG22 ' A' ' 85' ' ' ILE . 1.6 mm-40 -55.54 -18.28 7.1 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.258 -0.901 . . . . 2.3100000000000001 109.601 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.52 ' NH1' ' HG3' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -76.75 -37.15 56.44 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.131 -0.981 . . . . 2.5600000000000001 109.447 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.52 ' HG3' ' NH1' ' A' ' 91' ' ' ARG . 1.1 mt-10 -63.43 -34.27 77.37 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.186 -0.946 . . . . 1.8600000000000001 109.007 179.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.44 ' OD2' ' HB2' ' A' ' 2' ' ' ASP . 11.8 m-20 -61.19 -37.31 82.49 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.337 -0.852 . . . . 1.1399999999999999 109.52 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.581 ' CD1' ' HB2' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -67.84 -34.43 76.7 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 118.836 -1.146 . . . . 1.1000000000000001 108.798 179.545 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.519 ' O ' ' CB ' ' A' ' 99' ' ' LYS . 3.7 mt -58.76 -21.13 18.21 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.741 0 N-CA-C 107.239 -1.393 . . . . 1.55 107.239 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.532 ' CB ' HG11 ' A' ' 3' ' ' VAL . . . -78.54 -35.78 45.68 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 106.405 -1.702 . . . . 1.03 106.405 177.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.717 ' CE2' ' CD2' ' A' ' 10' ' ' PHE . 26.3 t80 -60.63 -44.3 96.51 Favored 'General case' 0 N--CA 1.491 1.614 0 CA-C-O 121.445 0.64 . . . . 0.62 109.741 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.553 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 5.9 mt -87.97 -60.78 1.87 Allowed 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.602 -0.686 . . . . 1.03 109.817 -178.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.521 ' C ' ' O ' ' A' ' 98' ' ' LEU . 71.2 tttt -34.05 -36.54 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 108.896 -0.779 . . . . 2.5600000000000001 108.896 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' A' ' 98' ' ' LEU . 0.1 OUTLIER -84.13 -48.08 10.21 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 107.929 -1.137 . . . . 3.21 107.929 178.199 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.549 ' HB2' ' CA ' ' A' ' 33' ' ' HIS . . . -61.58 -73.48 0.1 Allowed 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.049 -1.093 . . . . 1.03 108.049 178.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.621 ' OG1' ' CD1' ' A' ' 36' ' ' PHE . 4.7 p -40.27 -53.27 2.56 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 109.42 -0.585 . . . . 1.03 109.42 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 3.9 t-20 -45.33 -50.56 11.97 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.118 -0.989 . . . . 1.8899999999999999 109.381 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.445 ' O ' ' O ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.518 0 CA-C-O 117.978 -1.01 . . . . 3.7599999999999998 109.434 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' HEC . . . . . 0.769 HAA1 ' H1 ' ' A' ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' HOH . . . . . 0.896 ' H2 ' ' CA ' ' A' ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' HOH . . . . . 0.769 ' H1 ' HAA1 ' A' ' 105' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' HOH . . . . . 0.502 ' O ' ' N ' ' A' ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 204' ' ' HOH . . . . . 0.644 ' H2 ' ' HE2' ' A' ' 74' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 205' ' ' HOH . . . . . 0.412 ' O ' ' CE1' ' A' ' 36' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.626 ' CA ' ' HB2' ' A' ' 96' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.239 0 N-CA-C 109.479 -1.449 . . . . 0.51 109.479 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.45 ' HB2' ' OD2' ' A' ' 93' ' ' ASP . 64.7 m-20 -79.93 74.59 6.68 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.299 -1.118 . . . . 1.2 109.508 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.84 ' CG1' ' HB1' ' A' ' 96' ' ' ALA . 17.2 m -42.4 -27.84 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.331 -0.856 . . . . 0.74 108.951 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 2' ' ' ASP . 4.5 tt0 -44.08 -57.58 3.3 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.783 -0.821 . . . . 1.54 108.783 179.398 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.5 ' HA ' ' HB2' ' A' ' 8' ' ' LYS . 2.7 ttmt -86.26 -28.01 24.06 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.888 -0.782 . . . . 0.76 108.888 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.57 ' O ' ' HB3' ' A' ' 10' ' ' PHE . . . -46.6 -70.54 0.66 Allowed Glycine 0 N--CA 1.483 1.779 0 N-CA-C 108.064 -2.014 . . . . 0.17 108.064 179.325 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.682 ' O ' HG12 ' A' ' 11' ' ' VAL . 3.1 pttt -58.94 -19.82 46.33 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.515 -0.991 . . . . 1.96 109.387 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.5 ' HB2' ' HA ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -82.17 -83.55 0.12 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.171 -0.956 . . . . 1.52 109.42 -179.906 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.511 ' HA ' ' HG3' ' A' ' 12' ' ' GLN . 5.7 mm -39.73 -32.42 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 N-CA-C 108.585 -0.895 . . . . 0.67 108.585 179.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.815 ' HB2' HD12 ' A' ' 94' ' ' LEU . 11.6 t80 -68.48 -61.32 1.88 Allowed 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 107.586 -1.265 . . . . 0.16 107.586 178.045 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.742 ' CA ' ' HB2' ' A' ' 15' ' ' ALA . 4.7 p -72.09 5.03 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.698 -0.626 . . . . 0.17 110.57 -179.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.511 ' HG3' ' HA ' ' A' ' 9' ' ' ILE . 4.6 mm-40 -88.43 -63.0 1.36 Allowed 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 107.502 -1.295 . . . . 1.15 107.502 179.133 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.472 ' O ' HMC3 ' A' ' 105' ' ' HEC . 0.1 OUTLIER -100.48 -37.63 8.74 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.526 -0.734 . . . . 2.26 109.029 178.517 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.737 ' O ' ' HB2' ' A' ' 18' ' ' HIS . 3.9 m -78.03 -10.06 59.42 Favored 'General case' 0 C--O 1.197 -1.703 0 O-C-N 121.57 -0.706 . . . . 0.33 109.423 -179.164 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.742 ' HB2' ' CA ' ' A' ' 11' ' ' VAL . . . -65.67 -31.42 72.42 Favored 'General case' 0 C--N 1.289 -2.062 0 O-C-N 120.206 -1.559 . . . . 0.25 108.555 179.032 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -62.36 -68.61 0.31 Allowed 'General case' 0 C--N 1.297 -1.715 0 CA-C-O 121.399 0.619 . . . . 1.17 110.536 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.549 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 2.7 m -80.22 -13.02 59.56 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.365 -0.834 . . . . 0.28 110.194 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.796 ' CG ' HD21 ' A' ' 32' ' ' LEU . 87.4 m-70 -124.69 53.34 1.47 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.138 -0.976 . . . . 0.2 111.803 -178.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.2 p -61.01 115.23 3.58 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.176 -1.416 . . . . 0.29 107.176 177.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.905 HG21 ' OH ' ' A' ' 97' ' ' TYR . 1.7 t -80.09 93.54 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.289 -2.029 0 CA-C-O 122.047 0.927 . . . . 0.36 109.768 -178.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -150.05 -158.37 0.91 Allowed 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 108.585 -0.895 . . . . 2.34 108.585 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 23' ' ' GLY . 1.3 tttt -56.01 118.03 4.27 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.988 -1.07 . . . . 2.97 109.108 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 22' ' ' LYS . . . -41.72 -86.5 0.01 OUTLIER Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.682 -1.367 . . . . 1.52 109.682 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.534 ' O ' ' N ' ' A' ' 26' ' ' HIS . . . 60.84 -169.97 8.38 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.419 -1.472 . . . . 0.59 109.419 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 24' ' ' GLY . 4.4 mttt -45.2 95.95 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.376 -1.073 . . . . 3.06 108.544 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.679 ' CD2' ' HB3' ' A' ' 30' ' ' PRO . 4.1 m170 -55.38 173.75 0.11 Allowed 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.443 -0.786 . . . . 0.37 110.479 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -135.36 -152.93 0.48 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.508 -0.745 . . . . 2.67 109.165 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.624 ' OG1' HMD3 ' A' ' 105' ' ' HEC . 0.0 OUTLIER -52.41 -29.21 23.12 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.114 -0.991 . . . . 0.55 109.216 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.635 ' HA3' ' CE1' ' A' ' 18' ' ' HIS . . . -143.53 115.58 0.92 Allowed Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.318 -1.513 . . . . 0.16 109.318 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.679 ' HB3' ' CD2' ' A' ' 26' ' ' HIS . 12.2 Cg_endo -74.19 145.26 34.57 Favored 'Trans proline' 0 C--N 1.312 -1.369 0 C-N-CA 122.604 2.202 . . . . 0.17 110.237 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.633 ' HA ' ' O ' ' A' ' 200' ' ' HOH . 46.3 p-10 -49.5 97.91 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 107.766 -1.198 . . . . 1.22 107.766 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.062 HD12 HD21 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -76.59 35.15 0.15 Allowed 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 120.18 -0.608 . . . . 0.18 111.635 -178.124 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.986 ' HB2' ' HB1' ' A' ' 101' ' ' ALA . 2.3 p80 -89.58 13.38 14.15 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 107.147 -1.427 . . . . 2.12 107.147 177.15 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.564 ' HA2' ' HA ' ' A' ' 102' ' ' THR . . . -143.27 34.84 1.71 Allowed Glycine 0 N--CA 1.484 1.881 0 N-CA-C 107.71 -2.156 . . . . 0.13 107.71 179.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.943 HD13 ' HB2' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -63.03 -41.77 99.6 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.815 -0.815 . . . . 1.47 109.763 -179.547 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.765 ' O ' HG21 ' A' ' 58' ' ' THR . 17.3 m-85 -57.96 -18.31 22.71 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 107.911 -1.144 . . . . 1.25 107.911 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -108.81 -14.51 15.27 Favored Glycine 0 N--CA 1.485 1.956 0 N-CA-C 109.782 -1.327 . . . . 0.17 109.782 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.491 ' HB2' ' HA ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -89.4 126.56 35.6 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.085 -1.244 . . . . 1.96 109.437 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.526 ' HG3' ' CB ' ' A' ' 42' ' ' GLN . 0.3 OUTLIER -54.91 166.56 0.49 Allowed 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.233 -0.917 . . . . 1.7 108.937 179.693 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.537 ' OG1' ' CB ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -55.04 -18.76 5.71 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.131 -0.981 . . . . 0.24 108.467 179.513 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.592 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . -167.77 70.47 0.17 Allowed Glycine 0 N--CA 1.485 1.959 0 N-CA-C 109.587 -1.405 . . . . 0.25 109.587 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.526 ' CB ' ' HG3' ' A' ' 39' ' ' LYS . 29.1 tt0 -135.63 37.94 2.87 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.993 -1.298 . . . . 2.12 109.162 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 1.06 ' HB3' ' O ' ' A' ' 46' ' ' PHE . . . -64.18 122.29 76.81 Favored Pre-proline 0 N--CA 1.484 1.226 0 O-C-N 121.051 -1.03 . . . . 0.62 109.624 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -52.49 112.8 0.98 Allowed 'Trans proline' 0 C--N 1.311 -1.405 0 C-N-CA 121.878 1.718 . . . . 1.48 110.068 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.56 -49.55 4.07 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 108.291 -1.924 . . . . 0.42 108.291 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 1.06 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.9 OUTLIER -90.1 71.27 7.35 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 108.453 -0.943 . . . . 0.28 108.453 179.049 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.542 ' HB ' ' CE ' ' A' ' 53' ' ' LYS . 18.9 p -74.93 99.47 3.84 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 120.498 -1.377 . . . . 0.3 109.074 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.675 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 86.1 m-85 -31.68 158.84 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.85 0 CA-C-N 115.214 -0.903 . . . . 0.2 112.648 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.678 HG22 ' H ' ' A' ' 51' ' ' ALA . 2.1 m -57.38 148.33 23.48 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 107.663 -1.236 . . . . 0.35 107.663 177.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.538 ' O ' ' CB ' ' A' ' 54' ' ' ASN . 3.7 m-20 -33.37 -31.63 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 121.112 0.482 . . . . 2.26 110.748 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.678 ' H ' HG22 ' A' ' 49' ' ' THR . . . -52.7 -69.38 0.12 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.155 -0.966 . . . . 0.36 110.439 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.596 ' OD1' HG21 ' A' ' 75' ' ' ILE . 0.1 OUTLIER -74.99 -33.33 61.84 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.906 -1.121 . . . . 1.72 109.857 -179.122 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.542 ' CE ' ' HB ' ' A' ' 47' ' ' THR . 0.9 OUTLIER -74.74 3.4 8.04 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.438 -0.789 . . . . 1.49 110.19 -179.447 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.538 ' CB ' ' O ' ' A' ' 50' ' ' ASP . 21.8 t-20 -124.37 17.3 9.0 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.888 -1.132 . . . . 1.87 109.993 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.537 ' CB ' ' OG1' ' A' ' 40' ' ' THR . 28.9 mmtt -79.99 -95.52 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.106 -0.996 . . . . 1.97 109.675 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 140.95 -4.68 2.41 Favored Glycine 0 N--CA 1.494 2.505 0 C-N-CA 119.645 -1.264 . . . . 0.41 110.625 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -110.03 -164.76 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 O-C-N 120.901 -1.352 . . . . 0.77 109.117 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.765 HG21 ' O ' ' A' ' 36' ' ' PHE . 4.0 m -123.93 160.86 26.61 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 107.87 -1.159 . . . . 1.01 107.87 179.274 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.629 ' CD1' ' HG ' ' A' ' 35' ' ' LEU . 96.8 m95 -73.71 83.74 1.61 Allowed 'General case' 0 C--N 1.299 -1.617 0 O-C-N 120.976 -1.077 . . . . 0.22 109.819 -179.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.73 ' C ' HD21 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -100.04 139.25 35.98 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.448 -0.945 . . . . 2.08 108.448 179.109 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.781 ' HG2' HG21 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -23.67 -42.76 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 120.99 0.424 . . . . 1.53 111.422 -179.705 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.565 ' N ' ' O ' ' A' ' 60' ' ' LYS . 2.8 mt-10 -70.69 -62.42 1.4 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.112 -0.992 . . . . 1.8 109.706 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.414 HG23 ' HG2' ' A' ' 60' ' ' LYS . 5.6 p -46.66 -55.78 7.17 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.174 -0.954 . . . . 0.38 109.601 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.736 HD11 ' HA ' ' A' ' 61' ' ' GLU . 0.2 OUTLIER -67.59 -26.51 66.3 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.963 -1.086 . . . . 0.26 108.439 179.745 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.615 ' O ' ' CG ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -58.86 -27.18 64.92 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 106.468 -1.679 . . . . 1.36 106.468 177.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.599 ' HB3' ' CZ ' ' A' ' 74' ' ' TYR . 0.3 OUTLIER -83.38 -25.67 31.16 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.821 -0.807 . . . . 2.29 108.821 179.241 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 1.044 ' CZ ' HD22 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -89.15 -67.21 0.85 Allowed 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 107.753 -1.202 . . . . 1.22 107.753 -179.681 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 1.044 HD22 ' CZ ' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -49.56 -40.06 37.12 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 120.484 -1.385 . . . . 0.66 109.989 178.49 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.615 ' CG ' ' O ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -74.78 -34.66 62.47 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.485 -1.385 . . . . 2.58 109.232 -179.562 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.515 ' CB ' ' OE2' ' A' ' 69' ' ' GLU . 1.1 t-20 -130.34 64.37 72.56 Favored Pre-proline 0 C--N 1.299 -1.614 0 N-CA-C 106.906 -1.516 . . . . 1.87 106.906 178.24 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.579 ' N ' ' O ' ' A' ' 67' ' ' TYR . 2.5 Cg_endo -61.78 -52.51 2.92 Favored 'Trans proline' 0 C--N 1.31 -1.467 0 C-N-CA 122.39 2.06 . . . . 0.25 111.487 -177.121 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.861 ' HB2' ' HB1' ' A' ' 83' ' ' ALA . 79.2 tttt -69.75 -5.44 25.23 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.97 -1.081 . . . . 3.19 109.571 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -115.14 6.25 15.06 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.142 -0.974 . . . . 2.54 109.814 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.858 ' C ' HD12 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -127.72 -49.27 1.37 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.095 -1.003 . . . . 1.37 109.714 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.858 HD12 ' C ' ' A' ' 74' ' ' TYR . 3.3 mp -159.5 -62.43 0.02 OUTLIER Pre-proline 0 N--CA 1.488 1.46 0 O-C-N 121.423 -0.798 . . . . 0.35 109.151 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 1.012 ' HB3' ' HE3' ' A' ' 80' ' ' MET . 21.6 Cg_exo -43.51 87.25 0.01 OUTLIER 'Trans proline' 0 C--N 1.319 -1.023 0 C-N-CA 121.812 1.675 . . . . 0.41 109.353 178.224 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.595 ' N ' ' O ' ' A' ' 75' ' ' ILE . . . -178.76 -37.66 0.06 OUTLIER Glycine 0 C--N 1.29 -1.994 0 N-CA-C 106.927 -2.469 . . . . 0.34 106.927 -178.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.52 ' OG1' ' N ' ' A' ' 79' ' ' LYS . 0.5 OUTLIER -65.78 -85.65 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 107.924 -1.139 . . . . 1.41 107.924 178.504 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.52 ' N ' ' OG1' ' A' ' 78' ' ' THR . 14.7 mttt -89.66 -46.17 8.82 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.617 -1.302 . . . . 1.92 108.767 178.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' MET . . . . . 1.012 ' HE3' ' HB3' ' A' ' 76' ' ' PRO . 1.3 ttp -44.7 124.91 4.56 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 108.785 -0.82 . . . . 0.68 108.785 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.873 ' CG2' HBC2 ' A' ' 105' ' ' HEC . 0.1 OUTLIER -92.03 15.5 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.668 0 N-CA-C 108.486 -0.931 . . . . 0.93 108.486 -179.835 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.591 ' CD2' ' HG2' ' A' ' 80' ' ' MET . 0.1 OUTLIER -119.81 158.4 26.66 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.658 -1.276 . . . . 1.88 109.265 178.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.861 ' HB1' ' HB2' ' A' ' 72' ' ' LYS . . . -170.18 25.88 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.228 -0.92 . . . . 1.72 110.233 -178.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.418 ' C ' HG13 ' A' ' 85' ' ' ILE . . . 171.77 167.43 31.93 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.702 -1.359 . . . . 1.32 109.702 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.881 HG21 ' CB ' ' A' ' 90' ' ' GLU . 3.2 mt -131.48 171.38 18.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.39 -1.065 . . . . 2.13 109.336 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.566 ' N ' HG22 ' A' ' 85' ' ' ILE . 3.2 tttt -48.43 -72.53 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.254 -0.904 . . . . 3.08 109.68 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.422 ' O ' ' HG3' ' A' ' 88' ' ' LYS . 88.6 mttt -74.98 -93.14 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.23 -0.919 . . . . 3.22 109.575 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 87' ' ' LYS . 1.2 mtpt -179.73 -44.13 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.139 -0.976 . . . . 3.21 109.399 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 68.4 p -69.71 -6.21 30.27 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.273 -0.892 . . . . 1.51 109.466 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.881 ' CB ' HG21 ' A' ' 85' ' ' ILE . 1.6 mm-40 -55.54 -18.28 7.1 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.258 -0.901 . . . . 2.31 109.601 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.514 ' NH1' ' HG3' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -76.75 -37.15 56.44 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.131 -0.981 . . . . 2.04 109.447 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.514 ' HG3' ' NH1' ' A' ' 91' ' ' ARG . 1.1 mt-10 -63.43 -34.27 77.37 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.186 -0.946 . . . . 1.86 109.007 179.59 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.45 ' OD2' ' HB2' ' A' ' 2' ' ' ASP . 11.8 m-20 -61.19 -37.31 82.49 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.337 -0.852 . . . . 1.14 109.52 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.94 HD21 HD11 ' A' ' 98' ' ' LEU . 0.5 OUTLIER -67.84 -34.43 76.7 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 118.836 -1.146 . . . . 0.31 108.798 179.545 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.781 HG21 ' HG2' ' A' ' 61' ' ' GLU . 3.7 mt -58.76 -21.13 18.21 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.741 0 N-CA-C 107.239 -1.393 . . . . 0.89 107.239 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.84 ' HB1' ' CG1' ' A' ' 3' ' ' VAL . . . -78.54 -35.78 45.68 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 106.405 -1.702 . . . . 0.17 106.405 177.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.905 ' OH ' HG21 ' A' ' 20' ' ' VAL . 26.3 t80 -60.63 -44.3 96.51 Favored 'General case' 0 N--CA 1.491 1.614 0 CA-C-O 121.445 0.64 . . . . 0.13 109.741 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.062 HD21 HD12 ' A' ' 32' ' ' LEU . 5.9 mt -87.97 -60.78 1.87 Allowed 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.602 -0.686 . . . . 0.12 109.817 -178.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.521 ' C ' ' O ' ' A' ' 98' ' ' LEU . 71.2 tttt -34.05 -36.54 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 108.896 -0.779 . . . . 2.03 108.896 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' A' ' 98' ' ' LEU . 0.1 OUTLIER -84.13 -48.08 10.21 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 107.929 -1.137 . . . . 2.62 107.929 178.199 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.986 ' HB1' ' HB2' ' A' ' 33' ' ' HIS . . . -61.58 -73.48 0.1 Allowed 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.049 -1.093 . . . . 0.17 108.049 178.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.621 ' OG1' ' CD1' ' A' ' 36' ' ' PHE . 4.7 p -40.27 -53.27 2.56 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 109.42 -0.585 . . . . 0.3 109.42 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 3.9 t-20 -45.33 -50.56 11.97 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.118 -0.989 . . . . 1.33 109.381 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.445 ' O ' ' O ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.518 0 CA-C-O 117.978 -1.01 . . . . 3.76 109.434 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' HEC . . . . . 0.873 HBC2 ' CG2' ' A' ' 81' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 200' ' ' HOH . . . . . 0.633 ' O ' ' HA ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 202' ' ' HOH . . . . . 0.502 ' O ' ' N ' ' A' ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 203' ' ' HOH . . . . . 0.431 ' O ' HD11 ' A' ' 35' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 205' ' ' HOH . . . . . 0.473 ' O ' HD22 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.626 ' CA ' ' HB2' ' A' ' 96' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.239 0 N-CA-C 109.479 -1.449 . . . . 0.51 109.479 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.45 ' HB2' ' OD2' ' A' ' 93' ' ' ASP . 64.7 m-20 -79.93 74.59 6.68 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.299 -1.118 . . . . 1.2 109.508 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.84 ' CG1' ' HB1' ' A' ' 96' ' ' ALA . 17.2 m -42.4 -27.84 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.331 -0.856 . . . . 0.74 108.951 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 2' ' ' ASP . 4.5 tt0 -44.08 -57.58 3.3 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.783 -0.821 . . . . 1.54 108.783 179.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.5 ' HA ' ' HB2' ' A' ' 8' ' ' LYS . 2.7 ttmt -86.26 -28.01 24.06 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.888 -0.782 . . . . 0.76 108.888 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.57 ' O ' ' HB3' ' A' ' 10' ' ' PHE . . . -46.6 -70.54 0.66 Allowed Glycine 0 N--CA 1.483 1.779 0 N-CA-C 108.064 -2.014 . . . . 0.17 108.064 179.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.682 ' O ' HG12 ' A' ' 11' ' ' VAL . 3.1 pttt -58.94 -19.82 46.33 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.515 -0.991 . . . . 1.96 109.387 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.5 ' HB2' ' HA ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -82.17 -83.55 0.12 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.171 -0.956 . . . . 1.52 109.42 -179.906 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.511 ' HA ' ' HG3' ' A' ' 12' ' ' GLN . 5.7 mm -39.73 -32.42 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 N-CA-C 108.585 -0.895 . . . . 0.67 108.585 179.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.815 ' HB2' HD12 ' A' ' 94' ' ' LEU . 11.6 t80 -68.48 -61.32 1.88 Allowed 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 107.586 -1.265 . . . . 0.16 107.586 178.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.742 ' CA ' ' HB2' ' A' ' 15' ' ' ALA . 4.7 p -72.09 5.03 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.698 -0.626 . . . . 0.17 110.57 -179.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.511 ' HG3' ' HA ' ' A' ' 9' ' ' ILE . 4.6 mm-40 -88.43 -63.0 1.36 Allowed 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 107.502 -1.295 . . . . 1.15 107.502 179.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.472 ' O ' HMC3 ' A' ' 105' ' ' HEC . 0.1 OUTLIER -100.48 -37.63 8.74 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.526 -0.734 . . . . 2.26 109.029 178.517 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.737 ' O ' ' HB2' ' A' ' 18' ' ' HIS . 3.9 m -78.03 -10.06 59.42 Favored 'General case' 0 C--O 1.197 -1.703 0 O-C-N 121.57 -0.706 . . . . 0.33 109.423 -179.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.742 ' HB2' ' CA ' ' A' ' 11' ' ' VAL . . . -65.67 -31.42 72.42 Favored 'General case' 0 C--N 1.289 -2.062 0 O-C-N 120.206 -1.559 . . . . 0.25 108.555 179.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -62.36 -68.61 0.31 Allowed 'General case' 0 C--N 1.297 -1.715 0 CA-C-O 121.399 0.619 . . . . 1.17 110.536 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.549 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 2.7 m -80.22 -13.02 59.56 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.365 -0.834 . . . . 0.28 110.194 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.796 ' CG ' HD21 ' A' ' 32' ' ' LEU . 87.4 m-70 -124.69 53.34 1.47 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.138 -0.976 . . . . 0.2 111.803 -178.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.2 p -61.01 115.23 3.58 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.176 -1.416 . . . . 0.29 107.176 177.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.905 HG21 ' OH ' ' A' ' 97' ' ' TYR . 1.7 t -80.09 93.54 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.289 -2.029 0 CA-C-O 122.047 0.927 . . . . 0.36 109.768 -178.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -150.05 -158.37 0.91 Allowed 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 108.585 -0.895 . . . . 2.34 108.585 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 23' ' ' GLY . 1.3 tttt -56.01 118.03 4.27 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.988 -1.07 . . . . 2.97 109.108 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 22' ' ' LYS . . . -41.72 -86.5 0.01 OUTLIER Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.682 -1.367 . . . . 1.52 109.682 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.534 ' O ' ' N ' ' A' ' 26' ' ' HIS . . . 60.84 -169.97 8.38 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.419 -1.472 . . . . 0.59 109.419 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 24' ' ' GLY . 4.4 mttt -45.2 95.95 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.376 -1.073 . . . . 3.06 108.544 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.614 ' CG ' ' HB3' ' A' ' 30' ' ' PRO . 8.9 m-70 -55.38 173.75 0.11 Allowed 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.443 -0.786 . . . . 0.37 110.479 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -135.36 -152.93 0.48 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.508 -0.745 . . . . 2.67 109.165 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.624 ' OG1' HMD3 ' A' ' 105' ' ' HEC . 0.0 OUTLIER -52.41 -29.21 23.12 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.114 -0.991 . . . . 0.55 109.216 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.635 ' HA3' ' CE1' ' A' ' 18' ' ' HIS . . . -143.53 115.58 0.92 Allowed Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.318 -1.513 . . . . 0.16 109.318 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.64 ' HD3' ' CE2' ' A' ' 46' ' ' PHE . 12.2 Cg_endo -74.19 145.26 34.57 Favored 'Trans proline' 0 C--N 1.312 -1.369 0 C-N-CA 122.604 2.202 . . . . 0.17 110.237 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.633 ' HA ' ' O ' ' A' ' 200' ' ' HOH . 46.3 p-10 -49.5 97.91 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 107.766 -1.198 . . . . 1.22 107.766 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.062 HD12 HD21 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -76.59 35.15 0.15 Allowed 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 120.18 -0.608 . . . . 0.18 111.635 -178.124 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.986 ' HB2' ' HB1' ' A' ' 101' ' ' ALA . 10.2 p-80 -89.58 13.38 14.15 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 107.147 -1.427 . . . . 2.12 107.147 177.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.564 ' HA2' ' HA ' ' A' ' 102' ' ' THR . . . -143.27 34.84 1.71 Allowed Glycine 0 N--CA 1.484 1.881 0 N-CA-C 107.71 -2.156 . . . . 0.13 107.71 179.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.943 HD13 ' HB2' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -63.03 -41.77 99.6 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.815 -0.815 . . . . 1.47 109.763 -179.547 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.765 ' O ' HG21 ' A' ' 58' ' ' THR . 17.3 m-85 -57.96 -18.31 22.71 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 107.911 -1.144 . . . . 1.25 107.911 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -108.81 -14.51 15.27 Favored Glycine 0 N--CA 1.485 1.956 0 N-CA-C 109.782 -1.327 . . . . 0.17 109.782 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.491 ' HB2' ' HA ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -89.4 126.56 35.6 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.085 -1.244 . . . . 1.96 109.437 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.526 ' HG3' ' CB ' ' A' ' 42' ' ' GLN . 0.3 OUTLIER -54.91 166.56 0.49 Allowed 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.233 -0.917 . . . . 1.7 108.937 179.693 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.537 ' OG1' ' CB ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -55.04 -18.76 5.71 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.131 -0.981 . . . . 0.24 108.467 179.513 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.592 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . -167.77 70.47 0.17 Allowed Glycine 0 N--CA 1.485 1.959 0 N-CA-C 109.587 -1.405 . . . . 0.25 109.587 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.526 ' CB ' ' HG3' ' A' ' 39' ' ' LYS . 29.1 tt0 -135.63 37.94 2.87 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.993 -1.298 . . . . 2.12 109.162 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 1.06 ' HB3' ' O ' ' A' ' 46' ' ' PHE . . . -64.18 122.29 76.81 Favored Pre-proline 0 N--CA 1.484 1.226 0 O-C-N 121.051 -1.03 . . . . 0.62 109.624 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.417 ' HD2' ' CD2' ' A' ' 26' ' ' HIS . 2.7 Cg_exo -52.49 112.8 0.98 Allowed 'Trans proline' 0 C--N 1.311 -1.405 0 C-N-CA 121.878 1.718 . . . . 1.48 110.068 179.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.56 -49.55 4.07 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 108.291 -1.924 . . . . 0.42 108.291 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 1.06 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.9 OUTLIER -90.1 71.27 7.35 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 108.453 -0.943 . . . . 0.28 108.453 179.049 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.542 ' HB ' ' CE ' ' A' ' 53' ' ' LYS . 18.9 p -74.93 99.47 3.84 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 120.498 -1.377 . . . . 0.3 109.074 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.675 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 86.1 m-85 -31.68 158.84 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.85 0 CA-C-N 115.214 -0.903 . . . . 0.2 112.648 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.678 HG22 ' H ' ' A' ' 51' ' ' ALA . 2.1 m -57.38 148.33 23.48 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 107.663 -1.236 . . . . 0.35 107.663 177.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.538 ' O ' ' CB ' ' A' ' 54' ' ' ASN . 3.7 m-20 -33.37 -31.63 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 121.112 0.482 . . . . 2.26 110.748 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.678 ' H ' HG22 ' A' ' 49' ' ' THR . . . -52.7 -69.38 0.12 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.155 -0.966 . . . . 0.36 110.439 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.746 ' ND2' HG21 ' A' ' 75' ' ' ILE . 2.3 m-20 -74.99 -33.33 61.84 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.906 -1.121 . . . . 1.72 109.857 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.542 ' CE ' ' HB ' ' A' ' 47' ' ' THR . 0.9 OUTLIER -74.74 3.4 8.04 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.438 -0.789 . . . . 1.49 110.19 -179.447 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.538 ' CB ' ' O ' ' A' ' 50' ' ' ASP . 21.8 t-20 -124.37 17.3 9.0 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.888 -1.132 . . . . 1.87 109.993 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.537 ' CB ' ' OG1' ' A' ' 40' ' ' THR . 28.9 mmtt -79.99 -95.52 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.106 -0.996 . . . . 1.97 109.675 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 140.95 -4.68 2.41 Favored Glycine 0 N--CA 1.494 2.505 0 C-N-CA 119.645 -1.264 . . . . 0.41 110.625 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -110.03 -164.76 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 O-C-N 120.901 -1.352 . . . . 0.77 109.117 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.765 HG21 ' O ' ' A' ' 36' ' ' PHE . 4.0 m -123.93 160.86 26.61 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 107.87 -1.159 . . . . 1.01 107.87 179.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.629 ' CD1' ' HG ' ' A' ' 35' ' ' LEU . 96.8 m95 -73.71 83.74 1.61 Allowed 'General case' 0 C--N 1.299 -1.617 0 O-C-N 120.976 -1.077 . . . . 0.22 109.819 -179.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.73 ' C ' HD21 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -100.04 139.25 35.98 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.448 -0.945 . . . . 2.08 108.448 179.109 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.781 ' HG2' HG21 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -23.67 -42.76 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 120.99 0.424 . . . . 1.53 111.422 -179.705 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.565 ' N ' ' O ' ' A' ' 60' ' ' LYS . 2.8 mt-10 -70.69 -62.42 1.4 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.112 -0.992 . . . . 1.8 109.706 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.414 HG23 ' HG2' ' A' ' 60' ' ' LYS . 5.6 p -46.66 -55.78 7.17 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.174 -0.954 . . . . 0.38 109.601 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.736 HD11 ' HA ' ' A' ' 61' ' ' GLU . 0.2 OUTLIER -67.59 -26.51 66.3 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.963 -1.086 . . . . 0.26 108.439 179.745 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.615 ' O ' ' CG ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -58.86 -27.18 64.92 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 106.468 -1.679 . . . . 1.36 106.468 177.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.599 ' HB3' ' CZ ' ' A' ' 74' ' ' TYR . 0.3 OUTLIER -83.38 -25.67 31.16 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.821 -0.807 . . . . 2.29 108.821 179.241 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 1.044 ' CZ ' HD22 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -89.15 -67.21 0.85 Allowed 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 107.753 -1.202 . . . . 1.22 107.753 -179.681 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 1.044 HD22 ' CZ ' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -49.56 -40.06 37.12 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 120.484 -1.385 . . . . 0.66 109.989 178.49 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.615 ' CG ' ' O ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -74.78 -34.66 62.47 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.485 -1.385 . . . . 2.58 109.232 -179.562 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.515 ' CB ' ' OE2' ' A' ' 69' ' ' GLU . 1.1 t-20 -130.34 64.37 72.56 Favored Pre-proline 0 C--N 1.299 -1.614 0 N-CA-C 106.906 -1.516 . . . . 1.87 106.906 178.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.579 ' N ' ' O ' ' A' ' 67' ' ' TYR . 2.5 Cg_endo -61.78 -52.51 2.92 Favored 'Trans proline' 0 C--N 1.31 -1.467 0 C-N-CA 122.39 2.06 . . . . 0.25 111.487 -177.121 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.861 ' HB2' ' HB1' ' A' ' 83' ' ' ALA . 79.2 tttt -69.75 -5.44 25.23 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.97 -1.081 . . . . 3.19 109.571 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -115.14 6.25 15.06 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.142 -0.974 . . . . 2.54 109.814 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.858 ' C ' HD12 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -127.72 -49.27 1.37 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.095 -1.003 . . . . 1.37 109.714 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.858 HD12 ' C ' ' A' ' 74' ' ' TYR . 3.3 mp -159.5 -62.43 0.02 OUTLIER Pre-proline 0 N--CA 1.488 1.46 0 O-C-N 121.423 -0.798 . . . . 0.35 109.151 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 1.012 ' HB3' ' HE3' ' A' ' 80' ' ' MET . 21.6 Cg_exo -43.51 87.25 0.01 OUTLIER 'Trans proline' 0 C--N 1.319 -1.023 0 C-N-CA 121.812 1.675 . . . . 0.41 109.353 178.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.595 ' N ' ' O ' ' A' ' 75' ' ' ILE . . . -178.76 -37.66 0.06 OUTLIER Glycine 0 C--N 1.29 -1.994 0 N-CA-C 106.927 -2.469 . . . . 0.34 106.927 -178.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.52 ' OG1' ' N ' ' A' ' 79' ' ' LYS . 0.5 OUTLIER -65.78 -85.65 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 107.924 -1.139 . . . . 1.41 107.924 178.504 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.52 ' N ' ' OG1' ' A' ' 78' ' ' THR . 14.7 mttt -89.66 -46.17 8.82 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.617 -1.302 . . . . 1.92 108.767 178.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 1.012 ' HE3' ' HB3' ' A' ' 76' ' ' PRO . 1.3 ttp -44.7 124.91 4.56 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 108.785 -0.82 . . . . 0.68 108.785 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.873 ' CG2' HBC2 ' A' ' 105' ' ' HEC . 0.1 OUTLIER -92.03 15.5 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.668 0 N-CA-C 108.486 -0.931 . . . . 0.93 108.486 -179.835 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.591 ' CD2' ' HG2' ' A' ' 80' ' ' MET . 0.1 OUTLIER -119.81 158.4 26.66 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.658 -1.276 . . . . 1.88 109.265 178.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.861 ' HB1' ' HB2' ' A' ' 72' ' ' LYS . . . -170.18 25.88 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.228 -0.92 . . . . 1.72 110.233 -178.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.418 ' C ' HG13 ' A' ' 85' ' ' ILE . . . 171.77 167.43 31.93 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.702 -1.359 . . . . 1.32 109.702 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.881 HG21 ' CB ' ' A' ' 90' ' ' GLU . 3.2 mt -131.48 171.38 18.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.39 -1.065 . . . . 2.13 109.336 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.566 ' N ' HG22 ' A' ' 85' ' ' ILE . 3.2 tttt -48.43 -72.53 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.254 -0.904 . . . . 3.08 109.68 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.422 ' O ' ' HG3' ' A' ' 88' ' ' LYS . 88.6 mttt -74.98 -93.14 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.23 -0.919 . . . . 3.22 109.575 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 87' ' ' LYS . 1.2 mtpt -179.73 -44.13 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.139 -0.976 . . . . 3.21 109.399 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 68.4 p -69.71 -6.21 30.27 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.273 -0.892 . . . . 1.51 109.466 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.881 ' CB ' HG21 ' A' ' 85' ' ' ILE . 1.6 mm-40 -55.54 -18.28 7.1 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.258 -0.901 . . . . 2.31 109.601 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.514 ' NH1' ' HG3' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -76.75 -37.15 56.44 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.131 -0.981 . . . . 2.04 109.447 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.514 ' HG3' ' NH1' ' A' ' 91' ' ' ARG . 1.1 mt-10 -63.43 -34.27 77.37 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.186 -0.946 . . . . 1.86 109.007 179.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.45 ' OD2' ' HB2' ' A' ' 2' ' ' ASP . 11.8 m-20 -61.19 -37.31 82.49 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.337 -0.852 . . . . 1.14 109.52 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.94 HD21 HD11 ' A' ' 98' ' ' LEU . 0.5 OUTLIER -67.84 -34.43 76.7 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 118.836 -1.146 . . . . 0.31 108.798 179.545 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.781 HG21 ' HG2' ' A' ' 61' ' ' GLU . 3.7 mt -58.76 -21.13 18.21 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.741 0 N-CA-C 107.239 -1.393 . . . . 0.89 107.239 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.84 ' HB1' ' CG1' ' A' ' 3' ' ' VAL . . . -78.54 -35.78 45.68 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 106.405 -1.702 . . . . 0.17 106.405 177.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.905 ' OH ' HG21 ' A' ' 20' ' ' VAL . 26.3 t80 -60.63 -44.3 96.51 Favored 'General case' 0 N--CA 1.491 1.614 0 CA-C-O 121.445 0.64 . . . . 0.13 109.741 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.062 HD21 HD12 ' A' ' 32' ' ' LEU . 5.9 mt -87.97 -60.78 1.87 Allowed 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.602 -0.686 . . . . 0.12 109.817 -178.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.521 ' C ' ' O ' ' A' ' 98' ' ' LEU . 71.2 tttt -34.05 -36.54 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 108.896 -0.779 . . . . 2.03 108.896 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' A' ' 98' ' ' LEU . 0.1 OUTLIER -84.13 -48.08 10.21 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 107.929 -1.137 . . . . 2.62 107.929 178.199 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.986 ' HB1' ' HB2' ' A' ' 33' ' ' HIS . . . -61.58 -73.48 0.1 Allowed 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.049 -1.093 . . . . 0.17 108.049 178.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.621 ' OG1' ' CD1' ' A' ' 36' ' ' PHE . 4.7 p -40.27 -53.27 2.56 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 109.42 -0.585 . . . . 0.3 109.42 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 3.9 t-20 -45.33 -50.56 11.97 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.118 -0.989 . . . . 1.33 109.381 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.445 ' O ' ' O ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.518 0 CA-C-O 117.978 -1.01 . . . . 3.76 109.434 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' HEC . . . . . 0.873 HBC2 ' CG2' ' A' ' 81' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' HOH . . . . . 0.633 ' O ' ' HA ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' HOH . . . . . 0.502 ' O ' ' N ' ' A' ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' HOH . . . . . 0.431 ' O ' HD11 ' A' ' 35' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 205' ' ' HOH . . . . . 0.473 ' O ' HD22 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_