data_1ahk_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 1ahk _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.312 0.577 . . . . 3.71 109.55 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.529 ' HA ' ' HB3' ' A' ' 17' ' ' MET . 4.7 pt20 -57.64 -178.6 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.345 -0.847 . . . . 2.8900000000000001 109.264 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.571 HG13 ' CA ' ' A' ' 22' ' ' HIS . 0.1 OUTLIER -147.32 -160.81 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.497 -0.752 . . . . 2.1499999999999999 109.564 -179.842 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.474 ' HB3' ' HB2' ' A' ' 24' ' ' SER . 0.1 OUTLIER -120.01 66.13 0.82 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.004 -1.06 . . . . 2.1600000000000001 110.237 -179.62 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.8 m -87.15 135.81 24.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.065 -1.022 . . . . 1.2 108.926 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -69.68 87.74 0.51 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.107 -0.996 . . . . 3.8399999999999999 109.578 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.468 ' HA ' ' O ' ' A' ' 119' ' ' CYS . 26.6 p30 -85.08 164.8 17.98 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.32 -0.863 . . . . 2.4199999999999999 109.252 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.51 ' N ' ' SG ' ' A' ' 119' ' ' CYS . 1.8 m -146.91 48.59 1.14 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.087 -1.008 . . . . 1.54 110.017 -179.722 -31.711 74.24 14.894 104.688 2.022 104.54 -159.335 137.128 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.516 ' CA ' ' HA ' ' A' ' 118' ' ' ALA . . . -82.17 -69.8 0.59 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.995 -1.066 . . . . 1.27 109.569 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.468 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 0.7 OUTLIER 167.48 36.67 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.934 -0.765 . . . . 3.25 108.934 -178.574 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.0 t30 49.82 28.74 2.9 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.255 -0.903 . . . . 3.8399999999999999 108.629 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 13' ' ' ILE . 10.6 mm-40 -120.54 -12.95 8.85 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.418 -0.801 . . . . 2.6800000000000002 109.906 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.526 ' CG2' ' O ' ' A' ' 40' ' ' LEU . 14.6 mt -44.24 147.25 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.037 -1.039 . . . . 1.6799999999999999 109.11 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.533 ' CD ' ' OE1' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -99.99 -19.95 16.31 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.518 -0.739 . . . . 2.54 109.445 -179.256 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.497 ' HG2' ' CE ' ' A' ' 17' ' ' MET . 0.0 OUTLIER -172.91 108.4 0.17 Allowed 'General case' 0 C--N 1.299 -1.618 0 C-N-CA 119.148 -1.021 . . . . 2.2400000000000002 110.21 -178.547 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.448 ' O ' ' HG3' ' A' ' 17' ' ' MET . 7.6 p -131.1 109.49 16.51 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.734 0 O-C-N 121.428 -0.795 . . . . 1.3200000000000001 109.221 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.529 ' HB3' ' HA ' ' A' ' 2' ' ' GLN . 0.5 OUTLIER -143.67 -171.9 3.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.334 -0.854 . . . . 2.3199999999999998 109.631 -179.826 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.657 ' CG1' ' CE1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -157.81 122.97 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 N-CA-C 108.55 -0.907 . . . . 1.8 108.55 -179.476 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.482 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 0.1 OUTLIER -62.03 86.57 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.207 -0.933 . . . . 1.73 111.017 -178.599 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.564 ' O ' ' CD1' ' A' ' 35' ' ' PHE . . . 69.18 137.25 0.08 OUTLIER Glycine 0 N--CA 1.493 2.459 0 N-CA-C 110.5 -1.04 . . . . 1.5900000000000001 110.5 178.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.544 ' CB ' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER 154.47 -37.41 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.492 -0.929 . . . . 1.45 108.492 179.65 136.069 66.577 -155.009 104.508 2.023 105.344 105.301 157.125 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.571 ' CA ' HG13 ' A' ' 3' ' ' VAL . 0.2 OUTLIER 77.71 127.21 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 CA-C-O 121.591 0.71 . . . . 3.2999999999999998 109.358 -178.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.47 ' O ' ' HB2' ' A' ' 24' ' ' SER . . . -105.88 170.4 16.91 Favored Glycine 0 N--CA 1.495 2.628 0 N-CA-C 110.134 -1.186 . . . . 1.1599999999999999 110.134 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.479 ' O ' ' O ' ' A' ' 25' ' ' ASP . 0.5 OUTLIER 70.96 -84.49 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.407 -1.055 . . . . 1.8200000000000001 109.407 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.606 ' CB ' ' CD ' ' A' ' 26' ' ' PRO . 1.0 OUTLIER -54.8 -169.18 0.0 OUTLIER Pre-proline 0 C--N 1.304 -1.404 0 N-CA-C 107.98 -1.118 . . . . 3.0800000000000001 107.98 179.05 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.606 ' CD ' ' CB ' ' A' ' 25' ' ' ASP . 30.2 Cg_endo -74.27 83.44 1.67 Allowed 'Trans proline' 0 C--N 1.309 -1.521 0 N-CA-C 108.3 -1.462 . . . . 1.1000000000000001 108.3 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 22' ' ' HIS . 0.9 OUTLIER -27.87 93.58 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 121.648 0.737 . . . . 0.97999999999999998 111.91 -177.776 157.125 105.301 -155.009 105.344 2.023 104.508 66.577 136.069 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.51 ' N ' ' O ' ' A' ' 21' ' ' CYS . 27.1 mm -90.0 135.23 26.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 N-CA-C 105.889 -1.893 . . . . 1.1899999999999999 105.889 176.371 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.534 HD11 HG22 ' A' ' 29' ' ' ILE . 0.1 OUTLIER -118.38 170.42 7.81 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.071 0 O-C-N 120.832 -1.168 . . . . 1.01 111.159 -177.459 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.507 ' N ' ' CD2' ' A' ' 30' ' ' HIS . 6.1 m-70 -113.35 161.43 17.27 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 121.707 0.765 . . . . 2.0 110.716 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.518 ' HD3' ' CA ' ' A' ' 99' ' ' PRO . 0.0 OUTLIER -103.11 165.42 11.04 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 108.655 -0.869 . . . . 4.6699999999999999 108.655 179.283 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.87 8.37 87.31 Favored Glycine 0 N--CA 1.494 2.505 0 C-N-CA 119.861 -1.161 . . . . 1.1100000000000001 110.414 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.574 ' O ' ' CG2' ' A' ' 94' ' ' VAL . 1.2 mtmm -139.27 143.73 37.51 Favored Pre-proline 0 N--CA 1.49 1.542 0 O-C-N 121.079 -1.248 . . . . 2.3599999999999999 108.58 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.482 ' O ' ' CB ' ' A' ' 19' ' ' ASP . 32.0 Cg_endo -71.98 107.7 2.28 Favored 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 122.586 2.191 . . . . 1.73 111.079 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.657 ' CE1' ' CG1' ' A' ' 18' ' ' VAL . 23.1 t80 -85.32 54.0 2.95 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.722 -0.611 . . . . 4.5199999999999996 109.373 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.482 ' O ' ' CG2' ' A' ' 36' ' ' THR . 2.4 m -69.21 84.91 0.37 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.322 -0.861 . . . . 1.52 109.786 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.526 ' HA ' ' CG1' ' A' ' 18' ' ' VAL . 1.1 pp -58.36 161.5 4.34 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.992 -1.067 . . . . 2.2799999999999998 108.585 179.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 67.6 mt-10 -157.71 -170.84 3.33 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.979 -1.075 . . . . 1.6200000000000001 110.797 -179.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 38' ' ' GLU . . . 158.81 104.79 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 107.386 -1.338 . . . . 0.77000000000000002 107.386 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.588 ' HG ' ' CB ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -101.11 175.5 5.57 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.356 -0.84 . . . . 0.84999999999999998 110.348 -178.093 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.67 ' CE2' ' CE2' ' A' ' 86' ' ' TYR . 11.3 p90 178.22 145.33 0.13 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.304 -0.872 . . . . 0.67000000000000004 108.779 178.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.507 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 11.1 t0 -96.3 117.74 31.43 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.293 -1.002 . . . . 3.1499999999999999 108.293 179.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.537 ' O ' ' HA ' ' A' ' 82' ' ' LYS . . . -42.24 119.99 1.51 Allowed 'General case' 0 C--N 1.287 -2.136 0 N-CA-C 109.205 -0.665 . . . . 0.51000000000000001 109.205 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.472 ' O ' ' HB3' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -124.36 1.44 8.4 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.431 -0.793 . . . . 2.0099999999999998 109.599 -179.361 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.611 ' O ' ' N ' ' A' ' 82' ' ' LYS . 3.1 pt20 -87.62 -141.15 0.11 Allowed 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 107.98 -1.119 . . . . 0.76000000000000001 107.98 179.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.641 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -155.29 68.27 0.67 Allowed 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.007 -1.058 . . . . 2.5699999999999998 109.772 178.518 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.528 ' CG2' ' OE1' ' A' ' 45' ' ' GLN . 6.1 t -147.77 114.36 6.01 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.108 -1.62 . . . . 1.26 111.291 -178.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.621 ' HA ' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -61.97 -18.33 60.04 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.879 -1.138 . . . . 2.8599999999999999 108.166 178.159 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.483 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 81.8 p -84.55 -163.87 0.87 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.529 -0.732 . . . . 1.5800000000000001 109.138 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.575 ' O ' ' CA ' ' A' ' 71' ' ' ASN . . . 175.59 154.25 0.17 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.249 -0.907 . . . . 0.85999999999999999 109.435 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.536 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 23.4 mtmt -124.62 -165.32 1.36 Allowed 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.081 -1.081 . . . . 1.99 108.081 178.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.1 tt -173.58 151.49 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.802 0 C-N-CA 118.809 -1.156 . . . . 1.3100000000000001 110.536 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.512 ' O ' ' NZ ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -151.64 48.78 0.81 Allowed 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.41 -0.959 . . . . 1.8400000000000001 108.41 179.503 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.689 ' O ' ' HG3' ' A' ' 55' ' ' LYS . 0.3 OUTLIER -81.95 152.04 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.479 -0.763 . . . . 1.1100000000000001 109.278 -179.71 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.689 ' HG3' ' O ' ' A' ' 54' ' ' ILE . 0.1 OUTLIER -159.62 95.4 1.21 Allowed 'General case' 0 C--N 1.295 -1.776 0 O-C-N 121.227 -0.921 . . . . 1.4099999999999999 110.131 179.076 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.539 ' CB ' ' HB ' ' A' ' 63' ' ' ILE . . . -111.53 128.03 55.9 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 108.124 -1.065 . . . . 1.74 108.124 178.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.42 122.76 43.55 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.874 -1.141 . . . . 1.8 110.119 -179.039 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.595 ' HG ' ' CZ2' ' A' ' 92' ' ' TRP . 2.7 tm? -124.68 149.91 46.69 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.504 -0.924 . . . . 3.0899999999999999 108.504 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.549 ' N ' ' CD1' ' A' ' 58' ' ' LEU . 39.7 t0 -47.42 -65.67 0.53 Allowed 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.005 -1.059 . . . . 2.73 108.991 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.512 ' O ' ' CD2' ' A' ' 61' ' ' LEU . . . -96.31 18.54 57.29 Favored Glycine 0 N--CA 1.488 2.137 0 N-CA-C 109.976 -1.25 . . . . 1.6399999999999999 109.976 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.529 ' CB ' ' HB3' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -151.72 77.19 1.22 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.981 -1.305 . . . . 2.27 108.702 179.699 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 63' ' ' ILE . 11.6 mt-10 -76.91 71.2 3.42 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.52 -0.738 . . . . 2.6600000000000001 110.753 -179.03 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.539 ' HB ' ' CB ' ' A' ' 56' ' ' ALA . 5.1 mt -51.95 161.49 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 N-CA-C 106.035 -1.839 . . . . 1.6000000000000001 106.035 178.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.476 ' O ' HG21 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -174.11 149.0 1.4 Allowed 'General case' 0 C--N 1.295 -1.763 0 O-C-N 120.665 -1.272 . . . . 2.21 109.722 -179.475 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.63 ' HB ' ' O ' ' A' ' 54' ' ' ILE . 25.2 t -143.17 67.67 17.19 Favored Pre-proline 0 C--N 1.299 -1.6 0 O-C-N 121.542 -0.724 . . . . 1.1499999999999999 109.453 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.49 ' HD3' ' N ' ' A' ' 65' ' ' VAL . 35.4 Cg_endo -79.39 1.86 8.83 Favored 'Trans proline' 0 C--N 1.301 -1.923 0 C-N-CA 123.404 2.736 . . . . 1.97 110.589 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 127.11 30.76 0.78 Allowed Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.246 -1.541 . . . . 1.6499999999999999 109.246 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -51.66 -57.11 3.78 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.345 0 O-C-N 121.372 -1.075 . . . . 2.3199999999999998 109.713 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.416 ' OD1' ' C ' ' A' ' 69' ' ' ASP . 3.0 p30 -76.79 -162.58 0.27 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.285 -0.884 . . . . 2.8300000000000001 109.453 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.425 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 17.9 p -121.89 -7.34 8.98 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.453 -0.78 . . . . 3.7799999999999998 109.037 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.575 ' CA ' ' O ' ' A' ' 50' ' ' ALA . 7.7 m-20 175.49 65.05 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.34 -0.85 . . . . 2.0299999999999998 109.337 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.547 ' O ' HG11 ' A' ' 76' ' ' VAL . . . 39.92 29.31 0.05 OUTLIER 'General case' 0 C--N 1.303 -1.452 0 CA-C-O 121.789 0.804 . . . . 0.67000000000000004 109.929 178.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.467 ' N ' ' O ' ' A' ' 71' ' ' ASN . 51.8 t -99.71 -52.54 3.43 Favored 'General case' 0 C--N 1.29 -1.988 0 N-CA-C 108.685 -0.857 . . . . 1.3200000000000001 108.685 -179.907 179.884 69.765 25.894 106.586 2.027 106.233 -116.721 -7.013 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -61.21 -13.05 15.39 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.51 -0.744 . . . . 2.5899999999999999 109.514 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.406 ' C ' HG13 ' A' ' 76' ' ' VAL . 58.0 m-85 -109.57 -22.15 12.11 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.279 -0.888 . . . . 1.5600000000000001 110.366 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.775 ' HB ' ' CE1' ' A' ' 86' ' ' TYR . 0.4 OUTLIER -155.55 179.19 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 C-N-CA 118.851 -1.14 . . . . 2.0899999999999999 111.068 -176.837 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.635 ' N ' ' CG2' ' A' ' 76' ' ' VAL . 4.5 mmmt -63.36 86.62 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.255 -1.017 . . . . 2.6699999999999999 108.255 178.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.525 ' O ' HD22 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -26.79 -57.75 0.2 Allowed Pre-proline 0 N--CA 1.505 2.293 0 N-CA-C 112.542 0.571 . . . . 1.54 112.542 -177.714 -7.013 -116.721 25.894 106.233 2.027 106.586 69.765 179.884 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.621 ' HA ' ' HA ' ' A' ' 48' ' ' LYS . 29.8 Cg_endo -74.33 105.9 2.13 Favored 'Trans proline' 0 C--N 1.299 -2.06 0 C-N-CA 120.914 1.076 . . . . 0.98999999999999999 110.012 -179.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.575 ' CD2' ' O ' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -92.83 -70.85 0.68 Allowed 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 107.03 -1.47 . . . . 2.3300000000000001 107.03 179.618 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.641 ' HB ' ' HA ' ' A' ' 46' ' ' ASN . 0.7 OUTLIER 41.96 -170.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 N-CA-C 108.913 -0.773 . . . . 1.6100000000000001 108.913 178.8 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.611 ' N ' ' O ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -102.42 43.09 1.09 Allowed 'General case' 0 C--N 1.287 -2.13 0 O-C-N 120.297 -1.502 . . . . 2.54 109.979 -177.386 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -140.33 28.89 2.44 Favored Glycine 0 C--N 1.29 -2.027 0 C-N-CA 119.301 -1.428 . . . . 0.83999999999999997 109.894 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.5 ' HG3' ' N ' ' A' ' 85' ' ' GLN . 0.1 OUTLIER -162.26 142.23 9.83 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 120.754 -1.439 . . . . 2.9199999999999999 110.289 -179.839 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.533 ' OE1' ' CD ' ' A' ' 14' ' ' LYS . 8.5 tt0 -108.19 144.55 35.47 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 106.332 -1.729 . . . . 3.0299999999999998 106.332 177.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.775 ' CE1' ' HB ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER -160.76 160.81 31.75 Favored 'General case' 0 C--N 1.302 -1.494 0 C-N-CA 117.438 -1.705 . . . . 2.2200000000000002 109.705 -178.224 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.614 ' N ' ' CD1' ' A' ' 86' ' ' TYR . 9.1 p-10 -132.7 93.95 3.31 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.745 -1.222 . . . . 1.52 114.096 -175.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.558 ' O ' ' CB ' ' A' ' 89' ' ' LYS . 0.5 OUTLIER -57.55 -164.29 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 O-C-N 120.882 -1.136 . . . . 1.75 107.985 176.175 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.592 ' O ' ' CG ' ' A' ' 90' ' ' TYR . 2.5 mttt 163.01 177.97 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.379 0 O-C-N 120.867 -1.145 . . . . 2.04 112.229 179.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.615 ' CZ ' HG22 ' A' ' 54' ' ' ILE . 64.7 m-85 -163.32 76.36 0.4 Allowed 'General case' 0 N--CA 1.504 2.263 0 N-CA-C 107.525 -1.287 . . . . 1.0900000000000001 107.525 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.492 ' O ' ' O ' ' A' ' 90' ' ' TYR . 70.9 p -47.5 -175.65 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.96 0 CA-C-O 121.535 0.683 . . . . 2.9100000000000001 111.295 -178.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.63 ' CD1' ' CG2' ' A' ' 94' ' ' VAL . 2.9 t-105 -165.36 95.47 0.65 Allowed 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 119.478 -0.889 . . . . 4.9800000000000004 111.232 -178.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -73.69 104.29 4.56 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 107.076 -1.453 . . . . 3.0699999999999998 107.076 177.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.63 ' CG2' ' CD1' ' A' ' 92' ' ' TRP . 2.6 t -99.41 114.9 65.91 Favored Pre-proline 0 N--CA 1.489 1.475 0 O-C-N 120.9 -1.125 . . . . 1.77 112.091 -177.363 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.535 ' HD2' ' CD1' ' A' ' 97' ' ' ILE . 33.3 Cg_endo -80.11 -89.14 0.0 OUTLIER 'Trans proline' 0 C--N 1.312 -1.371 0 C-N-CA 122.968 2.445 . . . . 2.0600000000000001 108.691 176.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -133.49 -47.74 0.82 Allowed 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 105.936 -1.875 . . . . 3.3500000000000001 105.936 177.693 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.571 ' CD1' HG11 ' A' ' 94' ' ' VAL . 1.6 mt 60.88 1.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.458 0 CA-C-N 115.696 -0.684 . . . . 1.3400000000000001 112.831 176.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.581 ' CB ' ' HD2' ' A' ' 99' ' ' PRO . . . 52.44 174.03 0.03 OUTLIER Pre-proline 0 C--N 1.306 -1.316 0 O-C-N 120.409 -1.432 . . . . 1.21 109.263 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.581 ' HD2' ' CB ' ' A' ' 98' ' ' ALA . 48.6 Cg_endo -79.65 149.53 21.05 Favored 'Trans proline' 0 C--N 1.298 -2.131 0 C-N-CA 123.238 2.625 . . . . 1.5700000000000001 108.801 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.631 ' HD3' ' CB ' ' A' ' 128' ' ' ARG . 3.8 mmmt 57.59 132.54 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.939 0 C-N-CA 119.339 -0.944 . . . . 2.5 111.198 177.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.509 ' CB ' ' CD1' ' A' ' 127' ' ' ILE . 43.9 t -109.99 147.49 33.4 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.11 -0.994 . . . . 1.6000000000000001 109.141 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' A' ' 103' ' ' ASN . 3.6 mt-10 -43.23 -29.05 0.36 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.264 -0.898 . . . . 3.3100000000000001 109.425 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.479 ' C ' ' CG2' ' A' ' 104' ' ' VAL . 5.6 t-20 176.57 156.92 0.27 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.398 -0.814 . . . . 2.4700000000000002 109.485 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.488 HG22 ' CD1' ' A' ' 127' ' ' ILE . 0.2 OUTLIER -155.81 162.08 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.147 -0.971 . . . . 0.93999999999999995 109.938 179.801 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 104' ' ' VAL . 0.9 OUTLIER -176.59 117.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 N-CA-C 108.725 -0.843 . . . . 1.3 108.725 179.783 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.453 HG11 ' N ' ' A' ' 107' ' ' THR . 93.3 t -109.59 148.46 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.063 -1.023 . . . . 1.1599999999999999 109.912 -179.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.52 ' O ' ' CG2' ' A' ' 108' ' ' VAL . 8.9 m -168.05 156.85 9.2 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.191 -1.041 . . . . 1.02 108.191 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.58 ' CG1' ' N ' ' A' ' 109' ' ' LYS . 2.1 t -169.41 163.38 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 O-C-N 120.709 -1.244 . . . . 1.5800000000000001 110.792 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.58 ' N ' ' CG1' ' A' ' 108' ' ' VAL . 5.7 ttpt 178.86 129.03 0.07 Allowed 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 121.506 0.67 . . . . 1.6599999999999999 109.357 179.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.592 HD21 ' CZ ' ' A' ' 41' ' ' PHE . 17.1 tp -113.25 123.59 50.53 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.21 -1.033 . . . . 1.4199999999999999 108.21 178.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.497 ' HB ' ' HB2' ' A' ' 51' ' ' LYS . 9.3 mt -123.91 113.31 36.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.261 -0.9 . . . . 1.04 110.908 -178.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.507 ' HA2' ' HA ' ' A' ' 50' ' ' ALA . . . -80.98 -107.05 0.31 Allowed Glycine 0 N--CA 1.489 2.222 0 N-CA-C 108.943 -1.663 . . . . 0.76000000000000001 108.943 178.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.457 ' HB2' ' OG1' ' A' ' 47' ' ' THR . 3.2 t0 -141.75 6.78 1.84 Allowed 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 107.766 -1.198 . . . . 1.9199999999999999 107.766 179.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.401 ' ND2' ' N ' ' A' ' 114' ' ' ASN . 0.8 OUTLIER -123.13 -18.89 6.2 Favored 'General case' 0 C--N 1.306 -1.314 0 C-N-CA 119.826 -0.75 . . . . 1.47 109.839 -179.391 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 173.93 -148.65 10.2 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.37 -1.492 . . . . 1.21 109.37 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' A' ' 118' ' ' ALA . 0.6 OUTLIER -108.94 104.1 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.192 -1.181 . . . . 0.84999999999999998 109.657 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.539 HD23 ' CB ' ' A' ' 80' ' ' LEU . 2.1 mt -52.31 -49.46 64.17 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.467 -0.771 . . . . 1.0900000000000001 110.736 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.527 ' O ' ' CG2' ' A' ' 116' ' ' VAL . . . -141.74 -174.54 4.09 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.058 -1.026 . . . . 1.1000000000000001 110.233 -178.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.51 ' SG ' ' N ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER 179.33 156.5 0.54 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.447 -0.783 . . . . 1.3999999999999999 109.441 -179.993 137.128 -159.335 14.894 104.54 2.022 104.688 74.24 -31.711 3 3 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.496 ' N ' ' SG ' ' A' ' 119' ' ' CYS . . . -173.73 127.11 0.39 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.37 -0.831 . . . . 0.91000000000000003 109.165 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 120' ' ' ALA . 2.7 mp -139.35 131.07 34.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.195 -0.941 . . . . 1.05 109.898 -179.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 123' ' ' THR . . . -112.25 83.66 1.84 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.252 -0.905 . . . . 1.5800000000000001 108.915 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 122' ' ' ALA . 0.8 OUTLIER -42.1 112.74 0.36 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.376 -0.828 . . . . 2.3300000000000001 109.941 -179.457 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.43 ' O ' ' O ' ' A' ' 123' ' ' THR . 16.4 m80 59.01 155.13 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.374 -0.829 . . . . 3.25 109.949 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.446 ' HA2' ' O ' ' A' ' 27' ' ' CYS . . . -164.2 111.38 0.46 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 108.72 -1.752 . . . . 1.28 108.72 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.48 ' O ' HD11 ' A' ' 28' ' ' ILE . 30.6 mttt -115.03 132.73 56.5 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.097 -1.237 . . . . 2.4500000000000002 110.273 -179.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.68 ' O ' ' CB ' ' A' ' 128' ' ' ARG . 2.5 mp -81.11 153.3 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 N-CA-C 108.527 -0.916 . . . . 1.0 108.527 179.068 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.68 ' CB ' ' O ' ' A' ' 127' ' ' ILE . 0.0 OUTLIER 138.85 -82.96 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.137 0 N-CA-C 108.928 -0.767 . . . . 2.6800000000000002 108.928 179.569 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.431 ' N ' ' CG ' ' A' ' 128' ' ' ARG . 38.0 t0 . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 118.016 -0.993 . . . . 4.0 109.452 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.312 0.577 . . . . 3.71 109.55 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.527 ' HA ' ' HB3' ' A' ' 17' ' ' MET . 4.7 pt20 -57.64 -178.6 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.345 -0.847 . . . . 2.89 109.264 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.844 ' CG2' HG23 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -147.32 -160.81 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.497 -0.752 . . . . 1.64 109.564 -179.842 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.491 ' HB3' ' HB2' ' A' ' 24' ' ' SER . 0.1 OUTLIER -120.01 66.13 0.82 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.004 -1.06 . . . . 2.16 110.237 -179.62 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.402 HG22 ' H ' ' A' ' 5' ' ' VAL . 6.8 m -87.15 135.81 24.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.065 -1.022 . . . . 0.9 108.926 179.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -69.68 87.74 0.51 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.107 -0.996 . . . . 3.34 109.578 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.48 ' HA ' ' O ' ' A' ' 119' ' ' CYS . 26.6 p30 -85.08 164.8 17.98 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.32 -0.863 . . . . 2.42 109.252 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.51 ' N ' ' SG ' ' A' ' 119' ' ' CYS . 1.8 m -146.91 48.59 1.14 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.087 -1.008 . . . . 1.54 110.017 -179.722 -31.711 74.24 14.894 104.688 2.022 104.54 -159.335 137.128 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.603 ' O ' ' ND2' ' A' ' 10' ' ' ASN . . . -82.17 -69.8 0.59 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.995 -1.066 . . . . 1.27 109.569 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.603 ' ND2' ' O ' ' A' ' 9' ' ' ALA . 0.7 OUTLIER 167.48 36.67 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.934 -0.765 . . . . 2.88 108.934 -178.574 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.0 t30 49.82 28.74 2.9 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.255 -0.903 . . . . 2.99 108.629 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 10' ' ' ASN . 10.6 mm-40 -120.54 -12.95 8.85 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.418 -0.801 . . . . 2.27 109.906 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 1.011 HG23 ' O ' ' A' ' 40' ' ' LEU . 14.6 mt -44.24 147.25 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.037 -1.039 . . . . 1.68 109.11 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.533 ' CD ' ' OE1' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -99.99 -19.95 16.31 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.518 -0.739 . . . . 2.14 109.445 -179.256 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.539 ' H ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -172.91 108.4 0.17 Allowed 'General case' 0 C--N 1.299 -1.618 0 C-N-CA 119.148 -1.021 . . . . 1.76 110.21 -178.547 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.658 ' O ' HG13 ' A' ' 16' ' ' VAL . 7.6 p -131.1 109.49 16.51 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.734 0 O-C-N 121.428 -0.795 . . . . 1.1 109.221 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.527 ' HB3' ' HA ' ' A' ' 2' ' ' GLN . 0.5 OUTLIER -143.67 -171.9 3.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.334 -0.854 . . . . 2.05 109.631 -179.826 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.844 HG23 ' CG2' ' A' ' 3' ' ' VAL . 0.1 OUTLIER -157.81 122.97 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 N-CA-C 108.55 -0.907 . . . . 1.18 108.55 -179.476 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.506 ' HB3' ' O ' ' A' ' 34' ' ' PRO . 0.1 OUTLIER -62.03 86.57 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.207 -0.933 . . . . 1.73 111.017 -178.599 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.564 ' O ' ' CD1' ' A' ' 35' ' ' PHE . . . 69.18 137.25 0.08 OUTLIER Glycine 0 N--CA 1.493 2.459 0 N-CA-C 110.5 -1.04 . . . . 1.59 110.5 178.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.863 ' HA ' HG23 ' A' ' 29' ' ' ILE . 0.0 OUTLIER 154.47 -37.41 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.492 -0.929 . . . . 0.95 108.492 179.65 136.069 66.577 -155.009 104.508 2.023 105.344 105.301 157.125 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.534 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 0.2 OUTLIER 77.71 127.21 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 CA-C-O 121.591 0.71 . . . . 2.9 109.358 -178.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.484 ' O ' ' HB2' ' A' ' 24' ' ' SER . . . -105.88 170.4 16.91 Favored Glycine 0 N--CA 1.495 2.628 0 N-CA-C 110.134 -1.186 . . . . 0.85 110.134 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.491 ' HB2' ' HB3' ' A' ' 4' ' ' ASP . 0.5 OUTLIER 70.96 -84.49 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.407 -1.055 . . . . 1.62 109.407 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.644 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 1.0 OUTLIER -54.8 -169.18 0.0 OUTLIER Pre-proline 0 C--N 1.304 -1.404 0 N-CA-C 107.98 -1.118 . . . . 3.08 107.98 179.05 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.644 ' HD2' ' HB2' ' A' ' 25' ' ' ASP . 30.2 Cg_endo -74.27 83.44 1.67 Allowed 'Trans proline' 0 C--N 1.309 -1.521 0 N-CA-C 108.3 -1.462 . . . . 1.0 108.3 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.515 ' HA ' ' O ' ' A' ' 22' ' ' HIS . 0.9 OUTLIER -27.87 93.58 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 121.648 0.737 . . . . 0.98 111.91 -177.776 157.125 105.301 -155.009 105.344 2.023 104.508 66.577 136.069 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.64 HG21 ' C ' ' A' ' 129' ' ' ASP . 27.1 mm -90.0 135.23 26.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 N-CA-C 105.889 -1.893 . . . . 0.9 105.889 176.371 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.863 HG23 ' HA ' ' A' ' 21' ' ' CYS . 0.1 OUTLIER -118.38 170.42 7.81 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.071 0 O-C-N 120.832 -1.168 . . . . 0.64 111.159 -177.459 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -113.35 161.43 17.27 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 121.707 0.765 . . . . 1.62 110.716 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.534 ' HD3' ' CA ' ' A' ' 99' ' ' PRO . 0.0 OUTLIER -103.11 165.42 11.04 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 108.655 -0.869 . . . . 3.97 108.655 179.283 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.87 8.37 87.31 Favored Glycine 0 N--CA 1.494 2.505 0 C-N-CA 119.861 -1.161 . . . . 0.98 110.414 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.85 ' O ' HG21 ' A' ' 94' ' ' VAL . 1.2 mtmm -139.27 143.73 37.51 Favored Pre-proline 0 N--CA 1.49 1.542 0 O-C-N 121.079 -1.248 . . . . 1.94 108.58 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.506 ' O ' ' HB3' ' A' ' 19' ' ' ASP . 32.0 Cg_endo -71.98 107.7 2.28 Favored 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 122.586 2.191 . . . . 1.52 111.079 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.84 ' CE1' HG12 ' A' ' 18' ' ' VAL . 23.1 t80 -85.32 54.0 2.95 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.722 -0.611 . . . . 3.71 109.373 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.735 HG22 ' O ' ' A' ' 36' ' ' THR . 2.4 m -69.21 84.91 0.37 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.322 -0.861 . . . . 1.38 109.786 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.753 ' HA ' HG13 ' A' ' 18' ' ' VAL . 1.1 pp -58.36 161.5 4.34 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.992 -1.067 . . . . 1.78 108.585 179.393 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.644 ' O ' ' HB2' ' A' ' 39' ' ' ALA . 67.6 mt-10 -157.71 -170.84 3.33 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.979 -1.075 . . . . 1.62 110.797 -179.358 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.644 ' HB2' ' O ' ' A' ' 38' ' ' GLU . . . 158.81 104.79 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 107.386 -1.338 . . . . 0.74 107.386 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 1.011 ' O ' HG23 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -101.11 175.5 5.57 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.356 -0.84 . . . . 0.66 110.348 -178.093 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.67 ' CE2' ' CE2' ' A' ' 86' ' ' TYR . 11.3 p90 178.22 145.33 0.13 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.304 -0.872 . . . . 0.58 108.779 178.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.541 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 11.1 t0 -96.3 117.74 31.43 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.293 -1.002 . . . . 3.15 108.293 179.426 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.71 ' HB1' ' C ' ' A' ' 80' ' ' LEU . . . -42.24 119.99 1.51 Allowed 'General case' 0 C--N 1.287 -2.136 0 N-CA-C 109.205 -0.665 . . . . 0.51 109.205 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.497 ' O ' ' HB3' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -124.36 1.44 8.4 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.431 -0.793 . . . . 2.01 109.599 -179.361 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.847 ' CD ' HD21 ' A' ' 117' ' ' LEU . 3.1 pt20 -87.62 -141.15 0.11 Allowed 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 107.98 -1.119 . . . . 0.68 107.98 179.15 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.715 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -155.29 68.27 0.67 Allowed 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.007 -1.058 . . . . 2.07 109.772 178.518 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 47' ' ' THR . 6.1 t -147.77 114.36 6.01 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.108 -1.62 . . . . 0.82 111.291 -178.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.59 ' HA ' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -61.97 -18.33 60.04 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.879 -1.138 . . . . 2.06 108.166 178.159 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.461 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 81.8 p -84.55 -163.87 0.87 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.529 -0.732 . . . . 1.27 109.138 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.898 ' CB ' ' HB3' ' A' ' 72' ' ' ALA . . . 175.59 154.25 0.17 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.249 -0.907 . . . . 0.57 109.435 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 1.044 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 23.4 mtmt -124.62 -165.32 1.36 Allowed 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.081 -1.081 . . . . 1.65 108.081 178.461 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.477 HG12 HG11 ' A' ' 65' ' ' VAL . 13.1 tt -173.58 151.49 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.802 0 C-N-CA 118.809 -1.156 . . . . 0.9 110.536 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.512 ' O ' ' NZ ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -151.64 48.78 0.81 Allowed 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.41 -0.959 . . . . 1.84 108.41 179.503 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.959 ' HB ' HG21 ' A' ' 65' ' ' VAL . 0.3 OUTLIER -81.95 152.04 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.479 -0.763 . . . . 0.88 109.278 -179.71 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.694 ' HG3' ' O ' ' A' ' 54' ' ' ILE . 0.1 OUTLIER -159.62 95.4 1.21 Allowed 'General case' 0 C--N 1.295 -1.776 0 O-C-N 121.227 -0.921 . . . . 0.96 110.131 179.076 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.911 ' HB3' ' HB ' ' A' ' 63' ' ' ILE . . . -111.53 128.03 55.9 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 108.124 -1.065 . . . . 0.77 108.124 178.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.42 122.76 43.55 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.874 -1.141 . . . . 1.34 110.119 -179.039 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 1.073 HD13 ' N ' ' A' ' 59' ' ' ASP . 2.7 tm? -124.68 149.91 46.69 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.504 -0.924 . . . . 2.6 108.504 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 1.073 ' N ' HD13 ' A' ' 58' ' ' LEU . 39.7 t0 -47.42 -65.67 0.53 Allowed 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.005 -1.059 . . . . 2.73 108.991 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.714 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -96.31 18.54 57.29 Favored Glycine 0 N--CA 1.488 2.137 0 N-CA-C 109.976 -1.25 . . . . 1.33 109.976 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.714 HD22 ' O ' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -151.72 77.19 1.22 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.981 -1.305 . . . . 1.89 108.702 179.699 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 63' ' ' ILE . 11.6 mt-10 -76.91 71.2 3.42 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.52 -0.738 . . . . 2.66 110.753 -179.03 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.911 ' HB ' ' HB3' ' A' ' 56' ' ' ALA . 5.1 mt -51.95 161.49 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 N-CA-C 106.035 -1.839 . . . . 1.19 106.035 178.208 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -174.11 149.0 1.4 Allowed 'General case' 0 C--N 1.295 -1.763 0 O-C-N 120.665 -1.272 . . . . 2.21 109.722 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.959 HG21 ' HB ' ' A' ' 54' ' ' ILE . 25.2 t -143.17 67.67 17.19 Favored Pre-proline 0 C--N 1.299 -1.6 0 O-C-N 121.542 -0.724 . . . . 1.04 109.453 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.497 ' HD3' ' N ' ' A' ' 65' ' ' VAL . 35.4 Cg_endo -79.39 1.86 8.83 Favored 'Trans proline' 0 C--N 1.301 -1.923 0 C-N-CA 123.404 2.736 . . . . 1.97 110.589 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 127.11 30.76 0.78 Allowed Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.246 -1.541 . . . . 1.45 109.246 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -51.66 -57.11 3.78 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.345 0 O-C-N 121.372 -1.075 . . . . 1.84 109.713 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.416 ' OD1' ' C ' ' A' ' 69' ' ' ASP . 3.0 p30 -76.79 -162.58 0.27 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.285 -0.884 . . . . 2.83 109.453 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.425 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 17.9 p -121.89 -7.34 8.98 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.453 -0.78 . . . . 3.07 109.037 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.575 ' CA ' ' O ' ' A' ' 50' ' ' ALA . 7.7 m-20 175.49 65.05 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.34 -0.85 . . . . 1.58 109.337 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 1.044 ' HB2' ' O ' ' A' ' 51' ' ' LYS . . . 39.92 29.31 0.05 OUTLIER 'General case' 0 C--N 1.303 -1.452 0 CA-C-O 121.789 0.804 . . . . 0.67 109.929 178.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.48 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 51.8 t -99.71 -52.54 3.43 Favored 'General case' 0 C--N 1.29 -1.988 0 N-CA-C 108.685 -0.857 . . . . 1.32 108.685 -179.907 179.884 69.765 25.894 106.586 2.027 106.233 -116.721 -7.013 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -61.21 -13.05 15.39 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.51 -0.744 . . . . 2.21 109.514 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.58 ' C ' HG12 ' A' ' 76' ' ' VAL . 58.0 m-85 -109.57 -22.15 12.11 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.279 -0.888 . . . . 1.37 110.366 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.823 HG21 ' CZ ' ' A' ' 86' ' ' TYR . 0.4 OUTLIER -155.55 179.19 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 C-N-CA 118.851 -1.14 . . . . 1.65 111.068 -176.837 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.684 ' N ' HG23 ' A' ' 76' ' ' VAL . 4.5 mmmt -63.36 86.62 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.255 -1.017 . . . . 2.33 108.255 178.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.512 ' O ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -26.79 -57.75 0.2 Allowed Pre-proline 0 N--CA 1.505 2.293 0 N-CA-C 112.542 0.571 . . . . 1.54 112.542 -177.714 -7.013 -116.721 25.894 106.233 2.027 106.586 69.765 179.884 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.59 ' HA ' ' HA ' ' A' ' 48' ' ' LYS . 29.8 Cg_endo -74.33 105.9 2.13 Favored 'Trans proline' 0 C--N 1.299 -2.06 0 C-N-CA 120.914 1.076 . . . . 0.91 110.012 -179.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 1.033 HD12 HD22 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -92.83 -70.85 0.68 Allowed 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 107.03 -1.47 . . . . 1.59 107.03 179.618 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.715 ' HB ' ' HA ' ' A' ' 46' ' ' ASN . 0.7 OUTLIER 41.96 -170.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 N-CA-C 108.913 -0.773 . . . . 1.23 108.913 178.8 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.712 ' H ' HG23 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -102.42 43.09 1.09 Allowed 'General case' 0 C--N 1.287 -2.13 0 O-C-N 120.297 -1.502 . . . . 1.91 109.979 -177.386 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -140.33 28.89 2.44 Favored Glycine 0 C--N 1.29 -2.027 0 C-N-CA 119.301 -1.428 . . . . 0.75 109.894 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.512 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.1 OUTLIER -162.26 142.23 9.83 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 120.754 -1.439 . . . . 2.56 110.289 -179.839 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.541 ' HA ' ' HA ' ' A' ' 42' ' ' ASP . 8.5 tt0 -108.19 144.55 35.47 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 106.332 -1.729 . . . . 3.03 106.332 177.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.823 ' CZ ' HG21 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -160.76 160.81 31.75 Favored 'General case' 0 C--N 1.302 -1.494 0 C-N-CA 117.438 -1.705 . . . . 1.83 109.705 -178.224 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.615 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 9.1 p-10 -132.7 93.95 3.31 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.745 -1.222 . . . . 1.52 114.096 -175.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.595 HG23 ' N ' ' A' ' 89' ' ' LYS . 0.5 OUTLIER -57.55 -164.29 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 O-C-N 120.882 -1.136 . . . . 1.33 107.985 176.175 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.595 ' N ' HG23 ' A' ' 88' ' ' ILE . 2.5 mttt 163.01 177.97 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.379 0 O-C-N 120.867 -1.145 . . . . 1.45 112.229 179.067 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.73 ' CZ ' HG21 ' A' ' 54' ' ' ILE . 64.7 m-85 -163.32 76.36 0.4 Allowed 'General case' 0 N--CA 1.504 2.263 0 N-CA-C 107.525 -1.287 . . . . 0.91 107.525 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.609 ' HA ' HG23 ' A' ' 36' ' ' THR . 70.9 p -47.5 -175.65 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.96 0 CA-C-O 121.535 0.683 . . . . 2.44 111.295 -178.287 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 1.009 ' CD1' HG23 ' A' ' 94' ' ' VAL . 2.9 t-105 -165.36 95.47 0.65 Allowed 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 119.478 -0.889 . . . . 4.22 111.232 -178.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -73.69 104.29 4.56 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 107.076 -1.453 . . . . 2.5 107.076 177.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 1.009 HG23 ' CD1' ' A' ' 92' ' ' TRP . 2.6 t -99.41 114.9 65.91 Favored Pre-proline 0 N--CA 1.489 1.475 0 O-C-N 120.9 -1.125 . . . . 1.43 112.091 -177.363 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.722 ' HD2' HD11 ' A' ' 97' ' ' ILE . 33.3 Cg_endo -80.11 -89.14 0.0 OUTLIER 'Trans proline' 0 C--N 1.312 -1.371 0 C-N-CA 122.968 2.445 . . . . 2.06 108.691 176.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.49 ' O ' ' HB2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -133.49 -47.74 0.82 Allowed 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 105.936 -1.875 . . . . 2.75 105.936 177.693 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.959 ' CD1' HG13 ' A' ' 94' ' ' VAL . 1.6 mt 60.88 1.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.458 0 CA-C-N 115.696 -0.684 . . . . 1.15 112.831 176.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.983 ' HB1' ' HD2' ' A' ' 99' ' ' PRO . . . 52.44 174.03 0.03 OUTLIER Pre-proline 0 C--N 1.306 -1.316 0 O-C-N 120.409 -1.432 . . . . 1.07 109.263 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.983 ' HD2' ' HB1' ' A' ' 98' ' ' ALA . 48.6 Cg_endo -79.65 149.53 21.05 Favored 'Trans proline' 0 C--N 1.298 -2.131 0 C-N-CA 123.238 2.625 . . . . 1.57 108.801 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.635 ' HD3' ' CB ' ' A' ' 128' ' ' ARG . 3.8 mmmt 57.59 132.54 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.939 0 C-N-CA 119.339 -0.944 . . . . 1.93 111.198 177.459 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . 1.055 ' CB ' HD13 ' A' ' 127' ' ' ILE . 43.9 t -109.99 147.49 33.4 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.11 -0.994 . . . . 1.43 109.141 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.469 ' O ' ' HB2' ' A' ' 103' ' ' ASN . 3.6 mt-10 -43.23 -29.05 0.36 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.264 -0.898 . . . . 3.31 109.425 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.479 ' C ' ' CG2' ' A' ' 104' ' ' VAL . 5.6 t-20 176.57 156.92 0.27 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.398 -0.814 . . . . 2.47 109.485 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.613 HG21 HD12 ' A' ' 127' ' ' ILE . 0.2 OUTLIER -155.81 162.08 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.147 -0.971 . . . . 0.83 109.938 179.801 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.595 ' O ' HG12 ' A' ' 105' ' ' VAL . 0.9 OUTLIER -176.59 117.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 N-CA-C 108.725 -0.843 . . . . 0.86 108.725 179.783 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.729 ' HB ' ' HB3' ' A' ' 122' ' ' ALA . 93.3 t -109.59 148.46 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.063 -1.023 . . . . 0.95 109.912 -179.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.868 ' O ' HG23 ' A' ' 108' ' ' VAL . 8.9 m -168.05 156.85 9.2 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.191 -1.041 . . . . 0.74 108.191 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.89 HG22 HG13 ' A' ' 54' ' ' ILE . 2.1 t -169.41 163.38 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 O-C-N 120.709 -1.244 . . . . 1.09 110.792 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.58 ' N ' ' CG1' ' A' ' 108' ' ' VAL . 5.7 ttpt 178.86 129.03 0.07 Allowed 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 121.506 0.67 . . . . 1.33 109.357 179.126 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.502 HD22 ' CZ ' ' A' ' 41' ' ' PHE . 17.1 tp -113.25 123.59 50.53 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.21 -1.033 . . . . 0.97 108.21 178.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.509 ' HB ' ' HB2' ' A' ' 51' ' ' LYS . 9.3 mt -123.91 113.31 36.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.261 -0.9 . . . . 0.68 110.908 -178.407 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.647 ' HA3' HG21 ' A' ' 47' ' ' THR . . . -80.98 -107.05 0.31 Allowed Glycine 0 N--CA 1.489 2.222 0 N-CA-C 108.943 -1.663 . . . . 0.76 108.943 178.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.474 ' HB2' ' OG1' ' A' ' 47' ' ' THR . 3.2 t0 -141.75 6.78 1.84 Allowed 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 107.766 -1.198 . . . . 1.92 107.766 179.196 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.431 ' ND2' ' H ' ' A' ' 46' ' ' ASN . 0.8 OUTLIER -123.13 -18.89 6.2 Favored 'General case' 0 C--N 1.306 -1.314 0 C-N-CA 119.826 -0.75 . . . . 1.47 109.839 -179.391 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 173.93 -148.65 10.2 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.37 -1.492 . . . . 1.21 109.37 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' A' ' 118' ' ' ALA . 0.6 OUTLIER -108.94 104.1 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.192 -1.181 . . . . 0.68 109.657 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 1.033 HD22 HD12 ' A' ' 80' ' ' LEU . 2.1 mt -52.31 -49.46 64.17 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.467 -0.771 . . . . 0.58 110.736 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.542 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . . . -141.74 -174.54 4.09 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.058 -1.026 . . . . 1.1 110.233 -178.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER 179.33 156.5 0.54 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.447 -0.783 . . . . 0.79 109.441 -179.993 137.128 -159.335 14.894 104.54 2.022 104.688 74.24 -31.711 3 3 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.496 ' N ' ' SG ' ' A' ' 119' ' ' CYS . . . -173.73 127.11 0.39 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.37 -0.831 . . . . 0.59 109.165 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 120' ' ' ALA . 2.7 mp -139.35 131.07 34.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.195 -0.941 . . . . 0.62 109.898 -179.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.729 ' HB3' ' HB ' ' A' ' 106' ' ' VAL . . . -112.25 83.66 1.84 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.252 -0.905 . . . . 1.58 108.915 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 122' ' ' ALA . 0.8 OUTLIER -42.1 112.74 0.36 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.376 -0.828 . . . . 1.87 109.941 -179.457 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.43 ' O ' ' O ' ' A' ' 123' ' ' THR . 16.4 m80 59.01 155.13 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.374 -0.829 . . . . 2.94 109.949 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.462 ' HA2' ' O ' ' A' ' 27' ' ' CYS . . . -164.2 111.38 0.46 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 108.72 -1.752 . . . . 1.28 108.72 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 30.6 mttt -115.03 132.73 56.5 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.097 -1.237 . . . . 2.1 110.273 -179.099 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 1.055 HD13 ' CB ' ' A' ' 101' ' ' SER . 2.5 mp -81.11 153.3 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 N-CA-C 108.527 -0.916 . . . . 0.86 108.527 179.068 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.68 ' CB ' ' O ' ' A' ' 127' ' ' ILE . 0.0 OUTLIER 138.85 -82.96 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.137 0 N-CA-C 108.928 -0.767 . . . . 2.22 108.928 179.569 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.64 ' C ' HG21 ' A' ' 28' ' ' ILE . 38.0 t0 . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 118.016 -0.993 . . . . 4.0 109.452 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.312 0.577 . . . . 3.71 109.55 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.527 ' HA ' ' HB3' ' A' ' 17' ' ' MET . 4.7 pt20 -57.64 -178.6 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.345 -0.847 . . . . 2.89 109.264 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.844 ' CG2' HG23 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -147.32 -160.81 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.497 -0.752 . . . . 1.64 109.564 -179.842 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.491 ' HB3' ' HB2' ' A' ' 24' ' ' SER . 0.1 OUTLIER -120.01 66.13 0.82 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.004 -1.06 . . . . 2.16 110.237 -179.62 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.402 HG22 ' H ' ' A' ' 5' ' ' VAL . 6.8 m -87.15 135.81 24.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.065 -1.022 . . . . 0.9 108.926 179.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -69.68 87.74 0.51 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.107 -0.996 . . . . 3.34 109.578 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.48 ' HA ' ' O ' ' A' ' 119' ' ' CYS . 26.6 p30 -85.08 164.8 17.98 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.32 -0.863 . . . . 2.42 109.252 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.51 ' N ' ' SG ' ' A' ' 119' ' ' CYS . 1.8 m -146.91 48.59 1.14 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.087 -1.008 . . . . 1.54 110.017 -179.722 -31.711 74.24 14.894 104.688 2.022 104.54 -159.335 137.128 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.542 ' HA ' ' HA ' ' A' ' 118' ' ' ALA . . . -82.17 -69.8 0.59 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.995 -1.066 . . . . 1.27 109.569 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.468 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 0.7 OUTLIER 167.48 36.67 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.934 -0.765 . . . . 2.88 108.934 -178.574 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.0 t30 49.82 28.74 2.9 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.255 -0.903 . . . . 2.99 108.629 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 10' ' ' ASN . 10.6 mm-40 -120.54 -12.95 8.85 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.418 -0.801 . . . . 2.27 109.906 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 1.011 HG23 ' O ' ' A' ' 40' ' ' LEU . 14.6 mt -44.24 147.25 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.037 -1.039 . . . . 1.68 109.11 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.533 ' CD ' ' OE1' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -99.99 -19.95 16.31 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.518 -0.739 . . . . 2.14 109.445 -179.256 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.539 ' H ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -172.91 108.4 0.17 Allowed 'General case' 0 C--N 1.299 -1.618 0 C-N-CA 119.148 -1.021 . . . . 1.76 110.21 -178.547 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.658 ' O ' HG13 ' A' ' 16' ' ' VAL . 7.6 p -131.1 109.49 16.51 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.734 0 O-C-N 121.428 -0.795 . . . . 1.1 109.221 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.527 ' HB3' ' HA ' ' A' ' 2' ' ' GLN . 0.5 OUTLIER -143.67 -171.9 3.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.334 -0.854 . . . . 2.05 109.631 -179.826 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.844 HG23 ' CG2' ' A' ' 3' ' ' VAL . 0.1 OUTLIER -157.81 122.97 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 N-CA-C 108.55 -0.907 . . . . 1.18 108.55 -179.476 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.506 ' HB3' ' O ' ' A' ' 34' ' ' PRO . 0.1 OUTLIER -62.03 86.57 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.207 -0.933 . . . . 1.73 111.017 -178.599 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.564 ' O ' ' CD1' ' A' ' 35' ' ' PHE . . . 69.18 137.25 0.08 OUTLIER Glycine 0 N--CA 1.493 2.459 0 N-CA-C 110.5 -1.04 . . . . 1.59 110.5 178.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.863 ' HA ' HG23 ' A' ' 29' ' ' ILE . 0.0 OUTLIER 154.47 -37.41 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.492 -0.929 . . . . 0.95 108.492 179.65 136.069 66.577 -155.009 104.508 2.023 105.344 105.301 157.125 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.534 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 0.2 OUTLIER 77.71 127.21 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 CA-C-O 121.591 0.71 . . . . 2.9 109.358 -178.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.484 ' O ' ' HB2' ' A' ' 24' ' ' SER . . . -105.88 170.4 16.91 Favored Glycine 0 N--CA 1.495 2.628 0 N-CA-C 110.134 -1.186 . . . . 0.85 110.134 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.491 ' HB2' ' HB3' ' A' ' 4' ' ' ASP . 0.5 OUTLIER 70.96 -84.49 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.407 -1.055 . . . . 1.62 109.407 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.644 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 1.0 OUTLIER -54.8 -169.18 0.0 OUTLIER Pre-proline 0 C--N 1.304 -1.404 0 N-CA-C 107.98 -1.118 . . . . 3.08 107.98 179.05 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.644 ' HD2' ' HB2' ' A' ' 25' ' ' ASP . 30.2 Cg_endo -74.27 83.44 1.67 Allowed 'Trans proline' 0 C--N 1.309 -1.521 0 N-CA-C 108.3 -1.462 . . . . 1.0 108.3 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.515 ' HA ' ' O ' ' A' ' 22' ' ' HIS . 0.9 OUTLIER -27.87 93.58 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 121.648 0.737 . . . . 0.98 111.91 -177.776 157.125 105.301 -155.009 105.344 2.023 104.508 66.577 136.069 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.64 HG21 ' C ' ' A' ' 129' ' ' ASP . 27.1 mm -90.0 135.23 26.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 N-CA-C 105.889 -1.893 . . . . 0.9 105.889 176.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.863 HG23 ' HA ' ' A' ' 21' ' ' CYS . 0.1 OUTLIER -118.38 170.42 7.81 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.071 0 O-C-N 120.832 -1.168 . . . . 0.64 111.159 -177.459 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.507 ' N ' ' CD2' ' A' ' 30' ' ' HIS . 6.1 m-70 -113.35 161.43 17.27 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 121.707 0.765 . . . . 1.62 110.716 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.534 ' HD3' ' CA ' ' A' ' 99' ' ' PRO . 0.0 OUTLIER -103.11 165.42 11.04 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 108.655 -0.869 . . . . 3.97 108.655 179.283 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.87 8.37 87.31 Favored Glycine 0 N--CA 1.494 2.505 0 C-N-CA 119.861 -1.161 . . . . 0.98 110.414 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.85 ' O ' HG21 ' A' ' 94' ' ' VAL . 1.2 mtmm -139.27 143.73 37.51 Favored Pre-proline 0 N--CA 1.49 1.542 0 O-C-N 121.079 -1.248 . . . . 1.94 108.58 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.506 ' O ' ' HB3' ' A' ' 19' ' ' ASP . 32.0 Cg_endo -71.98 107.7 2.28 Favored 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 122.586 2.191 . . . . 1.52 111.079 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.84 ' CE1' HG12 ' A' ' 18' ' ' VAL . 23.1 t80 -85.32 54.0 2.95 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.722 -0.611 . . . . 3.71 109.373 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.735 HG22 ' O ' ' A' ' 36' ' ' THR . 2.4 m -69.21 84.91 0.37 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.322 -0.861 . . . . 1.38 109.786 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.753 ' HA ' HG13 ' A' ' 18' ' ' VAL . 1.1 pp -58.36 161.5 4.34 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.992 -1.067 . . . . 1.78 108.585 179.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.644 ' O ' ' HB2' ' A' ' 39' ' ' ALA . 67.6 mt-10 -157.71 -170.84 3.33 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.979 -1.075 . . . . 1.62 110.797 -179.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.644 ' HB2' ' O ' ' A' ' 38' ' ' GLU . . . 158.81 104.79 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 107.386 -1.338 . . . . 0.74 107.386 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 1.011 ' O ' HG23 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -101.11 175.5 5.57 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.356 -0.84 . . . . 0.66 110.348 -178.093 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.67 ' CE2' ' CE2' ' A' ' 86' ' ' TYR . 11.3 p90 178.22 145.33 0.13 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.304 -0.872 . . . . 0.58 108.779 178.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.541 ' HA ' ' HA ' ' A' ' 85' ' ' GLN . 11.1 t0 -96.3 117.74 31.43 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.293 -1.002 . . . . 3.15 108.293 179.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.71 ' HB1' ' C ' ' A' ' 80' ' ' LEU . . . -42.24 119.99 1.51 Allowed 'General case' 0 C--N 1.287 -2.136 0 N-CA-C 109.205 -0.665 . . . . 0.51 109.205 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.497 ' O ' ' HB3' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -124.36 1.44 8.4 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.431 -0.793 . . . . 2.01 109.599 -179.361 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.847 ' CD ' HD21 ' A' ' 117' ' ' LEU . 3.1 pt20 -87.62 -141.15 0.11 Allowed 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 107.98 -1.119 . . . . 0.68 107.98 179.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.715 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -155.29 68.27 0.67 Allowed 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.007 -1.058 . . . . 2.07 109.772 178.518 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 47' ' ' THR . 6.1 t -147.77 114.36 6.01 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.108 -1.62 . . . . 0.82 111.291 -178.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.59 ' HA ' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -61.97 -18.33 60.04 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.879 -1.138 . . . . 2.06 108.166 178.159 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.461 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 81.8 p -84.55 -163.87 0.87 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.529 -0.732 . . . . 1.27 109.138 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.898 ' CB ' ' HB3' ' A' ' 72' ' ' ALA . . . 175.59 154.25 0.17 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.249 -0.907 . . . . 0.57 109.435 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 1.044 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 23.4 mtmt -124.62 -165.32 1.36 Allowed 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.081 -1.081 . . . . 1.65 108.081 178.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.477 HG12 HG11 ' A' ' 65' ' ' VAL . 13.1 tt -173.58 151.49 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.802 0 C-N-CA 118.809 -1.156 . . . . 0.9 110.536 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.512 ' O ' ' NZ ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -151.64 48.78 0.81 Allowed 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.41 -0.959 . . . . 1.84 108.41 179.503 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.959 ' HB ' HG21 ' A' ' 65' ' ' VAL . 0.3 OUTLIER -81.95 152.04 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.479 -0.763 . . . . 0.88 109.278 -179.71 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.694 ' HG3' ' O ' ' A' ' 54' ' ' ILE . 0.1 OUTLIER -159.62 95.4 1.21 Allowed 'General case' 0 C--N 1.295 -1.776 0 O-C-N 121.227 -0.921 . . . . 0.96 110.131 179.076 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.911 ' HB3' ' HB ' ' A' ' 63' ' ' ILE . . . -111.53 128.03 55.9 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 108.124 -1.065 . . . . 0.77 108.124 178.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.42 122.76 43.55 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.874 -1.141 . . . . 1.34 110.119 -179.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 1.073 HD13 ' N ' ' A' ' 59' ' ' ASP . 2.7 tm? -124.68 149.91 46.69 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.504 -0.924 . . . . 2.6 108.504 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 1.073 ' N ' HD13 ' A' ' 58' ' ' LEU . 39.7 t0 -47.42 -65.67 0.53 Allowed 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.005 -1.059 . . . . 2.73 108.991 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.714 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -96.31 18.54 57.29 Favored Glycine 0 N--CA 1.488 2.137 0 N-CA-C 109.976 -1.25 . . . . 1.33 109.976 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.714 HD22 ' O ' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -151.72 77.19 1.22 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.981 -1.305 . . . . 1.89 108.702 179.699 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 63' ' ' ILE . 11.6 mt-10 -76.91 71.2 3.42 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.52 -0.738 . . . . 2.66 110.753 -179.03 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.911 ' HB ' ' HB3' ' A' ' 56' ' ' ALA . 5.1 mt -51.95 161.49 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 N-CA-C 106.035 -1.839 . . . . 1.19 106.035 178.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -174.11 149.0 1.4 Allowed 'General case' 0 C--N 1.295 -1.763 0 O-C-N 120.665 -1.272 . . . . 2.21 109.722 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.959 HG21 ' HB ' ' A' ' 54' ' ' ILE . 25.2 t -143.17 67.67 17.19 Favored Pre-proline 0 C--N 1.299 -1.6 0 O-C-N 121.542 -0.724 . . . . 1.04 109.453 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.497 ' HD3' ' N ' ' A' ' 65' ' ' VAL . 35.4 Cg_endo -79.39 1.86 8.83 Favored 'Trans proline' 0 C--N 1.301 -1.923 0 C-N-CA 123.404 2.736 . . . . 1.97 110.589 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 127.11 30.76 0.78 Allowed Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.246 -1.541 . . . . 1.45 109.246 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -51.66 -57.11 3.78 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.345 0 O-C-N 121.372 -1.075 . . . . 1.84 109.713 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.416 ' OD1' ' C ' ' A' ' 69' ' ' ASP . 3.0 p30 -76.79 -162.58 0.27 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.285 -0.884 . . . . 2.83 109.453 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.425 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 17.9 p -121.89 -7.34 8.98 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.453 -0.78 . . . . 3.07 109.037 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.575 ' CA ' ' O ' ' A' ' 50' ' ' ALA . 7.7 m-20 175.49 65.05 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.34 -0.85 . . . . 1.58 109.337 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 1.044 ' HB2' ' O ' ' A' ' 51' ' ' LYS . . . 39.92 29.31 0.05 OUTLIER 'General case' 0 C--N 1.303 -1.452 0 CA-C-O 121.789 0.804 . . . . 0.67 109.929 178.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.48 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 51.8 t -99.71 -52.54 3.43 Favored 'General case' 0 C--N 1.29 -1.988 0 N-CA-C 108.685 -0.857 . . . . 1.32 108.685 -179.907 179.884 69.765 25.894 106.586 2.027 106.233 -116.721 -7.013 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -61.21 -13.05 15.39 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.51 -0.744 . . . . 2.21 109.514 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.58 ' C ' HG12 ' A' ' 76' ' ' VAL . 58.0 m-85 -109.57 -22.15 12.11 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.279 -0.888 . . . . 1.37 110.366 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.823 HG21 ' CZ ' ' A' ' 86' ' ' TYR . 0.4 OUTLIER -155.55 179.19 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 C-N-CA 118.851 -1.14 . . . . 1.65 111.068 -176.837 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.684 ' N ' HG23 ' A' ' 76' ' ' VAL . 4.5 mmmt -63.36 86.62 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.255 -1.017 . . . . 2.33 108.255 178.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.512 ' O ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -26.79 -57.75 0.2 Allowed Pre-proline 0 N--CA 1.505 2.293 0 N-CA-C 112.542 0.571 . . . . 1.54 112.542 -177.714 -7.013 -116.721 25.894 106.233 2.027 106.586 69.765 179.884 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.59 ' HA ' ' HA ' ' A' ' 48' ' ' LYS . 29.8 Cg_endo -74.33 105.9 2.13 Favored 'Trans proline' 0 C--N 1.299 -2.06 0 C-N-CA 120.914 1.076 . . . . 0.91 110.012 -179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 1.033 HD12 HD22 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -92.83 -70.85 0.68 Allowed 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 107.03 -1.47 . . . . 1.59 107.03 179.618 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.715 ' HB ' ' HA ' ' A' ' 46' ' ' ASN . 0.7 OUTLIER 41.96 -170.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 N-CA-C 108.913 -0.773 . . . . 1.23 108.913 178.8 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.712 ' H ' HG23 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -102.42 43.09 1.09 Allowed 'General case' 0 C--N 1.287 -2.13 0 O-C-N 120.297 -1.502 . . . . 1.91 109.979 -177.386 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -140.33 28.89 2.44 Favored Glycine 0 C--N 1.29 -2.027 0 C-N-CA 119.301 -1.428 . . . . 0.75 109.894 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.512 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.1 OUTLIER -162.26 142.23 9.83 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 120.754 -1.439 . . . . 2.56 110.289 -179.839 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.541 ' HA ' ' HA ' ' A' ' 42' ' ' ASP . 8.5 tt0 -108.19 144.55 35.47 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 106.332 -1.729 . . . . 3.03 106.332 177.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.823 ' CZ ' HG21 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -160.76 160.81 31.75 Favored 'General case' 0 C--N 1.302 -1.494 0 C-N-CA 117.438 -1.705 . . . . 1.83 109.705 -178.224 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.615 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 9.1 p-10 -132.7 93.95 3.31 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.745 -1.222 . . . . 1.52 114.096 -175.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.595 HG23 ' N ' ' A' ' 89' ' ' LYS . 0.5 OUTLIER -57.55 -164.29 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 O-C-N 120.882 -1.136 . . . . 1.33 107.985 176.175 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.595 ' N ' HG23 ' A' ' 88' ' ' ILE . 2.5 mttt 163.01 177.97 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.379 0 O-C-N 120.867 -1.145 . . . . 1.45 112.229 179.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.73 ' CZ ' HG21 ' A' ' 54' ' ' ILE . 64.7 m-85 -163.32 76.36 0.4 Allowed 'General case' 0 N--CA 1.504 2.263 0 N-CA-C 107.525 -1.287 . . . . 0.91 107.525 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.609 ' HA ' HG23 ' A' ' 36' ' ' THR . 70.9 p -47.5 -175.65 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.96 0 CA-C-O 121.535 0.683 . . . . 2.44 111.295 -178.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 1.009 ' CD1' HG23 ' A' ' 94' ' ' VAL . 2.9 t-105 -165.36 95.47 0.65 Allowed 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 119.478 -0.889 . . . . 4.22 111.232 -178.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -73.69 104.29 4.56 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 107.076 -1.453 . . . . 2.5 107.076 177.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 1.009 HG23 ' CD1' ' A' ' 92' ' ' TRP . 2.6 t -99.41 114.9 65.91 Favored Pre-proline 0 N--CA 1.489 1.475 0 O-C-N 120.9 -1.125 . . . . 1.43 112.091 -177.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.722 ' HD2' HD11 ' A' ' 97' ' ' ILE . 33.3 Cg_endo -80.11 -89.14 0.0 OUTLIER 'Trans proline' 0 C--N 1.312 -1.371 0 C-N-CA 122.968 2.445 . . . . 2.06 108.691 176.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.49 ' O ' ' HB2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -133.49 -47.74 0.82 Allowed 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 105.936 -1.875 . . . . 2.75 105.936 177.693 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.959 ' CD1' HG13 ' A' ' 94' ' ' VAL . 1.6 mt 60.88 1.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.458 0 CA-C-N 115.696 -0.684 . . . . 1.15 112.831 176.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.983 ' HB1' ' HD2' ' A' ' 99' ' ' PRO . . . 52.44 174.03 0.03 OUTLIER Pre-proline 0 C--N 1.306 -1.316 0 O-C-N 120.409 -1.432 . . . . 1.07 109.263 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.983 ' HD2' ' HB1' ' A' ' 98' ' ' ALA . 48.6 Cg_endo -79.65 149.53 21.05 Favored 'Trans proline' 0 C--N 1.298 -2.131 0 C-N-CA 123.238 2.625 . . . . 1.57 108.801 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.635 ' HD3' ' CB ' ' A' ' 128' ' ' ARG . 3.8 mmmt 57.59 132.54 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.939 0 C-N-CA 119.339 -0.944 . . . . 1.93 111.198 177.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 1.055 ' CB ' HD13 ' A' ' 127' ' ' ILE . 43.9 t -109.99 147.49 33.4 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.11 -0.994 . . . . 1.43 109.141 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.469 ' O ' ' HB2' ' A' ' 103' ' ' ASN . 3.6 mt-10 -43.23 -29.05 0.36 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.264 -0.898 . . . . 3.31 109.425 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.479 ' C ' ' CG2' ' A' ' 104' ' ' VAL . 5.6 t-20 176.57 156.92 0.27 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.398 -0.814 . . . . 2.47 109.485 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.613 HG21 HD12 ' A' ' 127' ' ' ILE . 0.2 OUTLIER -155.81 162.08 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.147 -0.971 . . . . 0.83 109.938 179.801 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.595 ' O ' HG12 ' A' ' 105' ' ' VAL . 0.9 OUTLIER -176.59 117.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 N-CA-C 108.725 -0.843 . . . . 0.86 108.725 179.783 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.729 ' HB ' ' HB3' ' A' ' 122' ' ' ALA . 93.3 t -109.59 148.46 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.063 -1.023 . . . . 0.95 109.912 -179.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.868 ' O ' HG23 ' A' ' 108' ' ' VAL . 8.9 m -168.05 156.85 9.2 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.191 -1.041 . . . . 0.74 108.191 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.89 HG22 HG13 ' A' ' 54' ' ' ILE . 2.1 t -169.41 163.38 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 O-C-N 120.709 -1.244 . . . . 1.09 110.792 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.58 ' N ' ' CG1' ' A' ' 108' ' ' VAL . 5.7 ttpt 178.86 129.03 0.07 Allowed 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 121.506 0.67 . . . . 1.33 109.357 179.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.502 HD22 ' CZ ' ' A' ' 41' ' ' PHE . 17.1 tp -113.25 123.59 50.53 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.21 -1.033 . . . . 0.97 108.21 178.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.509 ' HB ' ' HB2' ' A' ' 51' ' ' LYS . 9.3 mt -123.91 113.31 36.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.261 -0.9 . . . . 0.68 110.908 -178.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.647 ' HA3' HG21 ' A' ' 47' ' ' THR . . . -80.98 -107.05 0.31 Allowed Glycine 0 N--CA 1.489 2.222 0 N-CA-C 108.943 -1.663 . . . . 0.76 108.943 178.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.474 ' HB2' ' OG1' ' A' ' 47' ' ' THR . 3.2 t0 -141.75 6.78 1.84 Allowed 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 107.766 -1.198 . . . . 1.92 107.766 179.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.431 ' ND2' ' H ' ' A' ' 46' ' ' ASN . 0.8 OUTLIER -123.13 -18.89 6.2 Favored 'General case' 0 C--N 1.306 -1.314 0 C-N-CA 119.826 -0.75 . . . . 1.47 109.839 -179.391 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 173.93 -148.65 10.2 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.37 -1.492 . . . . 1.21 109.37 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' A' ' 118' ' ' ALA . 0.6 OUTLIER -108.94 104.1 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.192 -1.181 . . . . 0.68 109.657 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 1.033 HD22 HD12 ' A' ' 80' ' ' LEU . 2.1 mt -52.31 -49.46 64.17 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.467 -0.771 . . . . 0.58 110.736 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.542 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . . . -141.74 -174.54 4.09 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.058 -1.026 . . . . 1.1 110.233 -178.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER 179.33 156.5 0.54 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.447 -0.783 . . . . 0.79 109.441 -179.993 137.128 -159.335 14.894 104.54 2.022 104.688 74.24 -31.711 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.496 ' N ' ' SG ' ' A' ' 119' ' ' CYS . . . -173.73 127.11 0.39 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.37 -0.831 . . . . 0.59 109.165 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 120' ' ' ALA . 2.7 mp -139.35 131.07 34.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.195 -0.941 . . . . 0.62 109.898 -179.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.729 ' HB3' ' HB ' ' A' ' 106' ' ' VAL . . . -112.25 83.66 1.84 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.252 -0.905 . . . . 1.58 108.915 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 122' ' ' ALA . 0.8 OUTLIER -42.1 112.74 0.36 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.376 -0.828 . . . . 1.87 109.941 -179.457 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.43 ' O ' ' O ' ' A' ' 123' ' ' THR . 16.4 m80 59.01 155.13 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.374 -0.829 . . . . 2.94 109.949 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.462 ' HA2' ' O ' ' A' ' 27' ' ' CYS . . . -164.2 111.38 0.46 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 108.72 -1.752 . . . . 1.28 108.72 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 30.6 mttt -115.03 132.73 56.5 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.097 -1.237 . . . . 2.1 110.273 -179.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 1.055 HD13 ' CB ' ' A' ' 101' ' ' SER . 2.5 mp -81.11 153.3 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 N-CA-C 108.527 -0.916 . . . . 0.86 108.527 179.068 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.68 ' CB ' ' O ' ' A' ' 127' ' ' ILE . 0.0 OUTLIER 138.85 -82.96 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.137 0 N-CA-C 108.928 -0.767 . . . . 2.22 108.928 179.569 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.64 ' C ' HG21 ' A' ' 28' ' ' ILE . 38.0 t0 . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 118.016 -0.993 . . . . 4.0 109.452 -179.992 . . . . . . . . 1 1 . 1 stop_ save_