data_3aiy_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 3aiy _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.407 0 N-CA-C 109.553 -1.419 . . . . 40.0 109.553 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.3 tt -129.52 -42.29 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.307 -1.113 . . . . 40.0 109.195 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 24.4 t -64.43 -59.51 4.11 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 O-C-N 121.427 -0.796 . . . . 40.0 109.501 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -62.4 -16.89 57.48 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.404 -0.81 . . . . 40.0 110.412 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -90.38 -39.01 12.93 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.929 -1.107 . . . . 40.0 110.727 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.0 m -99.22 -16.74 18.43 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.962 -1.086 . . . . 17.699999999999999 111.243 -178.402 -55.074 -41.874 -90.608 104.779 2.022 104.17 131.951 -75.369 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.8 t -96.47 24.08 6.21 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 119.101 -1.039 . . . . 37.899999999999999 109.66 179.394 -169.677 96.965 113.904 105.132 2.017 101.318 175.588 -171.981 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.3 p -113.91 -44.19 3.19 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.877 -1.14 . . . . 40.0 107.957 178.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 m -151.46 27.65 0.66 Allowed 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.979 -0.748 . . . . 40.0 108.979 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.5 mp 62.77 132.54 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 CA-C-O 121.615 0.721 . . . . 40.0 110.319 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 55.8 m -84.92 172.48 11.33 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.893 -0.78 . . . . 22.280000000000001 108.893 179.478 -75.369 131.951 -90.608 104.17 2.022 104.779 -41.874 -55.074 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.0 m -90.11 161.09 15.95 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.226 -0.921 . . . . 40.0 109.252 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.0 tt -54.99 -42.54 72.58 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.341 -0.849 . . . . 40.0 109.825 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -68.98 -35.54 76.85 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.053 -1.029 . . . . 40.0 109.91 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -63.69 -34.98 79.07 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.262 -0.899 . . . . 40.0 109.77 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.9 mt -68.35 -34.66 76.49 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.209 -0.932 . . . . 40.0 109.884 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -57.42 -35.32 69.92 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.203 -0.936 . . . . 40.0 110.181 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -53.9 -32.22 52.6 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.063 -1.023 . . . . 40.0 109.872 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -89.42 -12.99 38.67 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.223 -0.923 . . . . 40.0 110.362 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 t -55.6 155.94 5.18 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 120.803 -1.186 . . . . 40.0 109.694 -179.971 -157.12 78.22 171.54 104.062 2.017 103.7 -93.72 -71.031 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 . . . . . 0 C--N 1.302 -1.475 0 CA-C-O 118.006 -0.997 . . . . 40.0 109.452 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 11.3 p90 . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.487 -0.56 . . . . 40.0 109.487 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.428 HG22 ' CD2' ' B' ' 6' ' ' LEU . 21.0 m -48.46 102.11 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 121.096 -1.002 . . . . 40.0 110.78 -179.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . 0.412 ' O ' ' N ' ' B' ' 5' ' ' HIS . 1.3 m-80 -108.58 -169.34 1.48 Allowed 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.518 -0.739 . . . . 40.0 109.224 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 59.91 -84.86 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.455 -0.778 . . . . 40.0 109.771 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.412 ' N ' ' O ' ' B' ' 3' ' ' ASN . 29.3 t60 -55.11 -21.45 12.96 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.886 -1.134 . . . . 40.0 110.2 -179.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.428 ' CD2' HG22 ' B' ' 2' ' ' VAL . 1.0 OUTLIER -113.62 -25.11 8.86 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.227 -0.921 . . . . 40.0 109.516 179.795 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 37.5 t -79.63 -47.88 14.69 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.389 -0.819 . . . . 40.0 110.424 -179.342 -171.981 175.588 113.904 101.318 2.017 105.132 96.965 -169.677 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.17 -37.75 55.14 Favored Glycine 0 N--CA 1.488 2.166 0 N-CA-C 111.059 -0.816 . . . . 23.260000000000002 111.059 -178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' SER . . . . . 0.424 ' CB ' ' OH ' ' D' ' 16' ' ' TYR . 1.0 OUTLIER -51.62 -27.62 11.84 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.031 -1.276 . . . . 40.0 110.718 -179.111 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -102.17 -18.46 15.52 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 119.383 -0.927 . . . . 40.0 110.77 -178.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.415 ' CD2' ' H3 ' ' A' ' 22' ' ' IPH . 49.4 mt -69.15 -37.15 78.11 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 106.893 -1.521 . . . . 40.0 106.893 177.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.414 HG23 ' CG2' ' D' ' 12' ' ' VAL . 34.2 m -66.1 -34.89 73.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 CA-C-O 121.183 0.516 . . . . 40.0 109.822 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -57.08 -42.36 80.54 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.107 -0.996 . . . . 40.0 109.172 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.77 -29.8 45.27 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.2 -0.937 . . . . 40.0 109.289 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 14.0 mt -57.8 -65.0 0.71 Allowed 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.33 -0.856 . . . . 40.0 110.137 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.484 ' HB3' ' CE1' ' B' ' 24' ' ' PHE . 0.1 OUTLIER -68.62 -11.41 60.03 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 119.057 -1.057 . . . . 40.0 110.719 -178.607 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 tp -74.37 -40.06 62.35 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 106.652 -1.61 . . . . 40.0 106.652 176.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.7 t -73.33 -35.52 46.58 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 N-CA-C 108.56 -0.904 . . . . 40.0 108.56 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 77.9 m -75.63 -28.37 58.79 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.475 -0.766 . . . . 40.0 109.218 179.712 -71.031 -93.72 171.54 103.7 2.017 104.062 78.22 -157.12 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.78 -108.17 2.49 Favored Glycine 0 N--CA 1.487 2.073 0 N-CA-C 109.535 -1.426 . . . . 40.0 109.535 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -87.93 -22.32 24.41 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.318 -1.107 . . . . 40.0 109.727 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 19.1 mtm180 -61.35 173.4 0.9 Allowed 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.125 -0.985 . . . . 40.0 109.825 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -118.44 -174.92 16.41 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.308 -1.517 . . . . 40.0 109.308 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . 0.484 ' CE1' ' HB3' ' B' ' 16' ' ' TYR . 12.2 p90 -159.95 159.98 32.9 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.155 -1.203 . . . . 40.0 109.786 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -105.71 123.98 48.82 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.488 -0.93 . . . . 40.0 108.488 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -112.94 116.34 29.83 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.286 -0.884 . . . . 40.0 109.936 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.4 p -124.65 97.28 39.37 Favored Pre-proline 0 N--CA 1.489 1.475 0 O-C-N 121.318 -0.863 . . . . 40.0 109.201 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -79.87 60.63 7.91 Favored 'Trans proline' 0 C--O 1.213 -0.74 0 C-N-CA 121.402 1.401 . . . . 40.0 109.77 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -153.65 106.05 2.86 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.367 -0.833 . . . . 40.0 109.358 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 118.024 -0.988 . . . . 40.0 109.439 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.428 0 N-CA-C 109.403 -1.479 . . . . 40.0 109.403 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 12.2 tt -129.19 -42.41 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.242 -1.152 . . . . 40.0 109.125 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 24.7 t -64.26 -59.12 4.71 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 O-C-N 121.379 -0.826 . . . . 40.0 109.52 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -62.78 -17.1 60.58 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.496 -0.752 . . . . 40.0 110.413 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -90.17 -39.19 12.99 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.853 -1.154 . . . . 40.0 110.712 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 59.2 m -98.94 -17.04 18.55 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.012 -1.055 . . . . 17.699999999999999 111.22 -178.359 -55.157 -41.855 -90.487 104.777 2.023 104.189 131.973 -75.684 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 26.5 t -96.12 23.99 6.03 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 119.126 -1.03 . . . . 37.899999999999999 109.688 179.416 -169.644 96.865 114.087 105.141 2.018 101.34 175.588 -172.283 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 4.3 p -114.0 -44.41 3.16 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.863 -1.162 . . . . 40.0 107.863 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 1.3 m -151.3 27.9 0.66 Allowed 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.863 -0.792 . . . . 40.0 108.863 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 4.5 mp 62.6 132.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 CA-C-O 121.671 0.748 . . . . 40.0 110.26 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 54.5 m -85.07 172.62 11.12 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.915 -0.772 . . . . 22.280000000000001 108.915 179.418 -75.684 131.973 -90.487 104.189 2.023 104.777 -41.855 -55.157 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 40.6 m -90.11 161.02 15.98 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.315 -0.865 . . . . 40.0 109.136 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 7.9 tt -54.76 -42.7 71.98 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.394 -0.816 . . . . 40.0 109.862 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -68.81 -35.25 76.77 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.042 -1.036 . . . . 40.0 110.026 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -64.13 -34.42 78.03 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.185 -0.947 . . . . 40.0 109.803 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 92.3 mt -68.63 -34.78 76.34 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.23 -0.919 . . . . 40.0 109.907 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -57.53 -35.3 70.11 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.174 -0.954 . . . . 40.0 110.108 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -53.96 -31.85 51.91 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.025 -1.047 . . . . 40.0 109.95 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -89.69 -13.19 37.48 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.254 -0.904 . . . . 40.0 110.439 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 4.8 t -55.54 156.11 4.92 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.769 -1.207 . . . . 40.0 109.7 -179.881 -157.356 78.8 171.023 103.905 2.016 103.604 -93.863 -71.041 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 . . . . . 0 C--N 1.3 -1.545 0 CA-C-O 117.955 -1.021 . . . . 40.0 109.6 -179.895 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 11.1 p90 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.538 -0.542 . . . . 40.0 109.538 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 2' ' ' VAL . . . . . 0.43 HG22 ' CD2' ' D' ' 6' ' ' LEU . 22.7 m -48.46 101.76 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.117 0 O-C-N 121.038 -1.039 . . . . 40.0 110.762 -179.131 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 3' ' ' ASN . . . . . 0.418 ' O ' ' N ' ' D' ' 5' ' ' HIS . 1.3 m-80 -108.45 -169.31 1.48 Allowed 'General case' 0 C--N 1.299 -1.621 0 C-N-CA 119.797 -0.761 . . . . 40.0 109.221 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 59.89 -84.73 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.461 -0.774 . . . . 40.0 109.781 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 5' ' ' HIS . . . . . 0.418 ' N ' ' O ' ' D' ' 3' ' ' ASN . 29.7 t60 -55.15 -21.42 13.29 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.034 -1.041 . . . . 40.0 110.282 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . 0.43 ' CD2' HG22 ' D' ' 2' ' ' VAL . 1.0 OUTLIER -113.78 -25.07 8.82 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.204 -0.935 . . . . 40.0 109.45 179.904 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 38.5 t -79.69 -47.81 14.72 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.34 -0.85 . . . . 40.0 110.32 -179.226 -172.283 175.588 114.087 101.34 2.018 105.141 96.865 -169.644 1 1 . 1 . 001 nuclear orig full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.97 -38.39 55.23 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 111.064 -0.814 . . . . 23.260000000000002 111.064 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 9' ' ' SER . . . . . 0.419 ' CB ' ' OH ' ' B' ' 16' ' ' TYR . 1.0 OUTLIER -51.1 -27.8 9.14 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.076 -1.25 . . . . 40.0 110.802 -178.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 36.8 m-70 -102.03 -18.52 15.58 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.227 -0.92 . . . . 40.0 110.694 -178.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 11' ' ' LEU . . . . . 0.423 ' CD2' ' H3 ' ' C' ' 22' ' ' IPH . 51.1 mt -69.01 -37.41 78.66 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 106.936 -1.505 . . . . 40.0 106.936 177.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . 0.414 ' CG2' HG23 ' B' ' 12' ' ' VAL . 34.1 m -66.05 -34.77 72.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 CA-C-O 121.204 0.526 . . . . 40.0 109.798 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -56.71 -42.71 79.63 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.044 -1.035 . . . . 40.0 109.251 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.5 -29.76 46.84 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.179 -0.951 . . . . 40.0 109.369 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 14.2 mt -57.87 -64.98 0.72 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.271 -0.893 . . . . 40.0 110.19 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 16' ' ' TYR . . . . . 0.483 ' HB3' ' CE1' ' D' ' 24' ' ' PHE . 0.1 OUTLIER -68.75 -11.37 60.22 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 119.003 -1.079 . . . . 40.0 110.688 -178.626 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 tp -74.27 -40.1 62.54 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 106.67 -1.604 . . . . 40.0 106.67 176.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 72.4 t -73.41 -35.03 44.75 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.304 0 N-CA-C 108.667 -0.864 . . . . 40.0 108.667 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 77.8 m -76.02 -28.78 57.87 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.441 -0.787 . . . . 40.0 109.096 179.762 -71.041 -93.863 171.023 103.604 2.016 103.905 78.8 -157.356 1 1 . 1 . 001 nuclear orig full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.08 -107.93 2.44 Favored Glycine 0 N--CA 1.489 2.187 0 N-CA-C 109.515 -1.434 . . . . 40.0 109.515 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -87.92 -22.46 24.35 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.308 -1.113 . . . . 40.0 109.622 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 -61.63 173.23 1.02 Allowed 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.164 -0.96 . . . . 40.0 109.853 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . -118.21 -174.57 16.44 Favored Glycine 0 N--CA 1.489 2.195 0 N-CA-C 109.446 -1.462 . . . . 40.0 109.446 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 24' ' ' PHE . . . . . 0.483 ' CE1' ' HB3' ' D' ' 16' ' ' TYR . 11.8 p90 -160.41 159.68 31.31 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.264 -1.139 . . . . 40.0 109.837 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -105.78 123.94 48.77 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.464 -0.939 . . . . 40.0 108.464 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -112.98 115.85 29.04 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.319 -0.863 . . . . 40.0 109.92 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 2.4 p -124.08 97.04 41.3 Favored Pre-proline 0 C--N 1.303 -1.429 0 O-C-N 121.279 -0.888 . . . . 40.0 109.246 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 28' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -79.62 60.37 7.79 Favored 'Trans proline' 0 C--O 1.215 -0.642 0 C-N-CA 121.438 1.425 . . . . 40.0 109.774 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -153.45 106.52 2.95 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.302 -0.874 . . . . 40.0 109.323 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 117.974 -1.012 . . . . 40.0 109.199 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.332 0 N-CA-C 109.511 -1.436 . . . . 40.0 109.511 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 12.2 tt -129.16 -42.47 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.221 -1.164 . . . . 40.0 109.122 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 23.5 t -64.19 -59.77 3.75 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 O-C-N 121.433 -0.792 . . . . 40.0 109.433 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 -62.18 -17.26 57.54 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.503 -0.748 . . . . 40.0 110.441 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -90.07 -39.56 12.83 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.849 -1.157 . . . . 40.0 110.63 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 59.0 m -98.51 -17.05 18.93 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.985 -1.072 . . . . 17.699999999999999 111.363 -178.298 -55.068 -42.004 -90.38 104.735 2.024 104.271 132.001 -75.66 1 1 . 1 . 001 nuclear orig full ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 25.6 t -95.95 22.95 6.82 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 119.114 -1.034 . . . . 37.899999999999999 109.764 179.435 -169.532 96.849 114.29 105.088 2.016 101.428 175.172 -172.282 1 1 . 1 . 001 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 4.3 p -112.95 -43.86 3.36 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 120.806 -1.184 . . . . 40.0 107.989 178.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 9' ' ' SER . . . . . 0.405 ' N ' HG13 ' J' ' 2' ' ' VAL . 1.4 m -151.78 28.08 0.62 Allowed 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.865 -0.791 . . . . 40.0 108.865 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 10' ' ' ILE . . . . . . . . . . . . . 4.5 mp 62.46 132.75 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 CA-C-O 121.763 0.792 . . . . 40.0 110.373 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 54.7 m -85.05 172.77 11.02 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.451 -0.781 . . . . 22.280000000000001 108.955 179.403 -75.66 132.001 -90.38 104.271 2.024 104.735 -42.004 -55.068 1 1 . 1 . 001 nuclear orig full ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 43.4 m -90.15 161.17 15.88 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.227 -0.921 . . . . 40.0 109.162 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 8.1 tt -55.22 -42.27 73.13 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.297 -0.877 . . . . 40.0 109.832 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -69.26 -35.27 75.91 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.046 -1.034 . . . . 40.0 109.935 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -63.86 -34.75 78.63 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.23 -0.919 . . . . 40.0 109.634 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 92.8 mt -68.52 -34.24 75.53 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.221 -0.924 . . . . 40.0 109.852 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -57.87 -35.12 70.53 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.222 -0.924 . . . . 40.0 110.123 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -54.17 -31.98 54.18 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.98 -1.075 . . . . 40.0 109.869 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -89.56 -12.99 38.27 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.257 -0.902 . . . . 40.0 110.394 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 t -55.78 155.76 5.64 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.685 -1.26 . . . . 40.0 109.645 -179.909 -157.111 78.881 171.292 103.899 2.018 103.645 -94.058 -71.183 1 1 . 1 . 001 nuclear orig full ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 . . . . . 0 C--N 1.301 -1.519 0 CA-C-O 117.985 -1.007 . . . . 40.0 109.543 -179.933 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 10.9 p90 . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.351 -0.611 . . . . 40.0 109.351 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' F' F ' 2' ' ' VAL . . . . . 0.425 HG22 ' CD2' ' F' ' 6' ' ' LEU . 22.3 m -48.61 101.83 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.075 0 O-C-N 121.104 -0.998 . . . . 40.0 110.734 -179.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 3' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' F' ' 5' ' ' HIS . 1.3 m-80 -108.28 -168.91 1.42 Allowed 'General case' 0 C--N 1.299 -1.598 0 C-N-CA 119.816 -0.754 . . . . 40.0 109.225 -179.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 4' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 59.66 -84.84 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.409 -0.807 . . . . 40.0 109.807 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 5' ' ' HIS . . . . . 0.419 ' N ' ' O ' ' F' ' 3' ' ' ASN . 29.3 t60 -55.03 -21.72 13.21 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.945 -1.097 . . . . 40.0 110.211 -179.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 6' ' ' LEU . . . . . 0.425 ' CD2' HG22 ' F' ' 2' ' ' VAL . 1.0 OUTLIER -113.29 -25.3 8.92 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.203 -0.935 . . . . 40.0 109.445 179.83 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' F' F ' 7' ' ' CYS . . . . . . . . . . . . . 38.4 t -79.55 -47.8 14.92 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.412 -0.805 . . . . 40.0 110.3 -179.305 -172.282 175.172 114.29 101.428 2.016 105.088 96.849 -169.532 1 1 . 1 . 001 nuclear orig full ' F' F ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.88 -38.34 54.38 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 110.979 -0.849 . . . . 23.260000000000002 110.979 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 9' ' ' SER . . . . . 0.423 ' CB ' ' OH ' ' H' ' 16' ' ' TYR . 1.1 p -51.54 -27.46 10.89 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.148 -1.207 . . . . 40.0 110.859 -178.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -102.26 -18.54 15.42 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.229 -0.919 . . . . 40.0 110.751 -178.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 11' ' ' LEU . . . . . 0.415 ' CD2' ' H3 ' ' E' ' 22' ' ' IPH . 51.2 mt -68.98 -37.72 78.93 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 106.799 -1.556 . . . . 40.0 106.799 177.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . 0.419 ' CG2' HG23 ' H' ' 12' ' ' VAL . 34.0 m -65.6 -34.96 73.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 CA-C-O 121.183 0.516 . . . . 40.0 109.866 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 13' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -56.8 -42.74 80.05 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.059 -1.026 . . . . 40.0 109.237 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.66 -29.49 45.73 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.342 -0.848 . . . . 40.0 109.255 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 15' ' ' LEU . . . . . . . . . . . . . 14.0 mt -57.96 -65.17 0.69 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.343 -0.848 . . . . 40.0 110.234 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 16' ' ' TYR . . . . . 0.472 ' HB3' ' CE1' ' F' ' 24' ' ' PHE . 0.1 OUTLIER -68.57 -11.63 60.22 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 119.066 -1.053 . . . . 40.0 110.56 -178.504 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 tp -74.14 -40.13 62.83 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 106.65 -1.611 . . . . 40.0 106.65 176.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 75.4 t -73.35 -35.02 45.14 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.299 0 N-CA-C 108.667 -0.864 . . . . 40.0 108.667 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 19' ' ' CYS . . . . . . . . . . . . . 75.3 m -76.15 -28.5 57.42 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.406 -0.809 . . . . 40.0 109.168 179.669 -71.183 -94.058 171.292 103.645 2.018 103.899 78.881 -157.111 1 1 . 1 . 001 nuclear orig full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.07 -107.82 2.42 Favored Glycine 0 N--CA 1.487 2.094 0 N-CA-C 109.505 -1.438 . . . . 40.0 109.505 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -88.02 -22.59 24.15 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.27 -1.135 . . . . 40.0 109.608 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 22' ' ' ARG . . . . . . . . . . . . . 18.8 mtm180 -61.34 173.66 0.85 Allowed 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.275 -0.89 . . . . 40.0 109.913 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 23' ' ' GLY . . . . . . . . . . . . . . . -118.34 -174.97 16.49 Favored Glycine 0 N--CA 1.488 2.107 0 N-CA-C 109.597 -1.401 . . . . 40.0 109.597 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 24' ' ' PHE . . . . . 0.472 ' CE1' ' HB3' ' F' ' 16' ' ' TYR . 12.7 p90 -160.51 159.04 30.25 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.324 -1.104 . . . . 40.0 109.841 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -105.33 123.89 48.63 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.515 -0.92 . . . . 40.0 108.515 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -112.74 115.54 28.68 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.42 -0.8 . . . . 40.0 109.932 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 27' ' ' THR . . . . . . . . . . . . . 2.3 p -123.95 97.21 41.36 Favored Pre-proline 0 N--CA 1.488 1.44 0 O-C-N 121.156 -0.965 . . . . 40.0 109.192 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 28' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -79.6 60.23 7.73 Favored 'Trans proline' 0 C--O 1.215 -0.637 0 C-N-CA 121.464 1.443 . . . . 40.0 109.901 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -153.43 106.36 2.94 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.2 -0.937 . . . . 40.0 109.289 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 118.023 -0.989 . . . . 40.0 109.337 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.335 0 N-CA-C 109.489 -1.444 . . . . 40.0 109.489 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 12.2 tt -129.15 -42.4 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.216 -1.167 . . . . 40.0 109.156 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 24.9 t -64.25 -59.34 4.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 O-C-N 121.446 -0.784 . . . . 40.0 109.469 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 61.0 tt0 -62.48 -17.2 59.05 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.533 -0.729 . . . . 40.0 110.409 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -90.1 -39.21 13.03 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 120.914 -1.116 . . . . 40.0 110.738 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 59.2 m -98.93 -16.71 18.68 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.021 -1.05 . . . . 17.699999999999999 111.334 -178.337 -55.143 -41.823 -90.493 104.8 2.023 104.172 131.918 -75.494 1 1 . 1 . 001 nuclear orig full ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 25.4 t -96.22 23.12 6.9 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 119.133 -1.027 . . . . 37.899999999999999 109.673 179.308 -169.506 96.973 113.842 105.245 2.018 101.435 175.436 -172.101 1 1 . 1 . 001 nuclear orig full ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 4.3 p -113.22 -43.57 3.35 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 120.858 -1.151 . . . . 40.0 108.04 178.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 9' ' ' SER . . . . . 0.406 ' N ' HG13 ' D' ' 2' ' ' VAL . 1.3 m -151.78 27.61 0.63 Allowed 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.858 -0.793 . . . . 40.0 108.858 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 10' ' ' ILE . . . . . . . . . . . . . 4.5 mp 62.79 132.44 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 CA-C-O 121.62 0.724 . . . . 40.0 110.28 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 55.5 m -84.77 172.8 11.18 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.97 -0.752 . . . . 22.280000000000001 108.97 179.475 -75.494 131.918 -90.493 104.172 2.023 104.8 -41.823 -55.143 1 1 . 1 . 001 nuclear orig full ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 45.8 m -90.41 161.17 15.69 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.205 -0.934 . . . . 40.0 109.163 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 8.0 tt -55.07 -42.25 72.53 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.447 -0.783 . . . . 40.0 109.796 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -69.39 -35.35 75.71 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.03 -1.043 . . . . 40.0 109.928 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -63.99 -34.53 78.2 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.146 -0.971 . . . . 40.0 109.727 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 92.5 mt -68.65 -34.44 75.71 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.286 -0.884 . . . . 40.0 109.833 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -57.81 -35.03 70.28 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.225 -0.922 . . . . 40.0 110.145 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -54.24 -32.07 55.04 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.048 -1.032 . . . . 40.0 109.762 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -89.36 -12.8 39.36 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.22 -0.925 . . . . 40.0 110.526 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 t -55.84 155.97 5.55 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.838 -1.164 . . . . 40.0 109.763 -179.966 -157.063 78.484 171.495 104.062 2.018 103.714 -93.863 -71.13 1 1 . 1 . 001 nuclear orig full ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 . . . . . 0 C--N 1.302 -1.464 0 CA-C-O 117.977 -1.011 . . . . 40.0 109.498 -179.891 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 11.2 p90 . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.43 -0.581 . . . . 40.0 109.43 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' H' H ' 2' ' ' VAL . . . . . 0.43 HG22 ' CD2' ' H' ' 6' ' ' LEU . 23.2 m -48.4 101.98 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 120.977 -1.077 . . . . 40.0 110.813 -179.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 3' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' H' ' 5' ' ' HIS . 1.3 m-80 -108.68 -169.3 1.47 Allowed 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 119.849 -0.741 . . . . 40.0 109.306 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 4' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 59.88 -84.98 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.386 -0.821 . . . . 40.0 109.673 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 5' ' ' HIS . . . . . 0.414 ' N ' ' O ' ' H' ' 3' ' ' ASN . 29.4 t60 -55.07 -21.18 11.68 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.894 -1.129 . . . . 40.0 110.229 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 6' ' ' LEU . . . . . 0.43 ' CD2' HG22 ' H' ' 2' ' ' VAL . 1.0 OUTLIER -113.95 -24.97 8.79 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.176 -0.953 . . . . 40.0 109.49 179.78 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' H' H ' 7' ' ' CYS . . . . . . . . . . . . . 37.9 t -79.74 -47.79 14.7 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.39 -0.819 . . . . 40.0 110.235 -179.321 -172.101 175.436 113.842 101.435 2.018 105.245 96.973 -169.506 1 1 . 1 . 001 nuclear orig full ' H' H ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.57 -38.88 52.68 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 110.854 -0.899 . . . . 23.260000000000002 110.854 -178.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 9' ' ' SER . . . . . 0.42 ' CB ' ' OH ' ' F' ' 16' ' ' TYR . 1.1 p -50.93 -27.67 8.09 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.124 -1.221 . . . . 40.0 110.856 -178.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 36.8 m-70 -102.24 -18.47 15.47 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.301 -0.875 . . . . 40.0 110.769 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 11' ' ' LEU . . . . . 0.417 ' CD2' ' H3 ' ' G' ' 22' ' ' IPH . 51.0 mt -69.13 -37.85 78.53 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 106.837 -1.542 . . . . 40.0 106.837 177.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . 0.419 HG23 ' CG2' ' F' ' 12' ' ' VAL . 34.2 m -65.57 -34.96 73.91 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.382 0 CA-C-O 121.127 0.489 . . . . 40.0 109.775 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 13' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -56.83 -42.57 79.87 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.067 -1.021 . . . . 40.0 109.232 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.62 -29.53 45.97 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.274 -0.891 . . . . 40.0 109.355 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 15' ' ' LEU . . . . . . . . . . . . . 14.1 mt -58.11 -65.04 0.71 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.401 -0.812 . . . . 40.0 110.237 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 16' ' ' TYR . . . . . 0.48 ' HB3' ' CE1' ' H' ' 24' ' ' PHE . 0.1 OUTLIER -68.5 -11.71 60.21 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 119.135 -1.026 . . . . 40.0 110.62 -178.718 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 tp -74.09 -40.16 62.92 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 106.719 -1.586 . . . . 40.0 106.719 176.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 78.9 t -73.41 -35.06 44.82 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 N-CA-C 108.588 -0.893 . . . . 40.0 108.588 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 19' ' ' CYS . . . . . . . . . . . . . 76.2 m -75.95 -28.67 58.01 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.431 -0.793 . . . . 40.0 109.242 179.701 -71.13 -93.863 171.495 103.714 2.018 104.062 78.484 -157.063 1 1 . 1 . 001 nuclear orig full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.92 -107.94 2.44 Favored Glycine 0 N--CA 1.487 2.094 0 N-CA-C 109.653 -1.379 . . . . 40.0 109.653 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -87.92 -22.51 24.32 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.277 -1.131 . . . . 40.0 109.676 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 22' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 -61.27 173.19 0.91 Allowed 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.144 -0.973 . . . . 40.0 109.912 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 23' ' ' GLY . . . . . . . . . . . . . . . -118.05 -175.08 16.71 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 109.457 -1.457 . . . . 40.0 109.457 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 24' ' ' PHE . . . . . 0.48 ' CE1' ' HB3' ' H' ' 16' ' ' TYR . 12.2 p90 -160.05 159.54 32.11 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.174 -1.192 . . . . 40.0 109.778 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -105.65 123.8 48.51 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.347 -0.983 . . . . 40.0 108.347 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -112.76 115.96 29.34 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.222 -0.924 . . . . 40.0 109.988 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 27' ' ' THR . . . . . . . . . . . . . 2.4 p -124.2 97.36 40.45 Favored Pre-proline 0 N--CA 1.489 1.494 0 O-C-N 121.368 -0.833 . . . . 40.0 109.313 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 28' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -79.95 60.38 7.81 Favored 'Trans proline' 0 C--O 1.215 -0.671 0 C-N-CA 121.413 1.409 . . . . 40.0 109.814 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -153.54 106.49 2.93 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.271 -0.893 . . . . 40.0 109.383 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 118.015 -0.993 . . . . 40.0 109.328 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.463 0 N-CA-C 109.477 -1.449 . . . . 40.0 109.477 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 12.1 tt -129.17 -42.4 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.14 -1.212 . . . . 40.0 109.138 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 24.1 t -64.27 -59.23 4.55 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 O-C-N 121.44 -0.787 . . . . 40.0 109.538 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -62.61 -17.18 59.7 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.562 -0.711 . . . . 40.0 110.395 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -89.98 -39.66 12.83 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.865 -1.147 . . . . 40.0 110.674 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 58.8 m -98.43 -17.23 18.9 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.981 -1.074 . . . . 17.699999999999999 111.347 -178.298 -54.94 -41.903 -90.646 104.802 2.022 104.292 131.902 -75.379 1 1 . 1 . 001 nuclear orig full ' I' I ' 7' ' ' CYS . . . . . . . . . . . . . 25.6 t -95.93 24.03 5.85 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.074 -1.016 . . . . 37.899999999999999 109.611 179.413 -169.53 96.825 113.899 105.171 2.019 101.269 175.57 -171.962 1 1 . 1 . 001 nuclear orig full ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 4.0 p -114.03 -44.15 3.18 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 107.975 -1.12 . . . . 40.0 107.975 178.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 9' ' ' SER . . . . . . . . . . . . . 1.3 m -151.66 27.89 0.63 Allowed 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.875 -0.787 . . . . 40.0 108.875 179.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 10' ' ' ILE . . . . . . . . . . . . . 4.4 mp 62.66 132.75 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 CA-C-O 121.726 0.774 . . . . 40.0 110.288 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 11' ' ' CYS . . . . . 0.401 ' N ' ' O1 ' ' I' ' 22' ' ' IPH . 55.8 m -85.12 172.77 10.97 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 108.878 -0.786 . . . . 22.280000000000001 108.878 179.464 -75.379 131.902 -90.646 104.292 2.022 104.802 -41.903 -54.94 2 2 . 1 . 001 nuclear orig full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 47.3 m -90.3 160.92 15.89 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.255 -0.903 . . . . 40.0 109.159 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 8.0 tt -54.9 -42.31 71.99 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.356 -0.84 . . . . 40.0 109.758 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -69.29 -35.07 75.64 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.135 -0.978 . . . . 40.0 109.954 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -64.28 -34.24 77.66 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.238 -0.914 . . . . 40.0 109.77 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 91.6 mt -68.83 -34.7 75.94 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.277 -0.89 . . . . 40.0 109.812 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -57.4 -35.05 69.53 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.223 -0.923 . . . . 40.0 110.089 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -54.35 -31.97 55.74 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.162 -0.961 . . . . 40.0 109.744 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -89.59 -12.87 38.53 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.192 -0.943 . . . . 40.0 110.351 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 t -55.86 155.89 5.66 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.789 -1.194 . . . . 40.0 109.67 -179.89 -157.154 78.695 171.33 104.068 2.017 103.597 -93.833 -70.995 1 1 . 1 . 001 nuclear orig full ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 . . . . . 0 C--N 1.302 -1.48 0 CA-C-O 118.032 -0.985 . . . . 40.0 109.481 -179.813 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 10.9 p90 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.526 -0.546 . . . . 40.0 109.526 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' J' J ' 2' ' ' VAL . . . . . 0.418 HG22 ' CD2' ' J' ' 6' ' ' LEU . 24.2 m -48.43 101.71 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.173 0 O-C-N 120.997 -1.064 . . . . 40.0 110.683 -179.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 3' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' J' ' 5' ' ' HIS . 1.3 m-80 -108.37 -169.32 1.49 Allowed 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.544 -0.722 . . . . 40.0 109.386 -179.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 4' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 59.95 -84.95 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.354 -0.841 . . . . 40.0 109.789 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 5' ' ' HIS . . . . . 0.411 ' N ' ' O ' ' J' ' 3' ' ' ASN . 29.3 t60 -55.03 -21.29 11.74 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.052 -1.03 . . . . 40.0 110.294 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 6' ' ' LEU . . . . . 0.418 ' CD2' HG22 ' J' ' 2' ' ' VAL . 1.0 OUTLIER -113.71 -25.33 8.72 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.252 -0.905 . . . . 40.0 109.436 179.769 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' J' J ' 7' ' ' CYS . . . . . . . . . . . . . 37.4 t -79.41 -48.11 14.56 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.489 -0.757 . . . . 40.0 110.338 -179.316 -171.962 175.57 113.899 101.269 2.019 105.171 96.825 -169.53 1 1 . 1 . 001 nuclear orig full ' J' J ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.34 -38.82 50.67 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 110.958 -0.857 . . . . 23.260000000000002 110.958 -178.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 9' ' ' SER . . . . . 0.417 ' CB ' ' OH ' ' L' ' 16' ' ' TYR . 1.0 OUTLIER -51.15 -27.66 9.17 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.076 -1.249 . . . . 40.0 110.819 -178.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -102.14 -18.45 15.55 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.23 -0.919 . . . . 40.0 110.683 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 11' ' ' LEU . . . . . 0.424 ' CD2' ' H3 ' ' I' ' 22' ' ' IPH . 49.5 mt -69.23 -37.5 78.05 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 106.849 -1.537 . . . . 40.0 106.849 177.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . 0.422 HG23 ' CG2' ' L' ' 12' ' ' VAL . 34.1 m -66.07 -34.47 70.44 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 O-C-N 121.86 -0.525 . . . . 40.0 109.758 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 13' ' ' GLU . . . . . 0.415 ' HG2' ' CB ' ' L' ' 9' ' ' SER . 26.4 mt-10 -57.14 -42.63 81.35 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.054 -1.029 . . . . 40.0 109.204 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.47 -29.35 46.76 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.177 -0.952 . . . . 40.0 109.367 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 15' ' ' LEU . . . . . . . . . . . . . 14.1 mt -58.12 -65.14 0.69 Allowed 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.336 -0.853 . . . . 40.0 110.247 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 16' ' ' TYR . . . . . 0.476 ' HB3' ' CE1' ' J' ' 24' ' ' PHE . 0.1 OUTLIER -68.64 -11.4 60.06 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 119.014 -1.074 . . . . 40.0 110.717 -178.489 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 tp -74.39 -40.04 62.31 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 106.695 -1.594 . . . . 40.0 106.695 176.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 78.6 t -73.45 -34.73 43.68 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 N-CA-C 108.643 -0.873 . . . . 40.0 108.643 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 19' ' ' CYS . . . . . . . . . . . . . 78.6 m -76.42 -28.29 56.59 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.496 -0.752 . . . . 40.0 109.303 179.63 -70.995 -93.833 171.33 103.597 2.017 104.068 78.695 -157.154 1 1 . 1 . 001 nuclear orig full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.51 -107.84 2.4 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.689 -1.364 . . . . 40.0 109.689 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -87.98 -22.33 24.34 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.175 -1.191 . . . . 40.0 109.739 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 22' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -61.5 173.17 0.99 Allowed 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.091 -1.005 . . . . 40.0 109.903 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 23' ' ' GLY . . . . . . . . . . . . . . . -118.34 -174.97 16.49 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.41 -1.476 . . . . 40.0 109.41 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 24' ' ' PHE . . . . . 0.476 ' CE1' ' HB3' ' J' ' 16' ' ' TYR . 12.5 p90 -160.09 159.67 32.15 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.328 -1.101 . . . . 40.0 109.813 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -105.51 123.72 48.36 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.499 -0.926 . . . . 40.0 108.499 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -112.59 115.62 28.89 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.249 -0.907 . . . . 40.0 110.039 -179.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 27' ' ' THR . . . . . . . . . . . . . 2.5 p -124.13 97.06 41.13 Favored Pre-proline 0 N--CA 1.488 1.449 0 O-C-N 121.315 -0.865 . . . . 40.0 109.118 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 28' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -79.49 60.43 7.81 Favored 'Trans proline' 0 C--O 1.216 -0.607 0 C-N-CA 121.382 1.388 . . . . 40.0 109.848 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -153.42 106.56 2.96 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.342 -0.849 . . . . 40.0 109.283 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 118.027 -0.987 . . . . 40.0 109.321 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.381 0 N-CA-C 109.483 -1.447 . . . . 40.0 109.483 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 12.2 tt -129.2 -42.14 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.135 -1.215 . . . . 40.0 109.247 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 24.3 t -64.65 -59.22 4.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 O-C-N 121.412 -0.805 . . . . 40.0 109.543 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -62.64 -17.24 60.0 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.547 -0.721 . . . . 40.0 110.356 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -90.05 -39.21 13.07 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.817 -1.177 . . . . 40.0 110.714 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 59.1 m -98.89 -16.88 18.65 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.065 -1.022 . . . . 17.699999999999999 111.276 -178.329 -55.098 -41.853 -90.603 104.77 2.024 104.278 132.011 -75.426 1 1 . 1 . 001 nuclear orig full ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 25.4 t -96.13 23.5 6.47 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 119.163 -1.015 . . . . 37.899999999999999 109.73 179.342 -169.516 96.885 113.868 105.23 2.018 101.494 175.45 -172.042 1 1 . 1 . 001 nuclear orig full ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 4.5 p -113.67 -43.75 3.27 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.889 -1.132 . . . . 40.0 108.021 178.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 9' ' ' SER . . . . . 0.403 ' N ' HG13 ' H' ' 2' ' ' VAL . 1.4 m -151.75 27.62 0.63 Allowed 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.91 -0.774 . . . . 40.0 108.91 179.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 10' ' ' ILE . . . . . . . . . . . . . 4.5 mp 62.86 132.56 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 CA-C-O 121.688 0.756 . . . . 40.0 110.209 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 55.7 m -84.89 173.04 10.91 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.77 -0.826 . . . . 22.280000000000001 108.77 179.474 -75.426 132.011 -90.603 104.278 2.024 104.77 -41.853 -55.098 1 1 . 1 . 001 nuclear orig full ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 44.6 m -90.61 160.95 15.64 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.33 -0.856 . . . . 40.0 109.134 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 8.0 tt -54.71 -42.66 71.75 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.423 -0.798 . . . . 40.0 109.869 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -68.9 -35.08 76.42 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.003 -1.061 . . . . 40.0 109.99 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -64.45 -34.13 77.47 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.102 -0.999 . . . . 40.0 109.844 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 93.4 mt -69.14 -34.36 74.9 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.251 -0.906 . . . . 40.0 109.661 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -57.85 -35.26 70.68 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.209 -0.932 . . . . 40.0 110.011 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -54.02 -32.11 53.29 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.161 -0.962 . . . . 40.0 109.948 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -89.57 -12.99 38.27 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.166 -0.959 . . . . 40.0 110.334 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 t -55.76 155.84 5.54 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.766 -1.209 . . . . 40.0 109.685 -179.97 -157.224 78.717 171.149 104.077 2.017 103.641 -93.954 -71.069 1 1 . 1 . 001 nuclear orig full ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 . . . . . 0 C--N 1.303 -1.454 0 CA-C-O 117.985 -1.007 . . . . 40.0 109.489 -179.832 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 11.3 p90 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.527 -0.546 . . . . 40.0 109.527 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' L' L ' 2' ' ' VAL . . . . . 0.423 HG22 ' CD2' ' L' ' 6' ' ' LEU . 22.1 m -48.4 101.79 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 O-C-N 121.018 -1.051 . . . . 40.0 110.755 -179.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 3' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' L' ' 5' ' ' HIS . 1.3 m-80 -108.42 -169.22 1.47 Allowed 'General case' 0 C--N 1.299 -1.598 0 C-N-CA 119.866 -0.733 . . . . 40.0 109.179 -179.293 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 4' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 59.85 -84.87 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.458 -0.776 . . . . 40.0 109.758 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 5' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' L' ' 3' ' ' ASN . 29.4 t60 -55.04 -21.47 12.41 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.999 -1.063 . . . . 40.0 110.245 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 6' ' ' LEU . . . . . 0.423 ' CD2' HG22 ' L' ' 2' ' ' VAL . 1.0 OUTLIER -113.6 -25.37 8.75 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.274 -0.891 . . . . 40.0 109.423 179.87 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' L' L ' 7' ' ' CYS . . . . . . . . . . . . . 37.7 t -79.34 -47.85 15.08 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.412 -0.805 . . . . 40.0 110.306 -179.266 -172.042 175.45 113.868 101.494 2.018 105.23 96.885 -169.516 1 1 . 1 . 001 nuclear orig full ' L' L ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.83 -38.58 54.4 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 111.012 -0.835 . . . . 23.260000000000002 111.012 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 9' ' ' SER . . . . . 0.418 ' CB ' ' OH ' ' J' ' 16' ' ' TYR . 1.0 OUTLIER -51.15 -27.5 8.77 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.188 -1.183 . . . . 40.0 110.831 -178.925 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 37.0 m-70 -102.43 -18.37 15.39 Favored 'General case' 0 C--N 1.303 -1.426 0 C-N-CA 119.395 -0.922 . . . . 40.0 110.671 -178.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 11' ' ' LEU . . . . . 0.42 ' CD2' ' H3 ' ' K' ' 22' ' ' IPH . 49.8 mt -69.12 -37.59 78.42 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 106.906 -1.516 . . . . 40.0 106.906 177.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . 0.422 ' CG2' HG23 ' J' ' 12' ' ' VAL . 34.0 m -65.79 -34.51 70.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 CA-C-O 121.185 0.517 . . . . 40.0 109.812 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 13' ' ' GLU . . . . . 0.414 ' HG2' ' CB ' ' J' ' 9' ' ' SER . 26.1 mt-10 -57.16 -42.76 81.67 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.109 -0.994 . . . . 40.0 109.236 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.56 -29.36 46.26 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.295 -0.878 . . . . 40.0 109.245 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 15' ' ' LEU . . . . . . . . . . . . . 14.1 mt -58.03 -65.31 0.66 Allowed 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.381 -0.824 . . . . 40.0 110.233 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 16' ' ' TYR . . . . . 0.48 ' HB3' ' CE1' ' L' ' 24' ' ' PHE . 0.1 OUTLIER -68.48 -11.27 59.56 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 119.039 -1.065 . . . . 40.0 110.702 -178.608 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 tp -74.28 -40.45 62.29 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 106.66 -1.608 . . . . 40.0 106.66 176.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 69.0 t -73.11 -34.61 45.62 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 N-CA-C 108.731 -0.841 . . . . 40.0 108.731 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 19' ' ' CYS . . . . . . . . . . . . . 77.3 m -76.5 -28.1 56.3 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.531 -0.73 . . . . 40.0 109.116 179.798 -71.069 -93.954 171.149 103.641 2.017 104.077 78.717 -157.224 1 1 . 1 . 001 nuclear orig full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.24 -107.64 2.35 Favored Glycine 0 N--CA 1.488 2.107 0 N-CA-C 109.653 -1.379 . . . . 40.0 109.653 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -88.12 -22.14 24.27 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.23 -1.159 . . . . 40.0 109.712 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 22' ' ' ARG . . . . . . . . . . . . . 19.3 mtm180 -61.75 172.85 1.15 Allowed 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.113 -0.992 . . . . 40.0 109.861 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 23' ' ' GLY . . . . . . . . . . . . . . . -117.91 -175.13 16.81 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.409 -1.477 . . . . 40.0 109.409 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 24' ' ' PHE . . . . . 0.48 ' CE1' ' HB3' ' L' ' 16' ' ' TYR . 12.2 p90 -159.89 159.65 32.67 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.211 -1.17 . . . . 40.0 109.831 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -105.57 123.76 48.44 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 108.527 -0.916 . . . . 40.0 108.527 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -112.76 116.23 29.77 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.179 -0.951 . . . . 40.0 109.828 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 27' ' ' THR . . . . . . . . . . . . . 2.4 p -124.45 97.01 40.36 Favored Pre-proline 0 N--CA 1.489 1.499 0 O-C-N 121.303 -0.873 . . . . 40.0 109.16 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 28' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -79.72 60.27 7.75 Favored 'Trans proline' 0 C--O 1.216 -0.624 0 C-N-CA 121.491 1.461 . . . . 40.0 109.83 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -153.32 106.28 2.95 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.396 -0.815 . . . . 40.0 109.267 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 117.997 -1.001 . . . . 40.0 109.305 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' IPH . . . . . 0.415 ' H3 ' ' CD2' ' B' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' IPH . . . . . 0.423 ' H3 ' ' CD2' ' D' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 22' ' ' IPH . . . . . 0.415 ' H3 ' ' CD2' ' F' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 22' ' ' IPH . . . . . 0.417 ' H3 ' ' CD2' ' H' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 22' ' ' IPH . . . . . 0.424 ' H3 ' ' CD2' ' J' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 22' ' ' IPH . . . . . 0.42 ' H3 ' ' CD2' ' L' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.407 0 N-CA-C 109.553 -1.419 . . . . 40.0 109.553 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.549 HG23 ' N ' ' A' ' 3' ' ' VAL . 12.3 tt -129.52 -42.29 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.307 -1.113 . . . . 34.81 109.195 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.549 ' N ' HG23 ' A' ' 2' ' ' ILE . 24.4 t -64.43 -59.51 4.11 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 O-C-N 121.427 -0.796 . . . . 40.0 109.501 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -62.4 -16.89 57.48 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.404 -0.81 . . . . 40.0 110.412 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -90.38 -39.01 12.93 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.929 -1.107 . . . . 34.2 110.727 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.0 m -99.22 -16.74 18.43 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.962 -1.086 . . . . 17.7 111.243 -178.402 -55.074 -41.874 -90.608 104.779 2.022 104.17 131.951 -75.369 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.58 ' C ' HG13 ' F' ' 2' ' ' VAL . 26.8 t -96.47 24.08 6.21 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 119.101 -1.039 . . . . 37.9 109.66 179.394 -169.677 96.965 113.904 105.132 2.017 101.318 175.588 -171.981 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.417 ' C ' HG12 ' F' ' 2' ' ' VAL . 4.3 p -113.91 -44.19 3.19 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.877 -1.14 . . . . 40.0 107.957 178.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.466 ' C ' HD12 ' A' ' 10' ' ' ILE . 1.4 m -151.46 27.65 0.66 Allowed 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.979 -0.748 . . . . 40.0 108.979 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.487 HG23 ' C1 ' ' A' ' 22' ' ' IPH . 4.5 mp 62.77 132.54 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 CA-C-O 121.615 0.721 . . . . 36.65 110.319 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 55.8 m -84.92 172.48 11.33 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.893 -0.78 . . . . 16.01 108.893 179.478 -75.369 131.951 -90.608 104.17 2.022 104.779 -41.874 -55.074 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.0 m -90.11 161.09 15.95 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.226 -0.921 . . . . 40.0 109.252 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.0 tt -54.99 -42.54 72.58 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.341 -0.849 . . . . 40.0 109.825 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -68.98 -35.54 76.85 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.053 -1.029 . . . . 40.0 109.91 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -63.69 -34.98 79.07 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.262 -0.899 . . . . 40.0 109.77 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.9 mt -68.35 -34.66 76.49 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.209 -0.932 . . . . 20.38 109.884 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -57.42 -35.32 69.92 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.203 -0.936 . . . . 40.0 110.181 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -53.9 -32.22 52.6 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.063 -1.023 . . . . 40.0 109.872 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -89.42 -12.99 38.67 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.223 -0.923 . . . . 40.0 110.362 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 t -55.6 155.94 5.18 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 120.803 -1.186 . . . . 40.0 109.694 -179.971 -157.12 78.22 171.54 104.062 2.017 103.7 -93.72 -71.031 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.406 HD21 ' C ' ' A' ' 21' ' ' ASN . 0.5 OUTLIER . . . . . 0 C--N 1.302 -1.475 0 CA-C-O 118.006 -0.997 . . . . 40.0 109.452 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 11.3 p90 . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.487 -0.56 . . . . 40.0 109.487 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.591 ' CG2' HD22 ' B' ' 6' ' ' LEU . 21.0 m -48.46 102.11 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 121.096 -1.002 . . . . 40.0 110.78 -179.126 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ASN . . . . . 0.412 ' O ' ' N ' ' B' ' 5' ' ' HIS . 1.3 m-80 -108.58 -169.34 1.48 Allowed 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.518 -0.739 . . . . 40.0 109.224 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 59.91 -84.86 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.455 -0.778 . . . . 40.0 109.771 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.412 ' N ' ' O ' ' B' ' 3' ' ' ASN . 29.3 t60 -55.11 -21.45 12.96 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.886 -1.134 . . . . 40.0 110.2 -179.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.591 HD22 ' CG2' ' B' ' 2' ' ' VAL . 1.0 OUTLIER -113.62 -25.11 8.86 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.227 -0.921 . . . . 40.0 109.516 179.795 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 37.5 t -79.63 -47.88 14.69 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.389 -0.819 . . . . 33.61 110.424 -179.342 -171.981 175.588 113.904 101.318 2.017 105.132 96.965 -169.677 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' GLY . . . . . 0.409 ' HA3' ' OH ' ' B' ' 26' ' ' TYR . . . -53.17 -37.75 55.14 Favored Glycine 0 N--CA 1.488 2.166 0 N-CA-C 111.059 -0.816 . . . . 18.57 111.059 -178.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' SER . . . . . 0.424 ' CB ' ' OH ' ' D' ' 16' ' ' TYR . 1.0 OUTLIER -51.62 -27.62 11.84 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.031 -1.276 . . . . 40.0 110.718 -179.111 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -102.17 -18.46 15.52 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 119.383 -0.927 . . . . 40.0 110.77 -178.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.557 HD23 ' H3 ' ' A' ' 22' ' ' IPH . 49.4 mt -69.15 -37.15 78.11 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 106.893 -1.521 . . . . 10.78 106.893 177.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.683 HG21 HG21 ' D' ' 12' ' ' VAL . 34.2 m -66.1 -34.89 73.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 CA-C-O 121.183 0.516 . . . . 32.43 109.822 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -57.08 -42.36 80.54 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.107 -0.996 . . . . 40.0 109.172 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.461 ' O ' HG23 ' B' ' 18' ' ' VAL . . . -78.77 -29.8 45.27 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.2 -0.937 . . . . 12.9 109.289 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' B' ' 12' ' ' VAL . 14.0 mt -57.8 -65.0 0.71 Allowed 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.33 -0.856 . . . . 16.01 110.137 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.503 ' HB3' ' CE1' ' B' ' 24' ' ' PHE . 0.1 OUTLIER -68.62 -11.41 60.03 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 119.057 -1.057 . . . . 40.0 110.719 -178.607 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.749 HD11 ' H5 ' ' G' ' 22' ' ' IPH . 1.5 tp -74.37 -40.06 62.35 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 106.652 -1.61 . . . . 40.0 106.652 176.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 14' ' ' ALA . 78.7 t -73.33 -35.52 46.58 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 N-CA-C 108.56 -0.904 . . . . 16.01 108.56 178.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 77.9 m -75.63 -28.37 58.79 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.475 -0.766 . . . . 40.0 109.218 179.712 -71.031 -93.72 171.54 103.7 2.017 104.062 78.22 -157.12 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.78 -108.17 2.49 Favored Glycine 0 N--CA 1.487 2.073 0 N-CA-C 109.535 -1.426 . . . . 40.0 109.535 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -87.93 -22.32 24.41 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.318 -1.107 . . . . 40.0 109.727 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 19.1 mtm180 -61.35 173.4 0.9 Allowed 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.125 -0.985 . . . . 40.0 109.825 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.436 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . -118.44 -174.92 16.41 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.308 -1.517 . . . . 28.47 109.308 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' PHE . . . . . 0.503 ' CE1' ' HB3' ' B' ' 16' ' ' TYR . 12.2 p90 -159.95 159.98 32.9 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.155 -1.203 . . . . 40.0 109.786 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -105.71 123.98 48.82 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.488 -0.93 . . . . 40.0 108.488 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.409 ' OH ' ' HA3' ' B' ' 8' ' ' GLY . 60.2 t80 -112.94 116.34 29.83 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.286 -0.884 . . . . 40.0 109.936 -179.26 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.451 HG22 ' HA3' ' D' ' 23' ' ' GLY . 2.4 p -124.65 97.28 39.37 Favored Pre-proline 0 N--CA 1.489 1.475 0 O-C-N 121.318 -0.863 . . . . 40.0 109.201 179.311 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.543 ' HA ' HG21 ' A' ' 3' ' ' VAL . 36.5 Cg_endo -79.87 60.63 7.91 Favored 'Trans proline' 0 C--O 1.213 -0.74 0 C-N-CA 121.402 1.401 . . . . 40.0 109.77 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -153.65 106.05 2.86 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.367 -0.833 . . . . 40.0 109.358 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 118.024 -0.988 . . . . 40.0 109.439 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.428 0 N-CA-C 109.403 -1.479 . . . . 40.0 109.403 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 2' ' ' ILE . . . . . 0.539 HG23 ' N ' ' C' ' 3' ' ' VAL . 12.2 tt -129.19 -42.41 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.242 -1.152 . . . . 34.81 109.125 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 3' ' ' VAL . . . . . 0.539 ' N ' HG23 ' C' ' 2' ' ' ILE . 24.7 t -64.26 -59.12 4.71 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 O-C-N 121.379 -0.826 . . . . 40.0 109.52 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -62.78 -17.1 60.58 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.496 -0.752 . . . . 40.0 110.413 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -90.17 -39.19 12.99 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.853 -1.154 . . . . 35.41 110.712 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 59.2 m -98.94 -17.04 18.55 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.012 -1.055 . . . . 17.7 111.22 -178.359 -55.157 -41.855 -90.487 104.777 2.023 104.189 131.973 -75.684 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' CYS . . . . . 0.582 ' C ' HG13 ' L' ' 2' ' ' VAL . 26.5 t -96.12 23.99 6.03 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 119.126 -1.03 . . . . 37.9 109.688 179.416 -169.644 96.865 114.087 105.141 2.018 101.34 175.588 -172.283 2 2 . 1 . 001 nuclear build full ' C' C ' 8' ' ' THR . . . . . 0.41 ' C ' HG12 ' L' ' 2' ' ' VAL . 4.3 p -114.0 -44.41 3.16 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.863 -1.162 . . . . 40.0 107.863 178.505 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 9' ' ' SER . . . . . 0.457 ' C ' HD12 ' C' ' 10' ' ' ILE . 1.3 m -151.3 27.9 0.66 Allowed 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.863 -0.792 . . . . 40.0 108.863 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.473 HG23 ' C1 ' ' C' ' 22' ' ' IPH . 4.5 mp 62.6 132.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 CA-C-O 121.671 0.748 . . . . 37.27 110.26 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 54.5 m -85.07 172.62 11.12 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.915 -0.772 . . . . 16.01 108.915 179.418 -75.684 131.973 -90.487 104.189 2.023 104.777 -41.855 -55.157 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 40.6 m -90.11 161.02 15.98 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.315 -0.865 . . . . 40.0 109.136 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 7.9 tt -54.76 -42.7 71.98 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.394 -0.816 . . . . 40.0 109.862 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -68.81 -35.25 76.77 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.042 -1.036 . . . . 40.0 110.026 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -64.13 -34.42 78.03 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.185 -0.947 . . . . 40.0 109.803 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 92.3 mt -68.63 -34.78 76.34 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.23 -0.919 . . . . 20.38 109.907 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -57.53 -35.3 70.11 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.174 -0.954 . . . . 40.0 110.108 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -53.96 -31.85 51.91 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.025 -1.047 . . . . 40.0 109.95 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -89.69 -13.19 37.48 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.254 -0.904 . . . . 40.0 110.439 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 4.8 t -55.54 156.11 4.92 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.769 -1.207 . . . . 40.0 109.7 -179.881 -157.356 78.8 171.023 103.905 2.016 103.604 -93.863 -71.041 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 . . . . . 0 C--N 1.3 -1.545 0 CA-C-O 117.955 -1.021 . . . . 40.0 109.6 -179.895 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 11.1 p90 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.538 -0.542 . . . . 40.0 109.538 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 2' ' ' VAL . . . . . 0.604 ' CG2' HD22 ' D' ' 6' ' ' LEU . 22.7 m -48.46 101.76 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.117 0 O-C-N 121.038 -1.039 . . . . 40.0 110.762 -179.131 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 3' ' ' ASN . . . . . 0.418 ' O ' ' N ' ' D' ' 5' ' ' HIS . 1.3 m-80 -108.45 -169.31 1.48 Allowed 'General case' 0 C--N 1.299 -1.621 0 C-N-CA 119.797 -0.761 . . . . 40.0 109.221 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 59.89 -84.73 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.461 -0.774 . . . . 40.0 109.781 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 5' ' ' HIS . . . . . 0.418 ' N ' ' O ' ' D' ' 3' ' ' ASN . 29.7 t60 -55.15 -21.42 13.29 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.034 -1.041 . . . . 40.0 110.282 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 6' ' ' LEU . . . . . 0.604 HD22 ' CG2' ' D' ' 2' ' ' VAL . 1.0 OUTLIER -113.78 -25.07 8.82 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.204 -0.935 . . . . 40.0 109.45 179.904 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 38.5 t -79.69 -47.81 14.72 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.34 -0.85 . . . . 33.61 110.32 -179.226 -172.283 175.588 114.087 101.34 2.018 105.141 96.865 -169.644 1 1 . 1 . 001 nuclear build full ' D' D ' 8' ' ' GLY . . . . . 0.405 ' HA3' ' OH ' ' D' ' 26' ' ' TYR . . . -52.97 -38.39 55.23 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 111.064 -0.814 . . . . 18.57 111.064 -178.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 9' ' ' SER . . . . . 0.419 ' CB ' ' OH ' ' B' ' 16' ' ' TYR . 1.0 OUTLIER -51.1 -27.8 9.14 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.076 -1.25 . . . . 40.0 110.802 -178.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 36.8 m-70 -102.03 -18.52 15.58 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.227 -0.92 . . . . 40.0 110.694 -178.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 11' ' ' LEU . . . . . 0.541 HD23 ' H3 ' ' C' ' 22' ' ' IPH . 51.1 mt -69.01 -37.41 78.66 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 106.936 -1.505 . . . . 10.78 106.936 177.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 12' ' ' VAL . . . . . 0.683 HG21 HG21 ' B' ' 12' ' ' VAL . 34.1 m -66.05 -34.77 72.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 CA-C-O 121.204 0.526 . . . . 32.43 109.798 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -56.71 -42.71 79.63 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.044 -1.035 . . . . 40.0 109.251 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 14' ' ' ALA . . . . . 0.469 ' O ' HG23 ' D' ' 18' ' ' VAL . . . -78.5 -29.76 46.84 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.179 -0.951 . . . . 12.9 109.369 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 15' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' D' ' 12' ' ' VAL . 14.2 mt -57.87 -64.98 0.72 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.271 -0.893 . . . . 15.6 110.19 -179.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 16' ' ' TYR . . . . . 0.5 ' HB3' ' CE1' ' D' ' 24' ' ' PHE . 0.1 OUTLIER -68.75 -11.37 60.22 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 119.003 -1.079 . . . . 40.0 110.688 -178.626 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.759 HD11 ' H5 ' ' I' ' 22' ' ' IPH . 1.5 tp -74.27 -40.1 62.54 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 106.67 -1.604 . . . . 40.0 106.67 176.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.469 HG23 ' O ' ' D' ' 14' ' ' ALA . 72.4 t -73.41 -35.03 44.75 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.304 0 N-CA-C 108.667 -0.864 . . . . 15.6 108.667 178.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 77.8 m -76.02 -28.78 57.87 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.441 -0.787 . . . . 40.0 109.096 179.762 -71.041 -93.863 171.023 103.604 2.016 103.905 78.8 -157.356 1 1 . 1 . 001 nuclear build full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.08 -107.93 2.44 Favored Glycine 0 N--CA 1.489 2.187 0 N-CA-C 109.515 -1.434 . . . . 40.0 109.515 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -87.92 -22.46 24.35 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.308 -1.113 . . . . 40.0 109.622 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 -61.63 173.23 1.02 Allowed 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.164 -0.96 . . . . 40.0 109.853 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 23' ' ' GLY . . . . . 0.451 ' HA3' HG22 ' B' ' 27' ' ' THR . . . -118.21 -174.57 16.44 Favored Glycine 0 N--CA 1.489 2.195 0 N-CA-C 109.446 -1.462 . . . . 28.47 109.446 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 24' ' ' PHE . . . . . 0.5 ' CE1' ' HB3' ' D' ' 16' ' ' TYR . 11.8 p90 -160.41 159.68 31.31 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.264 -1.139 . . . . 40.0 109.837 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -105.78 123.94 48.77 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.464 -0.939 . . . . 40.0 108.464 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 26' ' ' TYR . . . . . 0.405 ' OH ' ' HA3' ' D' ' 8' ' ' GLY . 60.5 t80 -112.98 115.85 29.04 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.319 -0.863 . . . . 40.0 109.92 -179.17 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 27' ' ' THR . . . . . 0.434 ' HA ' ' HA3' ' B' ' 23' ' ' GLY . 2.4 p -124.08 97.04 41.3 Favored Pre-proline 0 C--N 1.303 -1.429 0 O-C-N 121.279 -0.888 . . . . 40.0 109.246 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 28' ' ' PRO . . . . . 0.526 ' HA ' HG21 ' C' ' 3' ' ' VAL . 36.3 Cg_endo -79.62 60.37 7.79 Favored 'Trans proline' 0 C--O 1.215 -0.642 0 C-N-CA 121.438 1.425 . . . . 40.0 109.774 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -153.45 106.52 2.95 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.302 -0.874 . . . . 40.0 109.323 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 117.974 -1.012 . . . . 40.0 109.199 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.332 0 N-CA-C 109.511 -1.436 . . . . 40.0 109.511 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 2' ' ' ILE . . . . . 0.532 HG23 ' N ' ' E' ' 3' ' ' VAL . 12.2 tt -129.16 -42.47 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.221 -1.164 . . . . 34.81 109.122 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 3' ' ' VAL . . . . . 0.55 HG21 ' HA ' ' F' ' 28' ' ' PRO . 23.5 t -64.19 -59.77 3.75 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 O-C-N 121.433 -0.792 . . . . 40.0 109.433 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 -62.18 -17.26 57.54 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.503 -0.748 . . . . 40.0 110.441 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -90.07 -39.56 12.83 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.849 -1.157 . . . . 34.81 110.63 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 59.0 m -98.51 -17.05 18.93 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.985 -1.072 . . . . 17.7 111.363 -178.298 -55.068 -42.004 -90.38 104.735 2.024 104.271 132.001 -75.66 1 1 . 1 . 001 nuclear build full ' E' E ' 7' ' ' CYS . . . . . 0.575 ' C ' HG13 ' J' ' 2' ' ' VAL . 25.6 t -95.95 22.95 6.82 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 119.114 -1.034 . . . . 37.9 109.764 179.435 -169.532 96.849 114.29 105.088 2.016 101.428 175.172 -172.282 2 2 . 1 . 001 nuclear build full ' E' E ' 8' ' ' THR . . . . . 0.417 ' C ' HG12 ' J' ' 2' ' ' VAL . 4.3 p -112.95 -43.86 3.36 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 120.806 -1.184 . . . . 40.0 107.989 178.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 9' ' ' SER . . . . . 0.46 ' C ' HD12 ' E' ' 10' ' ' ILE . 1.4 m -151.78 28.08 0.62 Allowed 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.865 -0.791 . . . . 40.0 108.865 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 10' ' ' ILE . . . . . 0.479 HG23 ' C1 ' ' E' ' 22' ' ' IPH . 4.5 mp 62.46 132.75 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 CA-C-O 121.763 0.792 . . . . 37.27 110.373 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 54.7 m -85.05 172.77 11.02 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.451 -0.781 . . . . 16.43 108.955 179.403 -75.66 132.001 -90.38 104.271 2.024 104.735 -42.004 -55.068 1 1 . 1 . 001 nuclear build full ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 43.4 m -90.15 161.17 15.88 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.227 -0.921 . . . . 40.0 109.162 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 8.1 tt -55.22 -42.27 73.13 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.297 -0.877 . . . . 40.0 109.832 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -69.26 -35.27 75.91 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.046 -1.034 . . . . 40.0 109.935 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -63.86 -34.75 78.63 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.23 -0.919 . . . . 40.0 109.634 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 92.8 mt -68.52 -34.24 75.53 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.221 -0.924 . . . . 20.38 109.852 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -57.87 -35.12 70.53 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.222 -0.924 . . . . 40.0 110.123 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -54.17 -31.98 54.18 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.98 -1.075 . . . . 40.0 109.869 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -89.56 -12.99 38.27 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.257 -0.902 . . . . 40.0 110.394 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 t -55.78 155.76 5.64 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.685 -1.26 . . . . 40.0 109.645 -179.909 -157.111 78.881 171.292 103.899 2.018 103.645 -94.058 -71.183 1 1 . 1 . 001 nuclear build full ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 . . . . . 0 C--N 1.301 -1.519 0 CA-C-O 117.985 -1.007 . . . . 40.0 109.543 -179.933 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 10.9 p90 . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.351 -0.611 . . . . 40.0 109.351 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' F' F ' 2' ' ' VAL . . . . . 0.591 ' CG2' HD22 ' F' ' 6' ' ' LEU . 22.3 m -48.61 101.83 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.075 0 O-C-N 121.104 -0.998 . . . . 40.0 110.734 -179.26 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 3' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' F' ' 5' ' ' HIS . 1.3 m-80 -108.28 -168.91 1.42 Allowed 'General case' 0 C--N 1.299 -1.598 0 C-N-CA 119.816 -0.754 . . . . 40.0 109.225 -179.349 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 4' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 59.66 -84.84 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.409 -0.807 . . . . 40.0 109.807 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 5' ' ' HIS . . . . . 0.419 ' N ' ' O ' ' F' ' 3' ' ' ASN . 29.3 t60 -55.03 -21.72 13.21 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.945 -1.097 . . . . 40.0 110.211 -179.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 6' ' ' LEU . . . . . 0.591 HD22 ' CG2' ' F' ' 2' ' ' VAL . 1.0 OUTLIER -113.29 -25.3 8.92 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.203 -0.935 . . . . 40.0 109.445 179.83 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' F' F ' 7' ' ' CYS . . . . . . . . . . . . . 38.4 t -79.55 -47.8 14.92 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.412 -0.805 . . . . 33.61 110.3 -179.305 -172.282 175.172 114.29 101.428 2.016 105.088 96.849 -169.532 1 1 . 1 . 001 nuclear build full ' F' F ' 8' ' ' GLY . . . . . 0.407 ' HA3' ' OH ' ' F' ' 26' ' ' TYR . . . -52.88 -38.34 54.38 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 110.979 -0.849 . . . . 18.57 110.979 -178.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 9' ' ' SER . . . . . 0.423 ' CB ' ' OH ' ' H' ' 16' ' ' TYR . 1.1 p -51.54 -27.46 10.89 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.148 -1.207 . . . . 40.0 110.859 -178.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -102.26 -18.54 15.42 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.229 -0.919 . . . . 40.0 110.751 -178.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 11' ' ' LEU . . . . . 0.549 HD23 ' H3 ' ' E' ' 22' ' ' IPH . 51.2 mt -68.98 -37.72 78.93 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 106.799 -1.556 . . . . 10.78 106.799 177.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 12' ' ' VAL . . . . . 0.662 HG21 HG21 ' H' ' 12' ' ' VAL . 34.0 m -65.6 -34.96 73.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 CA-C-O 121.183 0.516 . . . . 32.43 109.866 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 13' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -56.8 -42.74 80.05 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.059 -1.026 . . . . 40.0 109.237 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 14' ' ' ALA . . . . . 0.481 ' O ' HG23 ' F' ' 18' ' ' VAL . . . -78.66 -29.49 45.73 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.342 -0.848 . . . . 12.9 109.255 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 15' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' F' ' 12' ' ' VAL . 14.0 mt -57.96 -65.17 0.69 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.343 -0.848 . . . . 16.01 110.234 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 16' ' ' TYR . . . . . 0.49 ' HB3' ' CE1' ' F' ' 24' ' ' PHE . 0.1 OUTLIER -68.57 -11.63 60.22 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 119.066 -1.053 . . . . 40.0 110.56 -178.504 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.756 HD11 ' H5 ' ' K' ' 22' ' ' IPH . 1.5 tp -74.14 -40.13 62.83 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 106.65 -1.611 . . . . 40.0 106.65 176.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.481 HG23 ' O ' ' F' ' 14' ' ' ALA . 75.4 t -73.35 -35.02 45.14 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.299 0 N-CA-C 108.667 -0.864 . . . . 15.2 108.667 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 19' ' ' CYS . . . . . 0.409 ' HB2' ' HA ' ' F' ' 16' ' ' TYR . 75.3 m -76.15 -28.5 57.42 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.406 -0.809 . . . . 40.0 109.168 179.669 -71.183 -94.058 171.292 103.645 2.018 103.899 78.881 -157.111 2 2 . 1 . 001 nuclear build full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.07 -107.82 2.42 Favored Glycine 0 N--CA 1.487 2.094 0 N-CA-C 109.505 -1.438 . . . . 40.0 109.505 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -88.02 -22.59 24.15 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.27 -1.135 . . . . 40.0 109.608 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 22' ' ' ARG . . . . . . . . . . . . . 18.8 mtm180 -61.34 173.66 0.85 Allowed 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.275 -0.89 . . . . 40.0 109.913 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 23' ' ' GLY . . . . . 0.445 ' HA3' HG22 ' H' ' 27' ' ' THR . . . -118.34 -174.97 16.49 Favored Glycine 0 N--CA 1.488 2.107 0 N-CA-C 109.597 -1.401 . . . . 27.92 109.597 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 24' ' ' PHE . . . . . 0.49 ' CE1' ' HB3' ' F' ' 16' ' ' TYR . 12.7 p90 -160.51 159.04 30.25 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.324 -1.104 . . . . 40.0 109.841 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -105.33 123.89 48.63 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.515 -0.92 . . . . 40.0 108.515 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 26' ' ' TYR . . . . . 0.407 ' OH ' ' HA3' ' F' ' 8' ' ' GLY . 60.5 t80 -112.74 115.54 28.68 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.42 -0.8 . . . . 40.0 109.932 -179.211 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 27' ' ' THR . . . . . 0.502 HG22 ' HA3' ' H' ' 23' ' ' GLY . 2.3 p -123.95 97.21 41.36 Favored Pre-proline 0 N--CA 1.488 1.44 0 O-C-N 121.156 -0.965 . . . . 40.0 109.192 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 28' ' ' PRO . . . . . 0.55 ' HA ' HG21 ' E' ' 3' ' ' VAL . 36.8 Cg_endo -79.6 60.23 7.73 Favored 'Trans proline' 0 C--O 1.215 -0.637 0 C-N-CA 121.464 1.443 . . . . 40.0 109.901 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -153.43 106.36 2.94 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.2 -0.937 . . . . 40.0 109.289 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 118.023 -0.989 . . . . 40.0 109.337 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.335 0 N-CA-C 109.489 -1.444 . . . . 40.0 109.489 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 2' ' ' ILE . . . . . 0.528 HG23 ' N ' ' G' ' 3' ' ' VAL . 12.2 tt -129.15 -42.4 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.216 -1.167 . . . . 34.81 109.156 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 3' ' ' VAL . . . . . 0.555 HG21 ' HA ' ' H' ' 28' ' ' PRO . 24.9 t -64.25 -59.34 4.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 O-C-N 121.446 -0.784 . . . . 40.0 109.469 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 61.0 tt0 -62.48 -17.2 59.05 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.533 -0.729 . . . . 40.0 110.409 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -90.1 -39.21 13.03 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 120.914 -1.116 . . . . 34.81 110.738 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 59.2 m -98.93 -16.71 18.68 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.021 -1.05 . . . . 17.7 111.334 -178.337 -55.143 -41.823 -90.493 104.8 2.023 104.172 131.918 -75.494 1 1 . 1 . 001 nuclear build full ' G' G ' 7' ' ' CYS . . . . . 0.576 ' C ' HG13 ' D' ' 2' ' ' VAL . 25.4 t -96.22 23.12 6.9 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 119.133 -1.027 . . . . 37.9 109.673 179.308 -169.506 96.973 113.842 105.245 2.018 101.435 175.436 -172.101 2 2 . 1 . 001 nuclear build full ' G' G ' 8' ' ' THR . . . . . 0.418 ' C ' HG12 ' D' ' 2' ' ' VAL . 4.3 p -113.22 -43.57 3.35 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 120.858 -1.151 . . . . 40.0 108.04 178.537 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 9' ' ' SER . . . . . 0.459 ' C ' HD12 ' G' ' 10' ' ' ILE . 1.3 m -151.78 27.61 0.63 Allowed 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.858 -0.793 . . . . 40.0 108.858 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 10' ' ' ILE . . . . . 0.478 HG23 ' C1 ' ' G' ' 22' ' ' IPH . 4.5 mp 62.79 132.44 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 CA-C-O 121.62 0.724 . . . . 37.27 110.28 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 55.5 m -84.77 172.8 11.18 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.97 -0.752 . . . . 16.01 108.97 179.475 -75.494 131.918 -90.493 104.172 2.023 104.8 -41.823 -55.143 1 1 . 1 . 001 nuclear build full ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 45.8 m -90.41 161.17 15.69 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.205 -0.934 . . . . 40.0 109.163 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 8.0 tt -55.07 -42.25 72.53 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.447 -0.783 . . . . 40.0 109.796 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -69.39 -35.35 75.71 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.03 -1.043 . . . . 40.0 109.928 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -63.99 -34.53 78.2 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.146 -0.971 . . . . 40.0 109.727 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 92.5 mt -68.65 -34.44 75.71 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.286 -0.884 . . . . 20.38 109.833 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -57.81 -35.03 70.28 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.225 -0.922 . . . . 40.0 110.145 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -54.24 -32.07 55.04 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.048 -1.032 . . . . 40.0 109.762 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -89.36 -12.8 39.36 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.22 -0.925 . . . . 40.0 110.526 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 t -55.84 155.97 5.55 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.838 -1.164 . . . . 40.0 109.763 -179.966 -157.063 78.484 171.495 104.062 2.018 103.714 -93.863 -71.13 1 1 . 1 . 001 nuclear build full ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 . . . . . 0 C--N 1.302 -1.464 0 CA-C-O 117.977 -1.011 . . . . 40.0 109.498 -179.891 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 11.2 p90 . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.43 -0.581 . . . . 40.0 109.43 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' H' H ' 2' ' ' VAL . . . . . 0.6 ' O ' HG23 ' H' ' 2' ' ' VAL . 23.2 m -48.4 101.98 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 120.977 -1.077 . . . . 40.0 110.813 -179.248 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 3' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' H' ' 5' ' ' HIS . 1.3 m-80 -108.68 -169.3 1.47 Allowed 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 119.849 -0.741 . . . . 40.0 109.306 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 4' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 59.88 -84.98 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.386 -0.821 . . . . 40.0 109.673 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 5' ' ' HIS . . . . . 0.414 ' N ' ' O ' ' H' ' 3' ' ' ASN . 29.4 t60 -55.07 -21.18 11.68 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.894 -1.129 . . . . 40.0 110.229 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 6' ' ' LEU . . . . . 0.591 HD22 ' CG2' ' H' ' 2' ' ' VAL . 1.0 OUTLIER -113.95 -24.97 8.79 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.176 -0.953 . . . . 40.0 109.49 179.78 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' H' H ' 7' ' ' CYS . . . . . . . . . . . . . 37.9 t -79.74 -47.79 14.7 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.39 -0.819 . . . . 33.01 110.235 -179.321 -172.101 175.436 113.842 101.435 2.018 105.245 96.973 -169.506 1 1 . 1 . 001 nuclear build full ' H' H ' 8' ' ' GLY . . . . . 0.404 ' HA3' ' OH ' ' H' ' 26' ' ' TYR . . . -52.57 -38.88 52.68 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 110.854 -0.899 . . . . 18.57 110.854 -178.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 9' ' ' SER . . . . . 0.42 ' CB ' ' OH ' ' F' ' 16' ' ' TYR . 1.1 p -50.93 -27.67 8.09 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.124 -1.221 . . . . 40.0 110.856 -178.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 36.8 m-70 -102.24 -18.47 15.47 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.301 -0.875 . . . . 40.0 110.769 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 11' ' ' LEU . . . . . 0.563 HD23 ' H3 ' ' G' ' 22' ' ' IPH . 51.0 mt -69.13 -37.85 78.53 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 106.837 -1.542 . . . . 10.78 106.837 177.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 12' ' ' VAL . . . . . 0.662 HG21 HG21 ' F' ' 12' ' ' VAL . 34.2 m -65.57 -34.96 73.91 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.382 0 CA-C-O 121.127 0.489 . . . . 32.43 109.775 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 13' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -56.83 -42.57 79.87 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.067 -1.021 . . . . 40.0 109.232 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 14' ' ' ALA . . . . . 0.484 ' O ' HG23 ' H' ' 18' ' ' VAL . . . -78.62 -29.53 45.97 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.274 -0.891 . . . . 12.9 109.355 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 15' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' H' ' 12' ' ' VAL . 14.1 mt -58.11 -65.04 0.71 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.401 -0.812 . . . . 16.01 110.237 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 16' ' ' TYR . . . . . 0.499 ' HB3' ' CE1' ' H' ' 24' ' ' PHE . 0.1 OUTLIER -68.5 -11.71 60.21 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 119.135 -1.026 . . . . 40.0 110.62 -178.718 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.73 HD11 ' H5 ' ' A' ' 22' ' ' IPH . 1.5 tp -74.09 -40.16 62.92 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 106.719 -1.586 . . . . 40.0 106.719 176.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.484 HG23 ' O ' ' H' ' 14' ' ' ALA . 78.9 t -73.41 -35.06 44.82 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 N-CA-C 108.588 -0.893 . . . . 15.6 108.588 178.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 19' ' ' CYS . . . . . . . . . . . . . 76.2 m -75.95 -28.67 58.01 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.431 -0.793 . . . . 40.0 109.242 179.701 -71.13 -93.863 171.495 103.714 2.018 104.062 78.484 -157.063 1 1 . 1 . 001 nuclear build full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.92 -107.94 2.44 Favored Glycine 0 N--CA 1.487 2.094 0 N-CA-C 109.653 -1.379 . . . . 40.0 109.653 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -87.92 -22.51 24.32 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.277 -1.131 . . . . 40.0 109.676 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 22' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 -61.27 173.19 0.91 Allowed 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.144 -0.973 . . . . 40.0 109.912 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 23' ' ' GLY . . . . . 0.502 ' HA3' HG22 ' F' ' 27' ' ' THR . . . -118.05 -175.08 16.71 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 109.457 -1.457 . . . . 27.92 109.457 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 24' ' ' PHE . . . . . 0.499 ' CE1' ' HB3' ' H' ' 16' ' ' TYR . 12.2 p90 -160.05 159.54 32.11 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.174 -1.192 . . . . 40.0 109.778 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -105.65 123.8 48.51 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.347 -0.983 . . . . 40.0 108.347 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 26' ' ' TYR . . . . . 0.404 ' OH ' ' HA3' ' H' ' 8' ' ' GLY . 61.0 t80 -112.76 115.96 29.34 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.222 -0.924 . . . . 40.0 109.988 -179.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 27' ' ' THR . . . . . 0.445 HG22 ' HA3' ' F' ' 23' ' ' GLY . 2.4 p -124.2 97.36 40.45 Favored Pre-proline 0 N--CA 1.489 1.494 0 O-C-N 121.368 -0.833 . . . . 40.0 109.313 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 28' ' ' PRO . . . . . 0.555 ' HA ' HG21 ' G' ' 3' ' ' VAL . 36.7 Cg_endo -79.95 60.38 7.81 Favored 'Trans proline' 0 C--O 1.215 -0.671 0 C-N-CA 121.413 1.409 . . . . 40.0 109.814 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -153.54 106.49 2.93 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.271 -0.893 . . . . 40.0 109.383 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 118.015 -0.993 . . . . 40.0 109.328 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.463 0 N-CA-C 109.477 -1.449 . . . . 40.0 109.477 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' I' I ' 2' ' ' ILE . . . . . 0.544 HG23 ' N ' ' I' ' 3' ' ' VAL . 12.1 tt -129.17 -42.4 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.14 -1.212 . . . . 34.81 109.138 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 3' ' ' VAL . . . . . 0.544 ' N ' HG23 ' I' ' 2' ' ' ILE . 24.1 t -64.27 -59.23 4.55 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 O-C-N 121.44 -0.787 . . . . 40.0 109.538 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -62.61 -17.18 59.7 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.562 -0.711 . . . . 40.0 110.395 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -89.98 -39.66 12.83 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.865 -1.147 . . . . 34.81 110.674 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 58.8 m -98.43 -17.23 18.9 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.981 -1.074 . . . . 17.7 111.347 -178.298 -54.94 -41.903 -90.646 104.802 2.022 104.292 131.902 -75.379 1 1 . 1 . 001 nuclear build full ' I' I ' 7' ' ' CYS . . . . . 0.582 ' C ' HG13 ' B' ' 2' ' ' VAL . 25.6 t -95.93 24.03 5.85 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.074 -1.016 . . . . 37.9 109.611 179.413 -169.53 96.825 113.899 105.171 2.019 101.269 175.57 -171.962 2 2 . 1 . 001 nuclear build full ' I' I ' 8' ' ' THR . . . . . 0.408 ' C ' HG12 ' B' ' 2' ' ' VAL . 4.0 p -114.03 -44.15 3.18 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 107.975 -1.12 . . . . 40.0 107.975 178.392 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 9' ' ' SER . . . . . 0.457 ' C ' HD12 ' I' ' 10' ' ' ILE . 1.3 m -151.66 27.89 0.63 Allowed 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.875 -0.787 . . . . 40.0 108.875 179.371 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 10' ' ' ILE . . . . . 0.483 HG23 ' C1 ' ' I' ' 22' ' ' IPH . 4.4 mp 62.66 132.75 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 CA-C-O 121.726 0.774 . . . . 37.27 110.288 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 11' ' ' CYS . . . . . 0.401 ' N ' ' O1 ' ' I' ' 22' ' ' IPH . 55.8 m -85.12 172.77 10.97 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 108.878 -0.786 . . . . 16.01 108.878 179.464 -75.379 131.902 -90.646 104.292 2.022 104.802 -41.903 -54.94 2 2 . 1 . 001 nuclear build full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 47.3 m -90.3 160.92 15.89 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.255 -0.903 . . . . 40.0 109.159 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 8.0 tt -54.9 -42.31 71.99 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.356 -0.84 . . . . 40.0 109.758 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -69.29 -35.07 75.64 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.135 -0.978 . . . . 40.0 109.954 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -64.28 -34.24 77.66 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.238 -0.914 . . . . 40.0 109.77 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 91.6 mt -68.83 -34.7 75.94 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.277 -0.89 . . . . 19.92 109.812 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -57.4 -35.05 69.53 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.223 -0.923 . . . . 40.0 110.089 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -54.35 -31.97 55.74 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.162 -0.961 . . . . 40.0 109.744 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -89.59 -12.87 38.53 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.192 -0.943 . . . . 40.0 110.351 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 t -55.86 155.89 5.66 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.789 -1.194 . . . . 40.0 109.67 -179.89 -157.154 78.695 171.33 104.068 2.017 103.597 -93.833 -70.995 1 1 . 1 . 001 nuclear build full ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 . . . . . 0 C--N 1.302 -1.48 0 CA-C-O 118.032 -0.985 . . . . 40.0 109.481 -179.813 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 10.9 p90 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.526 -0.546 . . . . 40.0 109.526 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' J' J ' 2' ' ' VAL . . . . . 0.603 HG23 ' O ' ' J' ' 2' ' ' VAL . 24.2 m -48.43 101.71 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.173 0 O-C-N 120.997 -1.064 . . . . 40.0 110.683 -179.166 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 3' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' J' ' 5' ' ' HIS . 1.3 m-80 -108.37 -169.32 1.49 Allowed 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.544 -0.722 . . . . 40.0 109.386 -179.346 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 4' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 59.95 -84.95 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.354 -0.841 . . . . 40.0 109.789 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 5' ' ' HIS . . . . . 0.411 ' N ' ' O ' ' J' ' 3' ' ' ASN . 29.3 t60 -55.03 -21.29 11.74 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.052 -1.03 . . . . 40.0 110.294 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 6' ' ' LEU . . . . . 0.6 HD22 ' CG2' ' J' ' 2' ' ' VAL . 1.0 OUTLIER -113.71 -25.33 8.72 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.252 -0.905 . . . . 40.0 109.436 179.769 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' J' J ' 7' ' ' CYS . . . . . . . . . . . . . 37.4 t -79.41 -48.11 14.56 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.489 -0.757 . . . . 33.61 110.338 -179.316 -171.962 175.57 113.899 101.269 2.019 105.171 96.825 -169.53 1 1 . 1 . 001 nuclear build full ' J' J ' 8' ' ' GLY . . . . . 0.405 ' HA3' ' OH ' ' J' ' 26' ' ' TYR . . . -52.34 -38.82 50.67 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 110.958 -0.857 . . . . 18.57 110.958 -178.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 9' ' ' SER . . . . . 0.417 ' CB ' ' OH ' ' L' ' 16' ' ' TYR . 1.0 OUTLIER -51.15 -27.66 9.17 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.076 -1.249 . . . . 40.0 110.819 -178.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -102.14 -18.45 15.55 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.23 -0.919 . . . . 40.0 110.683 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 11' ' ' LEU . . . . . 0.551 HD23 ' H3 ' ' I' ' 22' ' ' IPH . 49.5 mt -69.23 -37.5 78.05 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 106.849 -1.537 . . . . 10.78 106.849 177.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 12' ' ' VAL . . . . . 0.694 HG21 HG21 ' L' ' 12' ' ' VAL . 34.1 m -66.07 -34.47 70.44 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 O-C-N 121.86 -0.525 . . . . 32.43 109.758 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 13' ' ' GLU . . . . . 0.41 ' HG2' ' CB ' ' L' ' 9' ' ' SER . 26.4 mt-10 -57.14 -42.63 81.35 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.054 -1.029 . . . . 40.0 109.204 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 14' ' ' ALA . . . . . 0.481 ' O ' HG23 ' J' ' 18' ' ' VAL . . . -78.47 -29.35 46.76 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.177 -0.952 . . . . 12.9 109.367 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 15' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' J' ' 12' ' ' VAL . 14.1 mt -58.12 -65.14 0.69 Allowed 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.336 -0.853 . . . . 15.6 110.247 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 16' ' ' TYR . . . . . 0.494 ' HB3' ' CE1' ' J' ' 24' ' ' PHE . 0.1 OUTLIER -68.64 -11.4 60.06 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 119.014 -1.074 . . . . 40.0 110.717 -178.489 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.766 HD11 ' H5 ' ' C' ' 22' ' ' IPH . 1.5 tp -74.39 -40.04 62.31 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 106.695 -1.594 . . . . 40.0 106.695 176.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 18' ' ' VAL . . . . . 0.481 HG23 ' O ' ' J' ' 14' ' ' ALA . 78.6 t -73.45 -34.73 43.68 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 N-CA-C 108.643 -0.873 . . . . 15.2 108.643 178.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 19' ' ' CYS . . . . . 0.404 ' HB2' ' HA ' ' J' ' 16' ' ' TYR . 78.6 m -76.42 -28.29 56.59 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.496 -0.752 . . . . 40.0 109.303 179.63 -70.995 -93.833 171.33 103.597 2.017 104.068 78.695 -157.154 2 2 . 1 . 001 nuclear build full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.51 -107.84 2.4 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.689 -1.364 . . . . 40.0 109.689 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -87.98 -22.33 24.34 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.175 -1.191 . . . . 40.0 109.739 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 22' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -61.5 173.17 0.99 Allowed 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.091 -1.005 . . . . 40.0 109.903 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 23' ' ' GLY . . . . . 0.442 ' HA3' HG22 ' L' ' 27' ' ' THR . . . -118.34 -174.97 16.49 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.41 -1.476 . . . . 28.47 109.41 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 24' ' ' PHE . . . . . 0.494 ' CE1' ' HB3' ' J' ' 16' ' ' TYR . 12.5 p90 -160.09 159.67 32.15 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.328 -1.101 . . . . 40.0 109.813 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -105.51 123.72 48.36 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.499 -0.926 . . . . 40.0 108.499 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 26' ' ' TYR . . . . . 0.405 ' OH ' ' HA3' ' J' ' 8' ' ' GLY . 59.7 t80 -112.59 115.62 28.89 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.249 -0.907 . . . . 40.0 110.039 -179.295 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 27' ' ' THR . . . . . 0.435 ' HA ' ' HA3' ' L' ' 23' ' ' GLY . 2.5 p -124.13 97.06 41.13 Favored Pre-proline 0 N--CA 1.488 1.449 0 O-C-N 121.315 -0.865 . . . . 40.0 109.118 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 28' ' ' PRO . . . . . 0.532 ' HA ' HG21 ' I' ' 3' ' ' VAL . 36.5 Cg_endo -79.49 60.43 7.81 Favored 'Trans proline' 0 C--O 1.216 -0.607 0 C-N-CA 121.382 1.388 . . . . 40.0 109.848 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -153.42 106.56 2.96 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.342 -0.849 . . . . 40.0 109.283 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 118.027 -0.987 . . . . 40.0 109.321 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.381 0 N-CA-C 109.483 -1.447 . . . . 40.0 109.483 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' K' K ' 2' ' ' ILE . . . . . 0.543 HG23 ' N ' ' K' ' 3' ' ' VAL . 12.2 tt -129.2 -42.14 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.135 -1.215 . . . . 34.81 109.247 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 3' ' ' VAL . . . . . 0.548 HG21 ' HA ' ' L' ' 28' ' ' PRO . 24.3 t -64.65 -59.22 4.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 O-C-N 121.412 -0.805 . . . . 40.0 109.543 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -62.64 -17.24 60.0 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.547 -0.721 . . . . 40.0 110.356 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -90.05 -39.21 13.07 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.817 -1.177 . . . . 35.41 110.714 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 59.1 m -98.89 -16.88 18.65 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.065 -1.022 . . . . 17.7 111.276 -178.329 -55.098 -41.853 -90.603 104.77 2.024 104.278 132.011 -75.426 1 1 . 1 . 001 nuclear build full ' K' K ' 7' ' ' CYS . . . . . 0.589 ' C ' HG13 ' H' ' 2' ' ' VAL . 25.4 t -96.13 23.5 6.47 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 119.163 -1.015 . . . . 37.9 109.73 179.342 -169.516 96.885 113.868 105.23 2.018 101.494 175.45 -172.042 2 2 . 1 . 001 nuclear build full ' K' K ' 8' ' ' THR . . . . . 0.417 ' C ' HG12 ' H' ' 2' ' ' VAL . 4.5 p -113.67 -43.75 3.27 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.889 -1.132 . . . . 40.0 108.021 178.577 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 9' ' ' SER . . . . . 0.462 ' C ' HD12 ' K' ' 10' ' ' ILE . 1.4 m -151.75 27.62 0.63 Allowed 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.91 -0.774 . . . . 40.0 108.91 179.179 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 10' ' ' ILE . . . . . 0.485 HG23 ' C1 ' ' K' ' 22' ' ' IPH . 4.5 mp 62.86 132.56 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 CA-C-O 121.688 0.756 . . . . 37.27 110.209 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 55.7 m -84.89 173.04 10.91 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.77 -0.826 . . . . 16.01 108.77 179.474 -75.426 132.011 -90.603 104.278 2.024 104.77 -41.853 -55.098 1 1 . 1 . 001 nuclear build full ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 44.6 m -90.61 160.95 15.64 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.33 -0.856 . . . . 40.0 109.134 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 8.0 tt -54.71 -42.66 71.75 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.423 -0.798 . . . . 40.0 109.869 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -68.9 -35.08 76.42 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.003 -1.061 . . . . 40.0 109.99 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -64.45 -34.13 77.47 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.102 -0.999 . . . . 40.0 109.844 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 93.4 mt -69.14 -34.36 74.9 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.251 -0.906 . . . . 20.38 109.661 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -57.85 -35.26 70.68 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.209 -0.932 . . . . 40.0 110.011 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -54.02 -32.11 53.29 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.161 -0.962 . . . . 40.0 109.948 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -89.57 -12.99 38.27 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.166 -0.959 . . . . 40.0 110.334 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 t -55.76 155.84 5.54 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.766 -1.209 . . . . 40.0 109.685 -179.97 -157.224 78.717 171.149 104.077 2.017 103.641 -93.954 -71.069 1 1 . 1 . 001 nuclear build full ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 . . . . . 0 C--N 1.303 -1.454 0 CA-C-O 117.985 -1.007 . . . . 40.0 109.489 -179.832 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 11.3 p90 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.527 -0.546 . . . . 40.0 109.527 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' L' L ' 2' ' ' VAL . . . . . 0.608 HG23 ' O ' ' L' ' 2' ' ' VAL . 22.1 m -48.4 101.79 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 O-C-N 121.018 -1.051 . . . . 40.0 110.755 -179.223 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 3' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' L' ' 5' ' ' HIS . 1.3 m-80 -108.42 -169.22 1.47 Allowed 'General case' 0 C--N 1.299 -1.598 0 C-N-CA 119.866 -0.733 . . . . 40.0 109.179 -179.293 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 4' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 59.85 -84.87 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.458 -0.776 . . . . 40.0 109.758 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 5' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' L' ' 3' ' ' ASN . 29.4 t60 -55.04 -21.47 12.41 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.999 -1.063 . . . . 40.0 110.245 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 6' ' ' LEU . . . . . 0.592 HD22 ' CG2' ' L' ' 2' ' ' VAL . 1.0 OUTLIER -113.6 -25.37 8.75 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.274 -0.891 . . . . 40.0 109.423 179.87 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' L' L ' 7' ' ' CYS . . . . . . . . . . . . . 37.7 t -79.34 -47.85 15.08 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.412 -0.805 . . . . 33.61 110.306 -179.266 -172.042 175.45 113.868 101.494 2.018 105.23 96.885 -169.516 1 1 . 1 . 001 nuclear build full ' L' L ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.83 -38.58 54.4 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 111.012 -0.835 . . . . 18.57 111.012 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 9' ' ' SER . . . . . 0.418 ' CB ' ' OH ' ' J' ' 16' ' ' TYR . 1.0 OUTLIER -51.15 -27.5 8.77 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.188 -1.183 . . . . 40.0 110.831 -178.925 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 37.0 m-70 -102.43 -18.37 15.39 Favored 'General case' 0 C--N 1.303 -1.426 0 C-N-CA 119.395 -0.922 . . . . 40.0 110.671 -178.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 11' ' ' LEU . . . . . 0.548 HD23 ' H3 ' ' K' ' 22' ' ' IPH . 49.8 mt -69.12 -37.59 78.42 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 106.906 -1.516 . . . . 10.78 106.906 177.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 12' ' ' VAL . . . . . 0.694 HG21 HG21 ' J' ' 12' ' ' VAL . 34.0 m -65.79 -34.51 70.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 CA-C-O 121.185 0.517 . . . . 32.43 109.812 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 13' ' ' GLU . . . . . 0.408 ' HG2' ' CB ' ' J' ' 9' ' ' SER . 26.1 mt-10 -57.16 -42.76 81.67 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.109 -0.994 . . . . 40.0 109.236 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 14' ' ' ALA . . . . . 0.48 ' O ' HG23 ' L' ' 18' ' ' VAL . . . -78.56 -29.36 46.26 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.295 -0.878 . . . . 12.9 109.245 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 15' ' ' LEU . . . . . 0.448 ' HA ' HD23 ' L' ' 15' ' ' LEU . 14.1 mt -58.03 -65.31 0.66 Allowed 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.381 -0.824 . . . . 15.6 110.233 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 16' ' ' TYR . . . . . 0.498 ' HB3' ' CE1' ' L' ' 24' ' ' PHE . 0.1 OUTLIER -68.48 -11.27 59.56 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 119.039 -1.065 . . . . 40.0 110.702 -178.608 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' L' L ' 17' ' ' LEU . . . . . 0.748 HD11 ' H5 ' ' E' ' 22' ' ' IPH . 1.5 tp -74.28 -40.45 62.29 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 106.66 -1.608 . . . . 40.0 106.66 176.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 18' ' ' VAL . . . . . 0.48 HG23 ' O ' ' L' ' 14' ' ' ALA . 69.0 t -73.11 -34.61 45.62 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 N-CA-C 108.731 -0.841 . . . . 15.2 108.731 178.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 19' ' ' CYS . . . . . . . . . . . . . 77.3 m -76.5 -28.1 56.3 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.531 -0.73 . . . . 40.0 109.116 179.798 -71.069 -93.954 171.149 103.641 2.017 104.077 78.717 -157.224 1 1 . 1 . 001 nuclear build full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.24 -107.64 2.35 Favored Glycine 0 N--CA 1.488 2.107 0 N-CA-C 109.653 -1.379 . . . . 40.0 109.653 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -88.12 -22.14 24.27 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.23 -1.159 . . . . 40.0 109.712 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 22' ' ' ARG . . . . . . . . . . . . . 19.3 mtm180 -61.75 172.85 1.15 Allowed 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.113 -0.992 . . . . 40.0 109.861 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 23' ' ' GLY . . . . . 0.435 ' HA3' ' HA ' ' J' ' 27' ' ' THR . . . -117.91 -175.13 16.81 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.409 -1.477 . . . . 28.47 109.409 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 24' ' ' PHE . . . . . 0.498 ' CE1' ' HB3' ' L' ' 16' ' ' TYR . 12.2 p90 -159.89 159.65 32.67 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.211 -1.17 . . . . 40.0 109.831 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -105.57 123.76 48.44 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 108.527 -0.916 . . . . 40.0 108.527 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -112.76 116.23 29.77 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.179 -0.951 . . . . 40.0 109.828 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 27' ' ' THR . . . . . 0.442 HG22 ' HA3' ' J' ' 23' ' ' GLY . 2.4 p -124.45 97.01 40.36 Favored Pre-proline 0 N--CA 1.489 1.499 0 O-C-N 121.303 -0.873 . . . . 40.0 109.16 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 28' ' ' PRO . . . . . 0.548 ' HA ' HG21 ' K' ' 3' ' ' VAL . 36.6 Cg_endo -79.72 60.27 7.75 Favored 'Trans proline' 0 C--O 1.216 -0.624 0 C-N-CA 121.491 1.461 . . . . 40.0 109.83 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -153.32 106.28 2.95 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.396 -0.815 . . . . 40.0 109.267 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 117.997 -1.001 . . . . 40.0 109.305 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' IPH . . . . . 0.73 ' H5 ' HD11 ' H' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' IPH . . . . . 0.766 ' H5 ' HD11 ' J' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 22' ' ' IPH . . . . . 0.748 ' H5 ' HD11 ' L' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 22' ' ' IPH . . . . . 0.749 ' H5 ' HD11 ' B' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 22' ' ' IPH . . . . . 0.759 ' H5 ' HD11 ' D' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 22' ' ' IPH . . . . . 0.756 ' H5 ' HD11 ' F' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.407 0 N-CA-C 109.553 -1.419 . . . . 40.0 109.553 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.549 HG23 ' N ' ' A' ' 3' ' ' VAL . 12.3 tt -129.52 -42.29 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.307 -1.113 . . . . 34.810000000000002 109.195 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.549 ' N ' HG23 ' A' ' 2' ' ' ILE . 24.4 t -64.43 -59.51 4.11 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 O-C-N 121.427 -0.796 . . . . 40.0 109.501 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -62.4 -16.89 57.48 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.404 -0.81 . . . . 40.0 110.412 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -90.38 -39.01 12.93 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.929 -1.107 . . . . 34.200000000000003 110.727 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.0 m -99.22 -16.74 18.43 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.962 -1.086 . . . . 17.699999999999999 111.243 -178.402 -55.074 -41.874 -90.608 104.779 2.022 104.17 131.951 -75.369 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.58 ' C ' HG13 ' F' ' 2' ' ' VAL . 26.8 t -96.47 24.08 6.21 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 119.101 -1.039 . . . . 37.899999999999999 109.66 179.394 -169.677 96.965 113.904 105.132 2.017 101.318 175.588 -171.981 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.417 ' C ' HG12 ' F' ' 2' ' ' VAL . 4.3 p -113.91 -44.19 3.19 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.877 -1.14 . . . . 40.0 107.957 178.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.466 ' C ' HD12 ' A' ' 10' ' ' ILE . 1.4 m -151.46 27.65 0.66 Allowed 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.979 -0.748 . . . . 40.0 108.979 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.487 HG23 ' C1 ' ' A' ' 22' ' ' IPH . 4.5 mp 62.77 132.54 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 CA-C-O 121.615 0.721 . . . . 36.649999999999999 110.319 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 55.8 m -84.92 172.48 11.33 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.893 -0.78 . . . . 16.010000000000002 108.893 179.478 -75.369 131.951 -90.608 104.17 2.022 104.779 -41.874 -55.074 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.0 m -90.11 161.09 15.95 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.226 -0.921 . . . . 40.0 109.252 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.0 tt -54.99 -42.54 72.58 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.341 -0.849 . . . . 40.0 109.825 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -68.98 -35.54 76.85 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.053 -1.029 . . . . 40.0 109.91 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -63.69 -34.98 79.07 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.262 -0.899 . . . . 40.0 109.77 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.9 mt -68.35 -34.66 76.49 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.209 -0.932 . . . . 20.379999999999999 109.884 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -57.42 -35.32 69.92 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.203 -0.936 . . . . 40.0 110.181 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -53.9 -32.22 52.6 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.063 -1.023 . . . . 40.0 109.872 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -89.42 -12.99 38.67 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.223 -0.923 . . . . 40.0 110.362 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 t -55.6 155.94 5.18 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 120.803 -1.186 . . . . 40.0 109.694 -179.971 -157.12 78.22 171.54 104.062 2.017 103.7 -93.72 -71.031 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 . . . . . 0 C--N 1.302 -1.475 0 CA-C-O 118.006 -0.997 . . . . 40.0 109.452 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 11.3 p90 . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.487 -0.56 . . . . 40.0 109.487 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.591 ' CG2' HD22 ' B' ' 6' ' ' LEU . 21.0 m -48.46 102.11 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 121.096 -1.002 . . . . 40.0 110.78 -179.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . 0.412 ' O ' ' N ' ' B' ' 5' ' ' HIS . 1.3 m-80 -108.58 -169.34 1.48 Allowed 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.518 -0.739 . . . . 40.0 109.224 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 59.91 -84.86 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.455 -0.778 . . . . 40.0 109.771 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.412 ' N ' ' O ' ' B' ' 3' ' ' ASN . 29.3 t60 -55.11 -21.45 12.96 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.886 -1.134 . . . . 40.0 110.2 -179.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.591 HD22 ' CG2' ' B' ' 2' ' ' VAL . 1.0 OUTLIER -113.62 -25.11 8.86 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.227 -0.921 . . . . 40.0 109.516 179.795 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 37.5 t -79.63 -47.88 14.69 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.389 -0.819 . . . . 33.609999999999999 110.424 -179.342 -171.981 175.588 113.904 101.318 2.017 105.132 96.965 -169.677 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . 0.409 ' HA3' ' OH ' ' B' ' 26' ' ' TYR . . . -53.17 -37.75 55.14 Favored Glycine 0 N--CA 1.488 2.166 0 N-CA-C 111.059 -0.816 . . . . 18.57 111.059 -178.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . 0.424 ' CB ' ' OH ' ' D' ' 16' ' ' TYR . 1.0 OUTLIER -51.62 -27.62 11.84 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.031 -1.276 . . . . 40.0 110.718 -179.111 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -102.17 -18.46 15.52 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 119.383 -0.927 . . . . 40.0 110.77 -178.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.557 HD23 ' H3 ' ' A' ' 22' ' ' IPH . 49.4 mt -69.15 -37.15 78.11 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 106.893 -1.521 . . . . 10.779999999999999 106.893 177.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.683 HG21 HG21 ' D' ' 12' ' ' VAL . 34.2 m -66.1 -34.89 73.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 CA-C-O 121.183 0.516 . . . . 32.43 109.822 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -57.08 -42.36 80.54 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.107 -0.996 . . . . 40.0 109.172 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.461 ' O ' HG23 ' B' ' 18' ' ' VAL . . . -78.77 -29.8 45.27 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.2 -0.937 . . . . 12.9 109.289 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' B' ' 12' ' ' VAL . 14.0 mt -57.8 -65.0 0.71 Allowed 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.33 -0.856 . . . . 16.010000000000002 110.137 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.503 ' HB3' ' CE1' ' B' ' 24' ' ' PHE . 0.1 OUTLIER -68.62 -11.41 60.03 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 119.057 -1.057 . . . . 40.0 110.719 -178.607 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.749 HD11 ' H5 ' ' G' ' 22' ' ' IPH . 1.5 tp -74.37 -40.06 62.35 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 106.652 -1.61 . . . . 40.0 106.652 176.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 14' ' ' ALA . 78.7 t -73.33 -35.52 46.58 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 N-CA-C 108.56 -0.904 . . . . 16.010000000000002 108.56 178.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 77.9 m -75.63 -28.37 58.79 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.475 -0.766 . . . . 40.0 109.218 179.712 -71.031 -93.72 171.54 103.7 2.017 104.062 78.22 -157.12 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.78 -108.17 2.49 Favored Glycine 0 N--CA 1.487 2.073 0 N-CA-C 109.535 -1.426 . . . . 40.0 109.535 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -87.93 -22.32 24.41 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.318 -1.107 . . . . 40.0 109.727 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 19.1 mtm180 -61.35 173.4 0.9 Allowed 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.125 -0.985 . . . . 40.0 109.825 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.436 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . -118.44 -174.92 16.41 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.308 -1.517 . . . . 28.469999999999999 109.308 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . 0.503 ' CE1' ' HB3' ' B' ' 16' ' ' TYR . 12.2 p90 -159.95 159.98 32.9 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.155 -1.203 . . . . 40.0 109.786 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -105.71 123.98 48.82 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.488 -0.93 . . . . 40.0 108.488 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.409 ' OH ' ' HA3' ' B' ' 8' ' ' GLY . 60.2 t80 -112.94 116.34 29.83 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.286 -0.884 . . . . 40.0 109.936 -179.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.451 HG22 ' HA3' ' D' ' 23' ' ' GLY . 2.4 p -124.65 97.28 39.37 Favored Pre-proline 0 N--CA 1.489 1.475 0 O-C-N 121.318 -0.863 . . . . 40.0 109.201 179.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.543 ' HA ' HG21 ' A' ' 3' ' ' VAL . 36.5 Cg_endo -79.87 60.63 7.91 Favored 'Trans proline' 0 C--O 1.213 -0.74 0 C-N-CA 121.402 1.401 . . . . 40.0 109.77 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -153.65 106.05 2.86 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.367 -0.833 . . . . 40.0 109.358 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 118.024 -0.988 . . . . 40.0 109.439 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.428 0 N-CA-C 109.403 -1.479 . . . . 40.0 109.403 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' ILE . . . . . 0.539 HG23 ' N ' ' C' ' 3' ' ' VAL . 12.2 tt -129.19 -42.41 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.242 -1.152 . . . . 34.810000000000002 109.125 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . 0.539 ' N ' HG23 ' C' ' 2' ' ' ILE . 24.7 t -64.26 -59.12 4.71 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 O-C-N 121.379 -0.826 . . . . 40.0 109.52 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -62.78 -17.1 60.58 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.496 -0.752 . . . . 40.0 110.413 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -90.17 -39.19 12.99 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.853 -1.154 . . . . 35.409999999999997 110.712 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 59.2 m -98.94 -17.04 18.55 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.012 -1.055 . . . . 17.699999999999999 111.22 -178.359 -55.157 -41.855 -90.487 104.777 2.023 104.189 131.973 -75.684 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' CYS . . . . . 0.582 ' C ' HG13 ' L' ' 2' ' ' VAL . 26.5 t -96.12 23.99 6.03 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 119.126 -1.03 . . . . 37.899999999999999 109.688 179.416 -169.644 96.865 114.087 105.141 2.018 101.34 175.588 -172.283 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . 0.41 ' C ' HG12 ' L' ' 2' ' ' VAL . 4.3 p -114.0 -44.41 3.16 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.863 -1.162 . . . . 40.0 107.863 178.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . 0.457 ' C ' HD12 ' C' ' 10' ' ' ILE . 1.3 m -151.3 27.9 0.66 Allowed 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.863 -0.792 . . . . 40.0 108.863 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.473 HG23 ' C1 ' ' C' ' 22' ' ' IPH . 4.5 mp 62.6 132.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 CA-C-O 121.671 0.748 . . . . 37.270000000000003 110.26 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 54.5 m -85.07 172.62 11.12 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.915 -0.772 . . . . 16.010000000000002 108.915 179.418 -75.684 131.973 -90.487 104.189 2.023 104.777 -41.855 -55.157 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 40.6 m -90.11 161.02 15.98 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.315 -0.865 . . . . 40.0 109.136 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 7.9 tt -54.76 -42.7 71.98 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.394 -0.816 . . . . 40.0 109.862 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -68.81 -35.25 76.77 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.042 -1.036 . . . . 40.0 110.026 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -64.13 -34.42 78.03 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.185 -0.947 . . . . 40.0 109.803 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 92.3 mt -68.63 -34.78 76.34 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.23 -0.919 . . . . 20.379999999999999 109.907 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -57.53 -35.3 70.11 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.174 -0.954 . . . . 40.0 110.108 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -53.96 -31.85 51.91 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.025 -1.047 . . . . 40.0 109.95 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -89.69 -13.19 37.48 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.254 -0.904 . . . . 40.0 110.439 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 4.8 t -55.54 156.11 4.92 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.769 -1.207 . . . . 40.0 109.7 -179.881 -157.356 78.8 171.023 103.905 2.016 103.604 -93.863 -71.041 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 . . . . . 0 C--N 1.3 -1.545 0 CA-C-O 117.955 -1.021 . . . . 40.0 109.6 -179.895 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 11.1 p90 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.538 -0.542 . . . . 40.0 109.538 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 2' ' ' VAL . . . . . 0.604 ' CG2' HD22 ' D' ' 6' ' ' LEU . 22.7 m -48.46 101.76 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.117 0 O-C-N 121.038 -1.039 . . . . 40.0 110.762 -179.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 3' ' ' ASN . . . . . 0.418 ' O ' ' N ' ' D' ' 5' ' ' HIS . 1.3 m-80 -108.45 -169.31 1.48 Allowed 'General case' 0 C--N 1.299 -1.621 0 C-N-CA 119.797 -0.761 . . . . 40.0 109.221 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 59.89 -84.73 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.461 -0.774 . . . . 40.0 109.781 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 5' ' ' HIS . . . . . 0.418 ' N ' ' O ' ' D' ' 3' ' ' ASN . 29.7 t60 -55.15 -21.42 13.29 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.034 -1.041 . . . . 40.0 110.282 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . 0.604 HD22 ' CG2' ' D' ' 2' ' ' VAL . 1.0 OUTLIER -113.78 -25.07 8.82 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.204 -0.935 . . . . 40.0 109.45 179.904 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 38.5 t -79.69 -47.81 14.72 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.34 -0.85 . . . . 33.609999999999999 110.32 -179.226 -172.283 175.588 114.087 101.34 2.018 105.141 96.865 -169.644 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 8' ' ' GLY . . . . . 0.405 ' HA3' ' OH ' ' D' ' 26' ' ' TYR . . . -52.97 -38.39 55.23 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 111.064 -0.814 . . . . 18.57 111.064 -178.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . 0.419 ' CB ' ' OH ' ' B' ' 16' ' ' TYR . 1.0 OUTLIER -51.1 -27.8 9.14 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.076 -1.25 . . . . 40.0 110.802 -178.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 36.8 m-70 -102.03 -18.52 15.58 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.227 -0.92 . . . . 40.0 110.694 -178.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 11' ' ' LEU . . . . . 0.541 HD23 ' H3 ' ' C' ' 22' ' ' IPH . 51.1 mt -69.01 -37.41 78.66 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 106.936 -1.505 . . . . 10.779999999999999 106.936 177.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.683 HG21 HG21 ' B' ' 12' ' ' VAL . 34.1 m -66.05 -34.77 72.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 CA-C-O 121.204 0.526 . . . . 32.43 109.798 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -56.71 -42.71 79.63 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.044 -1.035 . . . . 40.0 109.251 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 14' ' ' ALA . . . . . 0.469 ' O ' HG23 ' D' ' 18' ' ' VAL . . . -78.5 -29.76 46.84 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.179 -0.951 . . . . 12.9 109.369 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' D' ' 12' ' ' VAL . 14.2 mt -57.87 -64.98 0.72 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.271 -0.893 . . . . 15.6 110.19 -179.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 16' ' ' TYR . . . . . 0.5 ' HB3' ' CE1' ' D' ' 24' ' ' PHE . 0.1 OUTLIER -68.75 -11.37 60.22 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 119.003 -1.079 . . . . 40.0 110.688 -178.626 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.759 HD11 ' H5 ' ' I' ' 22' ' ' IPH . 1.5 tp -74.27 -40.1 62.54 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 106.67 -1.604 . . . . 40.0 106.67 176.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.469 HG23 ' O ' ' D' ' 14' ' ' ALA . 72.4 t -73.41 -35.03 44.75 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.304 0 N-CA-C 108.667 -0.864 . . . . 15.6 108.667 178.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 77.8 m -76.02 -28.78 57.87 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.441 -0.787 . . . . 40.0 109.096 179.762 -71.041 -93.863 171.023 103.604 2.016 103.905 78.8 -157.356 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.08 -107.93 2.44 Favored Glycine 0 N--CA 1.489 2.187 0 N-CA-C 109.515 -1.434 . . . . 40.0 109.515 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -87.92 -22.46 24.35 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.308 -1.113 . . . . 40.0 109.622 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 -61.63 173.23 1.02 Allowed 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.164 -0.96 . . . . 40.0 109.853 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 23' ' ' GLY . . . . . 0.451 ' HA3' HG22 ' B' ' 27' ' ' THR . . . -118.21 -174.57 16.44 Favored Glycine 0 N--CA 1.489 2.195 0 N-CA-C 109.446 -1.462 . . . . 28.469999999999999 109.446 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 24' ' ' PHE . . . . . 0.5 ' CE1' ' HB3' ' D' ' 16' ' ' TYR . 11.8 p90 -160.41 159.68 31.31 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.264 -1.139 . . . . 40.0 109.837 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -105.78 123.94 48.77 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.464 -0.939 . . . . 40.0 108.464 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 26' ' ' TYR . . . . . 0.405 ' OH ' ' HA3' ' D' ' 8' ' ' GLY . 60.5 t80 -112.98 115.85 29.04 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.319 -0.863 . . . . 40.0 109.92 -179.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 27' ' ' THR . . . . . 0.434 ' HA ' ' HA3' ' B' ' 23' ' ' GLY . 2.4 p -124.08 97.04 41.3 Favored Pre-proline 0 C--N 1.303 -1.429 0 O-C-N 121.279 -0.888 . . . . 40.0 109.246 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 28' ' ' PRO . . . . . 0.526 ' HA ' HG21 ' C' ' 3' ' ' VAL . 36.3 Cg_endo -79.62 60.37 7.79 Favored 'Trans proline' 0 C--O 1.215 -0.642 0 C-N-CA 121.438 1.425 . . . . 40.0 109.774 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -153.45 106.52 2.95 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.302 -0.874 . . . . 40.0 109.323 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 117.974 -1.012 . . . . 40.0 109.199 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.332 0 N-CA-C 109.511 -1.436 . . . . 40.0 109.511 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 2' ' ' ILE . . . . . 0.532 HG23 ' N ' ' E' ' 3' ' ' VAL . 12.2 tt -129.16 -42.47 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.221 -1.164 . . . . 34.810000000000002 109.122 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . 0.55 HG21 ' HA ' ' F' ' 28' ' ' PRO . 23.5 t -64.19 -59.77 3.75 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 O-C-N 121.433 -0.792 . . . . 40.0 109.433 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 -62.18 -17.26 57.54 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.503 -0.748 . . . . 40.0 110.441 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -90.07 -39.56 12.83 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.849 -1.157 . . . . 34.810000000000002 110.63 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 59.0 m -98.51 -17.05 18.93 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.985 -1.072 . . . . 17.699999999999999 111.363 -178.298 -55.068 -42.004 -90.38 104.735 2.024 104.271 132.001 -75.66 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 7' ' ' CYS . . . . . 0.575 ' C ' HG13 ' J' ' 2' ' ' VAL . 25.6 t -95.95 22.95 6.82 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 119.114 -1.034 . . . . 37.899999999999999 109.764 179.435 -169.532 96.849 114.29 105.088 2.016 101.428 175.172 -172.282 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . 0.417 ' C ' HG12 ' J' ' 2' ' ' VAL . 4.3 p -112.95 -43.86 3.36 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 120.806 -1.184 . . . . 40.0 107.989 178.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 9' ' ' SER . . . . . 0.46 ' C ' HD12 ' E' ' 10' ' ' ILE . 1.4 m -151.78 28.08 0.62 Allowed 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.865 -0.791 . . . . 40.0 108.865 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 10' ' ' ILE . . . . . 0.479 HG23 ' C1 ' ' E' ' 22' ' ' IPH . 4.5 mp 62.46 132.75 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 CA-C-O 121.763 0.792 . . . . 37.270000000000003 110.373 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 54.7 m -85.05 172.77 11.02 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.451 -0.781 . . . . 16.43 108.955 179.403 -75.66 132.001 -90.38 104.271 2.024 104.735 -42.004 -55.068 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 43.4 m -90.15 161.17 15.88 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.227 -0.921 . . . . 40.0 109.162 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 8.1 tt -55.22 -42.27 73.13 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.297 -0.877 . . . . 40.0 109.832 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -69.26 -35.27 75.91 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.046 -1.034 . . . . 40.0 109.935 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -63.86 -34.75 78.63 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.23 -0.919 . . . . 40.0 109.634 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 92.8 mt -68.52 -34.24 75.53 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.221 -0.924 . . . . 20.379999999999999 109.852 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -57.87 -35.12 70.53 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.222 -0.924 . . . . 40.0 110.123 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -54.17 -31.98 54.18 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.98 -1.075 . . . . 40.0 109.869 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -89.56 -12.99 38.27 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.257 -0.902 . . . . 40.0 110.394 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 t -55.78 155.76 5.64 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.685 -1.26 . . . . 40.0 109.645 -179.909 -157.111 78.881 171.292 103.899 2.018 103.645 -94.058 -71.183 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 . . . . . 0 C--N 1.301 -1.519 0 CA-C-O 117.985 -1.007 . . . . 40.0 109.543 -179.933 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 10.9 p90 . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.351 -0.611 . . . . 40.0 109.351 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' F' F ' 2' ' ' VAL . . . . . 0.591 ' CG2' HD22 ' F' ' 6' ' ' LEU . 22.3 m -48.61 101.83 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.075 0 O-C-N 121.104 -0.998 . . . . 40.0 110.734 -179.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 3' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' F' ' 5' ' ' HIS . 1.3 m-80 -108.28 -168.91 1.42 Allowed 'General case' 0 C--N 1.299 -1.598 0 C-N-CA 119.816 -0.754 . . . . 40.0 109.225 -179.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 4' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 59.66 -84.84 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.409 -0.807 . . . . 40.0 109.807 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 5' ' ' HIS . . . . . 0.419 ' N ' ' O ' ' F' ' 3' ' ' ASN . 29.3 t60 -55.03 -21.72 13.21 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.945 -1.097 . . . . 40.0 110.211 -179.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 6' ' ' LEU . . . . . 0.591 HD22 ' CG2' ' F' ' 2' ' ' VAL . 1.0 OUTLIER -113.29 -25.3 8.92 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.203 -0.935 . . . . 40.0 109.445 179.83 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' F' F ' 7' ' ' CYS . . . . . . . . . . . . . 38.4 t -79.55 -47.8 14.92 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.412 -0.805 . . . . 33.609999999999999 110.3 -179.305 -172.282 175.172 114.29 101.428 2.016 105.088 96.849 -169.532 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 8' ' ' GLY . . . . . 0.407 ' HA3' ' OH ' ' F' ' 26' ' ' TYR . . . -52.88 -38.34 54.38 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 110.979 -0.849 . . . . 18.57 110.979 -178.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 9' ' ' SER . . . . . 0.423 ' CB ' ' OH ' ' H' ' 16' ' ' TYR . 1.1 p -51.54 -27.46 10.89 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.148 -1.207 . . . . 40.0 110.859 -178.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -102.26 -18.54 15.42 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.229 -0.919 . . . . 40.0 110.751 -178.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 11' ' ' LEU . . . . . 0.549 HD23 ' H3 ' ' E' ' 22' ' ' IPH . 51.2 mt -68.98 -37.72 78.93 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 106.799 -1.556 . . . . 10.779999999999999 106.799 177.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 0.662 HG21 HG21 ' H' ' 12' ' ' VAL . 34.0 m -65.6 -34.96 73.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 CA-C-O 121.183 0.516 . . . . 32.43 109.866 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 13' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -56.8 -42.74 80.05 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.059 -1.026 . . . . 40.0 109.237 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 14' ' ' ALA . . . . . 0.481 ' O ' HG23 ' F' ' 18' ' ' VAL . . . -78.66 -29.49 45.73 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.342 -0.848 . . . . 12.9 109.255 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 15' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' F' ' 12' ' ' VAL . 14.0 mt -57.96 -65.17 0.69 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.343 -0.848 . . . . 16.010000000000002 110.234 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 16' ' ' TYR . . . . . 0.49 ' HB3' ' CE1' ' F' ' 24' ' ' PHE . 0.1 OUTLIER -68.57 -11.63 60.22 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 119.066 -1.053 . . . . 40.0 110.56 -178.504 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.756 HD11 ' H5 ' ' K' ' 22' ' ' IPH . 1.5 tp -74.14 -40.13 62.83 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 106.65 -1.611 . . . . 40.0 106.65 176.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.481 HG23 ' O ' ' F' ' 14' ' ' ALA . 75.4 t -73.35 -35.02 45.14 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.299 0 N-CA-C 108.667 -0.864 . . . . 15.199999999999999 108.667 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 19' ' ' CYS . . . . . 0.409 ' HB2' ' HA ' ' F' ' 16' ' ' TYR . 75.3 m -76.15 -28.5 57.42 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.406 -0.809 . . . . 40.0 109.168 179.669 -71.183 -94.058 171.292 103.645 2.018 103.899 78.881 -157.111 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.07 -107.82 2.42 Favored Glycine 0 N--CA 1.487 2.094 0 N-CA-C 109.505 -1.438 . . . . 40.0 109.505 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -88.02 -22.59 24.15 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.27 -1.135 . . . . 40.0 109.608 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 22' ' ' ARG . . . . . . . . . . . . . 18.8 mtm180 -61.34 173.66 0.85 Allowed 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.275 -0.89 . . . . 40.0 109.913 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 23' ' ' GLY . . . . . 0.445 ' HA3' HG22 ' H' ' 27' ' ' THR . . . -118.34 -174.97 16.49 Favored Glycine 0 N--CA 1.488 2.107 0 N-CA-C 109.597 -1.401 . . . . 27.920000000000002 109.597 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 24' ' ' PHE . . . . . 0.49 ' CE1' ' HB3' ' F' ' 16' ' ' TYR . 12.7 p90 -160.51 159.04 30.25 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.324 -1.104 . . . . 40.0 109.841 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -105.33 123.89 48.63 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.515 -0.92 . . . . 40.0 108.515 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 26' ' ' TYR . . . . . 0.407 ' OH ' ' HA3' ' F' ' 8' ' ' GLY . 60.5 t80 -112.74 115.54 28.68 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.42 -0.8 . . . . 40.0 109.932 -179.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 27' ' ' THR . . . . . 0.502 HG22 ' HA3' ' H' ' 23' ' ' GLY . 2.3 p -123.95 97.21 41.36 Favored Pre-proline 0 N--CA 1.488 1.44 0 O-C-N 121.156 -0.965 . . . . 40.0 109.192 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 28' ' ' PRO . . . . . 0.55 ' HA ' HG21 ' E' ' 3' ' ' VAL . 36.8 Cg_endo -79.6 60.23 7.73 Favored 'Trans proline' 0 C--O 1.215 -0.637 0 C-N-CA 121.464 1.443 . . . . 40.0 109.901 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -153.43 106.36 2.94 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.2 -0.937 . . . . 40.0 109.289 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 118.023 -0.989 . . . . 40.0 109.337 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.335 0 N-CA-C 109.489 -1.444 . . . . 40.0 109.489 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 2' ' ' ILE . . . . . 0.528 HG23 ' N ' ' G' ' 3' ' ' VAL . 12.2 tt -129.15 -42.4 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.216 -1.167 . . . . 34.810000000000002 109.156 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . 0.555 HG21 ' HA ' ' H' ' 28' ' ' PRO . 24.9 t -64.25 -59.34 4.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 O-C-N 121.446 -0.784 . . . . 40.0 109.469 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 61.0 tt0 -62.48 -17.2 59.05 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.533 -0.729 . . . . 40.0 110.409 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -90.1 -39.21 13.03 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 120.914 -1.116 . . . . 34.810000000000002 110.738 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 59.2 m -98.93 -16.71 18.68 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.021 -1.05 . . . . 17.699999999999999 111.334 -178.337 -55.143 -41.823 -90.493 104.8 2.023 104.172 131.918 -75.494 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 7' ' ' CYS . . . . . 0.576 ' C ' HG13 ' D' ' 2' ' ' VAL . 25.4 t -96.22 23.12 6.9 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 119.133 -1.027 . . . . 37.899999999999999 109.673 179.308 -169.506 96.973 113.842 105.245 2.018 101.435 175.436 -172.101 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 8' ' ' THR . . . . . 0.418 ' C ' HG12 ' D' ' 2' ' ' VAL . 4.3 p -113.22 -43.57 3.35 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 120.858 -1.151 . . . . 40.0 108.04 178.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 9' ' ' SER . . . . . 0.459 ' C ' HD12 ' G' ' 10' ' ' ILE . 1.3 m -151.78 27.61 0.63 Allowed 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.858 -0.793 . . . . 40.0 108.858 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 10' ' ' ILE . . . . . 0.478 HG23 ' C1 ' ' G' ' 22' ' ' IPH . 4.5 mp 62.79 132.44 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 CA-C-O 121.62 0.724 . . . . 37.270000000000003 110.28 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 55.5 m -84.77 172.8 11.18 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.97 -0.752 . . . . 16.010000000000002 108.97 179.475 -75.494 131.918 -90.493 104.172 2.023 104.8 -41.823 -55.143 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 45.8 m -90.41 161.17 15.69 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.205 -0.934 . . . . 40.0 109.163 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 8.0 tt -55.07 -42.25 72.53 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.447 -0.783 . . . . 40.0 109.796 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -69.39 -35.35 75.71 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.03 -1.043 . . . . 40.0 109.928 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -63.99 -34.53 78.2 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.146 -0.971 . . . . 40.0 109.727 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 92.5 mt -68.65 -34.44 75.71 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.286 -0.884 . . . . 20.379999999999999 109.833 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -57.81 -35.03 70.28 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.225 -0.922 . . . . 40.0 110.145 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -54.24 -32.07 55.04 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.048 -1.032 . . . . 40.0 109.762 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -89.36 -12.8 39.36 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.22 -0.925 . . . . 40.0 110.526 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 t -55.84 155.97 5.55 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.838 -1.164 . . . . 40.0 109.763 -179.966 -157.063 78.484 171.495 104.062 2.018 103.714 -93.863 -71.13 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 . . . . . 0 C--N 1.302 -1.464 0 CA-C-O 117.977 -1.011 . . . . 40.0 109.498 -179.891 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 11.2 p90 . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.43 -0.581 . . . . 40.0 109.43 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' H' H ' 2' ' ' VAL . . . . . 0.6 HG23 ' O ' ' H' ' 2' ' ' VAL . 23.2 m -48.4 101.98 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 120.977 -1.077 . . . . 40.0 110.813 -179.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 3' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' H' ' 5' ' ' HIS . 1.3 m-80 -108.68 -169.3 1.47 Allowed 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 119.849 -0.741 . . . . 40.0 109.306 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 4' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 59.88 -84.98 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.386 -0.821 . . . . 40.0 109.673 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 5' ' ' HIS . . . . . 0.414 ' N ' ' O ' ' H' ' 3' ' ' ASN . 29.4 t60 -55.07 -21.18 11.68 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.894 -1.129 . . . . 40.0 110.229 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 6' ' ' LEU . . . . . 0.591 HD22 ' CG2' ' H' ' 2' ' ' VAL . 1.0 OUTLIER -113.95 -24.97 8.79 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.176 -0.953 . . . . 40.0 109.49 179.78 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' H' H ' 7' ' ' CYS . . . . . . . . . . . . . 37.9 t -79.74 -47.79 14.7 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.39 -0.819 . . . . 33.009999999999998 110.235 -179.321 -172.101 175.436 113.842 101.435 2.018 105.245 96.973 -169.506 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 8' ' ' GLY . . . . . 0.404 ' HA3' ' OH ' ' H' ' 26' ' ' TYR . . . -52.57 -38.88 52.68 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 110.854 -0.899 . . . . 18.57 110.854 -178.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 9' ' ' SER . . . . . 0.42 ' CB ' ' OH ' ' F' ' 16' ' ' TYR . 1.1 p -50.93 -27.67 8.09 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.124 -1.221 . . . . 40.0 110.856 -178.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 36.8 m-70 -102.24 -18.47 15.47 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.301 -0.875 . . . . 40.0 110.769 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 11' ' ' LEU . . . . . 0.563 HD23 ' H3 ' ' G' ' 22' ' ' IPH . 51.0 mt -69.13 -37.85 78.53 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 106.837 -1.542 . . . . 10.779999999999999 106.837 177.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . 0.662 HG21 HG21 ' F' ' 12' ' ' VAL . 34.2 m -65.57 -34.96 73.91 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.382 0 CA-C-O 121.127 0.489 . . . . 32.43 109.775 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 13' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -56.83 -42.57 79.87 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.067 -1.021 . . . . 40.0 109.232 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 14' ' ' ALA . . . . . 0.484 ' O ' HG23 ' H' ' 18' ' ' VAL . . . -78.62 -29.53 45.97 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.274 -0.891 . . . . 12.9 109.355 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 15' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' H' ' 12' ' ' VAL . 14.1 mt -58.11 -65.04 0.71 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.401 -0.812 . . . . 16.010000000000002 110.237 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 16' ' ' TYR . . . . . 0.499 ' HB3' ' CE1' ' H' ' 24' ' ' PHE . 0.1 OUTLIER -68.5 -11.71 60.21 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 119.135 -1.026 . . . . 40.0 110.62 -178.718 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.73 HD11 ' H5 ' ' A' ' 22' ' ' IPH . 1.5 tp -74.09 -40.16 62.92 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 106.719 -1.586 . . . . 40.0 106.719 176.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.484 HG23 ' O ' ' H' ' 14' ' ' ALA . 78.9 t -73.41 -35.06 44.82 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 N-CA-C 108.588 -0.893 . . . . 15.6 108.588 178.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 19' ' ' CYS . . . . . . . . . . . . . 76.2 m -75.95 -28.67 58.01 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.431 -0.793 . . . . 40.0 109.242 179.701 -71.13 -93.863 171.495 103.714 2.018 104.062 78.484 -157.063 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.92 -107.94 2.44 Favored Glycine 0 N--CA 1.487 2.094 0 N-CA-C 109.653 -1.379 . . . . 40.0 109.653 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -87.92 -22.51 24.32 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.277 -1.131 . . . . 40.0 109.676 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 22' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 -61.27 173.19 0.91 Allowed 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.144 -0.973 . . . . 40.0 109.912 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 23' ' ' GLY . . . . . 0.502 ' HA3' HG22 ' F' ' 27' ' ' THR . . . -118.05 -175.08 16.71 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 109.457 -1.457 . . . . 27.920000000000002 109.457 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 24' ' ' PHE . . . . . 0.499 ' CE1' ' HB3' ' H' ' 16' ' ' TYR . 12.2 p90 -160.05 159.54 32.11 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.174 -1.192 . . . . 40.0 109.778 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -105.65 123.8 48.51 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.347 -0.983 . . . . 40.0 108.347 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 26' ' ' TYR . . . . . 0.404 ' OH ' ' HA3' ' H' ' 8' ' ' GLY . 61.0 t80 -112.76 115.96 29.34 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.222 -0.924 . . . . 40.0 109.988 -179.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 27' ' ' THR . . . . . 0.445 HG22 ' HA3' ' F' ' 23' ' ' GLY . 2.4 p -124.2 97.36 40.45 Favored Pre-proline 0 N--CA 1.489 1.494 0 O-C-N 121.368 -0.833 . . . . 40.0 109.313 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 28' ' ' PRO . . . . . 0.555 ' HA ' HG21 ' G' ' 3' ' ' VAL . 36.7 Cg_endo -79.95 60.38 7.81 Favored 'Trans proline' 0 C--O 1.215 -0.671 0 C-N-CA 121.413 1.409 . . . . 40.0 109.814 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -153.54 106.49 2.93 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.271 -0.893 . . . . 40.0 109.383 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 118.015 -0.993 . . . . 40.0 109.328 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.463 0 N-CA-C 109.477 -1.449 . . . . 40.0 109.477 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' I' I ' 2' ' ' ILE . . . . . 0.544 HG23 ' N ' ' I' ' 3' ' ' VAL . 12.1 tt -129.17 -42.4 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.14 -1.212 . . . . 34.810000000000002 109.138 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 3' ' ' VAL . . . . . 0.544 ' N ' HG23 ' I' ' 2' ' ' ILE . 24.1 t -64.27 -59.23 4.55 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 O-C-N 121.44 -0.787 . . . . 40.0 109.538 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -62.61 -17.18 59.7 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.562 -0.711 . . . . 40.0 110.395 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -89.98 -39.66 12.83 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.865 -1.147 . . . . 34.810000000000002 110.674 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 58.8 m -98.43 -17.23 18.9 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.981 -1.074 . . . . 17.699999999999999 111.347 -178.298 -54.94 -41.903 -90.646 104.802 2.022 104.292 131.902 -75.379 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 7' ' ' CYS . . . . . 0.582 ' C ' HG13 ' B' ' 2' ' ' VAL . 25.6 t -95.93 24.03 5.85 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.074 -1.016 . . . . 37.899999999999999 109.611 179.413 -169.53 96.825 113.899 105.171 2.019 101.269 175.57 -171.962 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 8' ' ' THR . . . . . 0.408 ' C ' HG12 ' B' ' 2' ' ' VAL . 4.0 p -114.03 -44.15 3.18 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 107.975 -1.12 . . . . 40.0 107.975 178.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 9' ' ' SER . . . . . 0.457 ' C ' HD12 ' I' ' 10' ' ' ILE . 1.3 m -151.66 27.89 0.63 Allowed 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.875 -0.787 . . . . 40.0 108.875 179.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 10' ' ' ILE . . . . . 0.483 HG23 ' C1 ' ' I' ' 22' ' ' IPH . 4.4 mp 62.66 132.75 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 CA-C-O 121.726 0.774 . . . . 37.270000000000003 110.288 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 11' ' ' CYS . . . . . 0.401 ' N ' ' O1 ' ' I' ' 22' ' ' IPH . 55.8 m -85.12 172.77 10.97 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 108.878 -0.786 . . . . 16.010000000000002 108.878 179.464 -75.379 131.902 -90.646 104.292 2.022 104.802 -41.903 -54.94 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 47.3 m -90.3 160.92 15.89 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.255 -0.903 . . . . 40.0 109.159 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 8.0 tt -54.9 -42.31 71.99 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.356 -0.84 . . . . 40.0 109.758 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -69.29 -35.07 75.64 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.135 -0.978 . . . . 40.0 109.954 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -64.28 -34.24 77.66 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.238 -0.914 . . . . 40.0 109.77 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 91.6 mt -68.83 -34.7 75.94 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.277 -0.89 . . . . 19.920000000000002 109.812 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -57.4 -35.05 69.53 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.223 -0.923 . . . . 40.0 110.089 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -54.35 -31.97 55.74 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.162 -0.961 . . . . 40.0 109.744 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -89.59 -12.87 38.53 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.192 -0.943 . . . . 40.0 110.351 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 t -55.86 155.89 5.66 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.789 -1.194 . . . . 40.0 109.67 -179.89 -157.154 78.695 171.33 104.068 2.017 103.597 -93.833 -70.995 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 . . . . . 0 C--N 1.302 -1.48 0 CA-C-O 118.032 -0.985 . . . . 40.0 109.481 -179.813 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 10.9 p90 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.526 -0.546 . . . . 40.0 109.526 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' J' J ' 2' ' ' VAL . . . . . 0.603 HG23 ' O ' ' J' ' 2' ' ' VAL . 24.2 m -48.43 101.71 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.173 0 O-C-N 120.997 -1.064 . . . . 40.0 110.683 -179.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 3' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' J' ' 5' ' ' HIS . 1.3 m-80 -108.37 -169.32 1.49 Allowed 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.544 -0.722 . . . . 40.0 109.386 -179.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 4' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 59.95 -84.95 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.354 -0.841 . . . . 40.0 109.789 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 5' ' ' HIS . . . . . 0.411 ' N ' ' O ' ' J' ' 3' ' ' ASN . 29.3 t60 -55.03 -21.29 11.74 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.052 -1.03 . . . . 40.0 110.294 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 6' ' ' LEU . . . . . 0.6 HD22 ' CG2' ' J' ' 2' ' ' VAL . 1.0 OUTLIER -113.71 -25.33 8.72 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.252 -0.905 . . . . 40.0 109.436 179.769 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' J' J ' 7' ' ' CYS . . . . . . . . . . . . . 37.4 t -79.41 -48.11 14.56 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.489 -0.757 . . . . 33.609999999999999 110.338 -179.316 -171.962 175.57 113.899 101.269 2.019 105.171 96.825 -169.53 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 8' ' ' GLY . . . . . 0.405 ' HA3' ' OH ' ' J' ' 26' ' ' TYR . . . -52.34 -38.82 50.67 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 110.958 -0.857 . . . . 18.57 110.958 -178.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 9' ' ' SER . . . . . 0.417 ' CB ' ' OH ' ' L' ' 16' ' ' TYR . 1.0 OUTLIER -51.15 -27.66 9.17 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.076 -1.249 . . . . 40.0 110.819 -178.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -102.14 -18.45 15.55 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.23 -0.919 . . . . 40.0 110.683 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 11' ' ' LEU . . . . . 0.551 HD23 ' H3 ' ' I' ' 22' ' ' IPH . 49.5 mt -69.23 -37.5 78.05 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 106.849 -1.537 . . . . 10.779999999999999 106.849 177.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . 0.694 HG21 HG21 ' L' ' 12' ' ' VAL . 34.1 m -66.07 -34.47 70.44 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 O-C-N 121.86 -0.525 . . . . 32.43 109.758 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 13' ' ' GLU . . . . . 0.41 ' HG2' ' CB ' ' L' ' 9' ' ' SER . 26.4 mt-10 -57.14 -42.63 81.35 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.054 -1.029 . . . . 40.0 109.204 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 14' ' ' ALA . . . . . 0.481 ' O ' HG23 ' J' ' 18' ' ' VAL . . . -78.47 -29.35 46.76 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.177 -0.952 . . . . 12.9 109.367 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 15' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' J' ' 12' ' ' VAL . 14.1 mt -58.12 -65.14 0.69 Allowed 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.336 -0.853 . . . . 15.6 110.247 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 16' ' ' TYR . . . . . 0.494 ' HB3' ' CE1' ' J' ' 24' ' ' PHE . 0.1 OUTLIER -68.64 -11.4 60.06 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 119.014 -1.074 . . . . 40.0 110.717 -178.489 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.766 HD11 ' H5 ' ' C' ' 22' ' ' IPH . 1.5 tp -74.39 -40.04 62.31 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 106.695 -1.594 . . . . 40.0 106.695 176.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . 0.481 HG23 ' O ' ' J' ' 14' ' ' ALA . 78.6 t -73.45 -34.73 43.68 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 N-CA-C 108.643 -0.873 . . . . 15.199999999999999 108.643 178.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 19' ' ' CYS . . . . . 0.404 ' HB2' ' HA ' ' J' ' 16' ' ' TYR . 78.6 m -76.42 -28.29 56.59 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.496 -0.752 . . . . 40.0 109.303 179.63 -70.995 -93.833 171.33 103.597 2.017 104.068 78.695 -157.154 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.51 -107.84 2.4 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.689 -1.364 . . . . 40.0 109.689 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -87.98 -22.33 24.34 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.175 -1.191 . . . . 40.0 109.739 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 22' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -61.5 173.17 0.99 Allowed 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.091 -1.005 . . . . 40.0 109.903 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 23' ' ' GLY . . . . . 0.442 ' HA3' HG22 ' L' ' 27' ' ' THR . . . -118.34 -174.97 16.49 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.41 -1.476 . . . . 28.469999999999999 109.41 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 24' ' ' PHE . . . . . 0.494 ' CE1' ' HB3' ' J' ' 16' ' ' TYR . 12.5 p90 -160.09 159.67 32.15 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.328 -1.101 . . . . 40.0 109.813 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -105.51 123.72 48.36 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.499 -0.926 . . . . 40.0 108.499 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 26' ' ' TYR . . . . . 0.405 ' OH ' ' HA3' ' J' ' 8' ' ' GLY . 59.7 t80 -112.59 115.62 28.89 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.249 -0.907 . . . . 40.0 110.039 -179.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 27' ' ' THR . . . . . 0.435 ' HA ' ' HA3' ' L' ' 23' ' ' GLY . 2.5 p -124.13 97.06 41.13 Favored Pre-proline 0 N--CA 1.488 1.449 0 O-C-N 121.315 -0.865 . . . . 40.0 109.118 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 28' ' ' PRO . . . . . 0.532 ' HA ' HG21 ' I' ' 3' ' ' VAL . 36.5 Cg_endo -79.49 60.43 7.81 Favored 'Trans proline' 0 C--O 1.216 -0.607 0 C-N-CA 121.382 1.388 . . . . 40.0 109.848 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -153.42 106.56 2.96 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.342 -0.849 . . . . 40.0 109.283 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 118.027 -0.987 . . . . 40.0 109.321 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.381 0 N-CA-C 109.483 -1.447 . . . . 40.0 109.483 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' K' K ' 2' ' ' ILE . . . . . 0.543 HG23 ' N ' ' K' ' 3' ' ' VAL . 12.2 tt -129.2 -42.14 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.135 -1.215 . . . . 34.810000000000002 109.247 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 3' ' ' VAL . . . . . 0.548 HG21 ' HA ' ' L' ' 28' ' ' PRO . 24.3 t -64.65 -59.22 4.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 O-C-N 121.412 -0.805 . . . . 40.0 109.543 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -62.64 -17.24 60.0 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.547 -0.721 . . . . 40.0 110.356 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -90.05 -39.21 13.07 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.817 -1.177 . . . . 35.409999999999997 110.714 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 59.1 m -98.89 -16.88 18.65 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.065 -1.022 . . . . 17.699999999999999 111.276 -178.329 -55.098 -41.853 -90.603 104.77 2.024 104.278 132.011 -75.426 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 7' ' ' CYS . . . . . 0.589 ' C ' HG13 ' H' ' 2' ' ' VAL . 25.4 t -96.13 23.5 6.47 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 119.163 -1.015 . . . . 37.899999999999999 109.73 179.342 -169.516 96.885 113.868 105.23 2.018 101.494 175.45 -172.042 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 8' ' ' THR . . . . . 0.417 ' C ' HG12 ' H' ' 2' ' ' VAL . 4.5 p -113.67 -43.75 3.27 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.889 -1.132 . . . . 40.0 108.021 178.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 9' ' ' SER . . . . . 0.462 ' C ' HD12 ' K' ' 10' ' ' ILE . 1.4 m -151.75 27.62 0.63 Allowed 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.91 -0.774 . . . . 40.0 108.91 179.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 10' ' ' ILE . . . . . 0.485 HG23 ' C1 ' ' K' ' 22' ' ' IPH . 4.5 mp 62.86 132.56 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 CA-C-O 121.688 0.756 . . . . 37.270000000000003 110.209 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 55.7 m -84.89 173.04 10.91 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.77 -0.826 . . . . 16.010000000000002 108.77 179.474 -75.426 132.011 -90.603 104.278 2.024 104.77 -41.853 -55.098 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 44.6 m -90.61 160.95 15.64 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.33 -0.856 . . . . 40.0 109.134 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 8.0 tt -54.71 -42.66 71.75 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.423 -0.798 . . . . 40.0 109.869 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -68.9 -35.08 76.42 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.003 -1.061 . . . . 40.0 109.99 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -64.45 -34.13 77.47 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.102 -0.999 . . . . 40.0 109.844 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 93.4 mt -69.14 -34.36 74.9 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.251 -0.906 . . . . 20.379999999999999 109.661 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -57.85 -35.26 70.68 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.209 -0.932 . . . . 40.0 110.011 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -54.02 -32.11 53.29 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.161 -0.962 . . . . 40.0 109.948 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -89.57 -12.99 38.27 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.166 -0.959 . . . . 40.0 110.334 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 4.7 t -55.76 155.84 5.54 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.766 -1.209 . . . . 40.0 109.685 -179.97 -157.224 78.717 171.149 104.077 2.017 103.641 -93.954 -71.069 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 . . . . . 0 C--N 1.303 -1.454 0 CA-C-O 117.985 -1.007 . . . . 40.0 109.489 -179.832 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 11.3 p90 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.527 -0.546 . . . . 40.0 109.527 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' L' L ' 2' ' ' VAL . . . . . 0.608 HG23 ' O ' ' L' ' 2' ' ' VAL . 22.1 m -48.4 101.79 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 O-C-N 121.018 -1.051 . . . . 40.0 110.755 -179.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 3' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' L' ' 5' ' ' HIS . 1.3 m-80 -108.42 -169.22 1.47 Allowed 'General case' 0 C--N 1.299 -1.598 0 C-N-CA 119.866 -0.733 . . . . 40.0 109.179 -179.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 4' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 59.85 -84.87 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.458 -0.776 . . . . 40.0 109.758 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 5' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' L' ' 3' ' ' ASN . 29.4 t60 -55.04 -21.47 12.41 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.999 -1.063 . . . . 40.0 110.245 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 6' ' ' LEU . . . . . 0.592 HD22 ' CG2' ' L' ' 2' ' ' VAL . 1.0 OUTLIER -113.6 -25.37 8.75 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.274 -0.891 . . . . 40.0 109.423 179.87 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' L' L ' 7' ' ' CYS . . . . . . . . . . . . . 37.7 t -79.34 -47.85 15.08 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.412 -0.805 . . . . 33.609999999999999 110.306 -179.266 -172.042 175.45 113.868 101.494 2.018 105.23 96.885 -169.516 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.83 -38.58 54.4 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 111.012 -0.835 . . . . 18.57 111.012 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 9' ' ' SER . . . . . 0.418 ' CB ' ' OH ' ' J' ' 16' ' ' TYR . 1.0 OUTLIER -51.15 -27.5 8.77 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.188 -1.183 . . . . 40.0 110.831 -178.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 37.0 m-70 -102.43 -18.37 15.39 Favored 'General case' 0 C--N 1.303 -1.426 0 C-N-CA 119.395 -0.922 . . . . 40.0 110.671 -178.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 11' ' ' LEU . . . . . 0.548 HD23 ' H3 ' ' K' ' 22' ' ' IPH . 49.8 mt -69.12 -37.59 78.42 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 106.906 -1.516 . . . . 10.779999999999999 106.906 177.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . 0.694 HG21 HG21 ' J' ' 12' ' ' VAL . 34.0 m -65.79 -34.51 70.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 CA-C-O 121.185 0.517 . . . . 32.43 109.812 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 13' ' ' GLU . . . . . 0.408 ' HG2' ' CB ' ' J' ' 9' ' ' SER . 26.1 mt-10 -57.16 -42.76 81.67 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.109 -0.994 . . . . 40.0 109.236 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 14' ' ' ALA . . . . . 0.48 ' O ' HG23 ' L' ' 18' ' ' VAL . . . -78.56 -29.36 46.26 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.295 -0.878 . . . . 12.9 109.245 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 15' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' L' ' 15' ' ' LEU . 14.1 mt -58.03 -65.31 0.66 Allowed 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.381 -0.824 . . . . 15.6 110.233 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 16' ' ' TYR . . . . . 0.498 ' HB3' ' CE1' ' L' ' 24' ' ' PHE . 0.1 OUTLIER -68.48 -11.27 59.56 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 119.039 -1.065 . . . . 40.0 110.702 -178.608 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . 0.748 HD11 ' H5 ' ' E' ' 22' ' ' IPH . 1.5 tp -74.28 -40.45 62.29 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 106.66 -1.608 . . . . 40.0 106.66 176.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . 0.48 HG23 ' O ' ' L' ' 14' ' ' ALA . 69.0 t -73.11 -34.61 45.62 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 N-CA-C 108.731 -0.841 . . . . 15.199999999999999 108.731 178.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 19' ' ' CYS . . . . . . . . . . . . . 77.3 m -76.5 -28.1 56.3 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.531 -0.73 . . . . 40.0 109.116 179.798 -71.069 -93.954 171.149 103.641 2.017 104.077 78.717 -157.224 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.24 -107.64 2.35 Favored Glycine 0 N--CA 1.488 2.107 0 N-CA-C 109.653 -1.379 . . . . 40.0 109.653 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -88.12 -22.14 24.27 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.23 -1.159 . . . . 40.0 109.712 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 22' ' ' ARG . . . . . . . . . . . . . 19.3 mtm180 -61.75 172.85 1.15 Allowed 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.113 -0.992 . . . . 40.0 109.861 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 23' ' ' GLY . . . . . 0.435 ' HA3' ' HA ' ' J' ' 27' ' ' THR . . . -117.91 -175.13 16.81 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.409 -1.477 . . . . 28.469999999999999 109.409 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 24' ' ' PHE . . . . . 0.498 ' CE1' ' HB3' ' L' ' 16' ' ' TYR . 12.2 p90 -159.89 159.65 32.67 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.211 -1.17 . . . . 40.0 109.831 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -105.57 123.76 48.44 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 108.527 -0.916 . . . . 40.0 108.527 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -112.76 116.23 29.77 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.179 -0.951 . . . . 40.0 109.828 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 27' ' ' THR . . . . . 0.442 HG22 ' HA3' ' J' ' 23' ' ' GLY . 2.4 p -124.45 97.01 40.36 Favored Pre-proline 0 N--CA 1.489 1.499 0 O-C-N 121.303 -0.873 . . . . 40.0 109.16 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 28' ' ' PRO . . . . . 0.548 ' HA ' HG21 ' K' ' 3' ' ' VAL . 36.6 Cg_endo -79.72 60.27 7.75 Favored 'Trans proline' 0 C--O 1.216 -0.624 0 C-N-CA 121.491 1.461 . . . . 40.0 109.83 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -153.32 106.28 2.95 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.396 -0.815 . . . . 40.0 109.267 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 117.997 -1.001 . . . . 40.0 109.305 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' IPH . . . . . 0.73 ' H5 ' HD11 ' H' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' IPH . . . . . 0.766 ' H5 ' HD11 ' J' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 22' ' ' IPH . . . . . 0.748 ' H5 ' HD11 ' L' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 22' ' ' IPH . . . . . 0.749 ' H5 ' HD11 ' B' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 22' ' ' IPH . . . . . 0.759 ' H5 ' HD11 ' D' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 22' ' ' IPH . . . . . 0.756 ' H5 ' HD11 ' F' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_