data_1iqs_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 1iqs _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.454 ' O ' ' CD1' ' A' ' 2' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.786 0.326 . . . . 0.0 111.164 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.454 ' CD1' ' O ' ' A' ' 1' ' ' LEU . 70.9 m-85 -158.29 -170.85 3.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.52 ' N ' ' CD1' ' A' ' 3' ' ' ILE . 1.3 mp -84.27 89.77 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.081 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.59 93.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -91.12 114.44 26.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.432 ' O ' HG23 ' A' ' 43' ' ' ILE . 0.6 OUTLIER -103.11 141.27 36.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.509 ' CG ' HG23 ' A' ' 43' ' ' ILE . 13.6 mtpt -139.48 97.2 3.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -95.5 126.49 8.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.514 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.5 mt -87.35 126.7 41.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.795 0.331 . . . . 0.0 111.093 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.515 ' CB ' ' HB2' ' A' ' 15' ' ' LEU . 15.7 m-85 -116.18 102.92 10.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.507 ' N ' ' HB3' ' A' ' 15' ' ' LEU . 1.8 p -113.64 128.06 56.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.148 0.499 . . . . 0.0 111.252 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.565 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER 48.89 -149.14 0.21 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.472 179.838 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.489 ' NZ ' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -79.7 -22.17 43.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.87 -179.908 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.439 ' C ' ' CD ' ' A' ' 16' ' ' PRO . 4.3 t0 -79.72 5.84 12.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.015 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.584 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 2.3 pp -52.42 -31.96 8.08 Favored Pre-proline 0 CA--C 1.534 0.337 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 15' ' ' LEU . 15.7 Cg_exo -69.04 56.41 1.07 Allowed 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.03 1.82 . . . . 0.0 112.295 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 0.6 OUTLIER -41.11 -28.17 0.08 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.911 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.525 ' O ' ' CD2' ' A' ' 19' ' ' PHE . 0.5 OUTLIER -73.93 -62.43 1.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.266 0.555 . . . . 0.0 110.954 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.525 ' CD2' ' O ' ' A' ' 18' ' ' GLU . 1.9 m-85 -170.31 -90.33 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -86.46 146.92 43.02 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.525 ' HB2' ' CB ' ' A' ' 24' ' ' ASP . 59.3 Cg_endo -72.29 135.23 24.32 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.733 2.289 . . . . 0.0 112.432 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -100.0 -25.08 14.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.504 ' O ' ' N ' ' A' ' 26' ' ' LYS . 15.0 m -98.33 -22.92 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.077 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.525 ' CB ' ' HB2' ' A' ' 21' ' ' PRO . 0.6 OUTLIER -36.75 -31.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.772 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.468 ' N ' ' O ' ' A' ' 23' ' ' VAL . 7.7 p90 -59.25 -41.83 89.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.799 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 23' ' ' VAL . 19.9 tttt -63.63 -29.74 70.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.74 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.49 ' O ' ' CB ' ' A' ' 32' ' ' LYS . . . -78.18 -20.79 51.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.939 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -122.29 11.97 9.1 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.444 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 25' ' ' TYR . 0.6 OUTLIER -68.61 -6.2 24.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.735 0.303 . . . . 0.0 111.205 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.472 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 25.6 tt0 -175.51 46.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.931 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.516 ' O ' ' CG ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER 54.45 40.35 31.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.234 0.54 . . . . 0.0 110.815 -179.863 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -51.44 -73.49 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.894 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 6.4 mmmt 159.72 147.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.5 mp -118.09 70.11 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.489 ' O ' ' NZ ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -95.66 160.44 14.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.456 ' O ' HD13 ' A' ' 12' ' ' LEU . 5.1 m-20 -86.87 15.22 6.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.31 -26.08 11.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -37.15 132.2 0.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -140.98 122.5 15.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.506 HG22 HD11 ' A' ' 40' ' ' ILE . 3.2 mt -132.75 157.48 43.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.077 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.46 ' N ' HG21 ' A' ' 40' ' ' ILE . . . -147.76 117.51 7.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.066 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.494 ' CD1' HG22 ' A' ' 53' ' ' VAL . 10.3 mt -111.18 136.79 46.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.509 HG23 ' CG ' ' A' ' 7' ' ' LYS . 1.9 mt -135.32 126.96 46.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.146 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.4 ' CB ' ' HB3' ' A' ' 51' ' ' ASN . 10.3 p -109.82 163.13 13.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -159.9 69.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.165 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 45' ' ' ILE . 0.1 OUTLIER 37.38 34.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -73.87 60.5 2.14 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.457 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.414 ' O ' ' HG3' ' A' ' 49' ' ' GLN . 0.2 OUTLIER 75.96 -56.01 0.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.819 0.342 . . . . 0.0 110.953 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 48' ' ' THR . 2.3 mt-30 172.25 56.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.5 -160.08 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.444 ' OD1' HG22 ' A' ' 42' ' ' ILE . 11.8 p30 -158.04 -165.04 1.63 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -123.18 109.54 14.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.494 HG22 ' CD1' ' A' ' 42' ' ' ILE . 7.3 p -89.34 115.9 29.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.453 ' O ' HG23 ' A' ' 40' ' ' ILE . 11.1 mt -110.27 156.89 20.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -108.65 107.68 18.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.451 HD11 ' HB1' ' A' ' 41' ' ' ALA . 65.2 mt -76.43 88.88 3.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.67 -67.34 0.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.26 111.43 8.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.524 ' CE2' ' CD1' ' A' ' 65' ' ' ILE . 2.8 t80 -110.1 118.72 37.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -94.48 -88.67 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 168.8 59.32 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.941 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.498 ' O ' ' CG1' ' A' ' 65' ' ' ILE . 4.2 m -139.7 138.13 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -37.29 -39.06 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.424 ' HB3' HG23 ' A' ' 62' ' ' VAL . 12.4 tt0 -42.93 -47.36 5.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.926 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.524 ' CD1' ' CE2' ' A' ' 59' ' ' TYR . 5.2 pt -80.64 -35.48 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.8 ttt-85 -62.97 -44.3 96.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -63.6 -47.11 82.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' A' ' 71' ' ' GLU . 2.3 tt0 -48.13 -59.04 3.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.941 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 72' ' ' ALA . 4.4 tp -52.95 -71.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -38.16 -30.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.454 ' HA ' ' HB2' ' A' ' 75' ' ' LYS . 2.7 mt-10 -68.74 -45.12 72.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 69' ' ' LEU . . . -87.52 11.43 14.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.078 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -98.19 -55.32 1.12 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.475 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -143.34 12.92 1.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.836 0.351 . . . . 0.0 111.084 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.454 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -98.94 -154.11 0.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.427 ' C ' ' O ' ' A' ' 75' ' ' LYS . 40.7 mt -36.08 140.36 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.103 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -95.86 135.74 37.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.571 ' CD2' HD13 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -93.62 136.3 34.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.876 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.1 t -134.65 12.29 3.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.517 HG21 ' CG ' ' A' ' 82' ' ' LYS . 6.0 t -142.25 12.14 1.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 mp 37.92 30.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.517 ' CG ' HG21 ' A' ' 80' ' ' THR . 0.8 OUTLIER -60.87 -48.79 80.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.571 HD13 ' CD2' ' A' ' 78' ' ' HIS . 9.0 pt -48.05 -47.15 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.045 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.518 ' HA ' ' CB ' ' A' ' 88' ' ' LEU . 0.5 OUTLIER -60.07 -32.53 71.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.771 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.44 -21.79 55.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -97.43 -19.28 25.89 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.506 ' O ' ' ND1' ' A' ' 87' ' ' HIS . 8.6 p80 -153.67 41.37 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 0.0 110.944 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.518 ' CB ' ' HA ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.454 ' O ' ' CD1' ' A' ' 2' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.786 0.326 . . . . 0.0 111.164 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.454 ' CD1' ' O ' ' A' ' 1' ' ' LEU . 70.9 m-85 -158.29 -170.85 3.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.686 HD12 ' N ' ' A' ' 3' ' ' ILE . 1.3 mp -84.27 89.77 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.081 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.59 93.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.453 HG22 ' CG2' ' A' ' 45' ' ' ILE . 0.6 OUTLIER -91.12 114.44 26.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.54 ' O ' HG23 ' A' ' 43' ' ' ILE . 0.6 OUTLIER -103.11 141.27 36.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.464 ' CG ' HG23 ' A' ' 43' ' ' ILE . 13.6 mtpt -139.48 97.2 3.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -95.5 126.49 8.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.514 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.5 mt -87.35 126.7 41.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.795 0.331 . . . . 0.0 111.093 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.533 ' CB ' ' HB2' ' A' ' 15' ' ' LEU . 15.7 m-85 -116.18 102.92 10.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.782 ' C ' HD22 ' A' ' 12' ' ' LEU . 1.8 p -113.64 128.06 56.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.148 0.499 . . . . 0.0 111.252 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.838 HD13 ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER 48.89 -149.14 0.21 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.472 179.838 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.489 ' NZ ' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -79.7 -22.17 43.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.87 -179.908 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.448 ' C ' ' HD2' ' A' ' 16' ' ' PRO . 4.3 t0 -79.72 5.84 12.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.015 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.811 HD12 ' CD ' ' A' ' 16' ' ' PRO . 2.3 pp -52.42 -31.96 8.08 Favored Pre-proline 0 CA--C 1.534 0.337 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.811 ' CD ' HD12 ' A' ' 15' ' ' LEU . 15.7 Cg_exo -69.04 56.41 1.07 Allowed 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.03 1.82 . . . . 0.0 112.295 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 0.6 OUTLIER -41.11 -28.17 0.08 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.911 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.525 ' O ' ' CD2' ' A' ' 19' ' ' PHE . 0.5 OUTLIER -73.93 -62.43 1.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.266 0.555 . . . . 0.0 110.954 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.525 ' CD2' ' O ' ' A' ' 18' ' ' GLU . 1.9 m-85 -170.31 -90.33 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -86.46 146.92 43.02 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.547 ' HB2' ' CB ' ' A' ' 24' ' ' ASP . 59.3 Cg_endo -72.29 135.23 24.32 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.733 2.289 . . . . 0.0 112.432 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -100.0 -25.08 14.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.702 HG21 HD12 ' A' ' 40' ' ' ILE . 15.0 m -98.33 -22.92 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.077 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.547 ' CB ' ' HB2' ' A' ' 21' ' ' PRO . 0.6 OUTLIER -36.75 -31.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.772 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.468 ' N ' ' O ' ' A' ' 23' ' ' VAL . 7.7 p90 -59.25 -41.83 89.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.799 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 23' ' ' VAL . 19.9 tttt -63.63 -29.74 70.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.74 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.49 ' O ' ' CB ' ' A' ' 32' ' ' LYS . . . -78.18 -20.79 51.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.939 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -122.29 11.97 9.1 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.444 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.579 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.6 OUTLIER -68.61 -6.2 24.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.735 0.303 . . . . 0.0 111.205 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 25.6 tt0 -175.51 46.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.931 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.516 ' O ' ' CG ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER 54.45 40.35 31.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.234 0.54 . . . . 0.0 110.815 -179.863 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -51.44 -73.49 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.894 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.55 ' C ' HD12 ' A' ' 34' ' ' LEU . 6.4 mmmt 159.72 147.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.55 HD12 ' C ' ' A' ' 33' ' ' LYS . 7.5 mp -118.09 70.11 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.489 ' O ' ' NZ ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -95.66 160.44 14.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.54 ' O ' HD12 ' A' ' 12' ' ' LEU . 5.1 m-20 -86.87 15.22 6.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.31 -26.08 11.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -37.15 132.2 0.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -140.98 122.5 15.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.702 HD12 HG21 ' A' ' 23' ' ' VAL . 3.2 mt -132.75 157.48 43.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.077 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.693 ' HB2' HD11 ' A' ' 56' ' ' LEU . . . -147.76 117.51 7.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.066 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.659 HG12 HG23 ' A' ' 53' ' ' VAL . 10.3 mt -111.18 136.79 46.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.54 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.9 mt -135.32 126.96 46.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.146 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.442 ' O ' HG23 ' A' ' 45' ' ' ILE . 10.3 p -109.82 163.13 13.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.453 ' CG2' HG22 ' A' ' 5' ' ' THR . 0.1 OUTLIER -159.9 69.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.165 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 45' ' ' ILE . 0.1 OUTLIER 37.38 34.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -73.87 60.5 2.14 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.457 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.4 ' O ' ' HG3' ' A' ' 49' ' ' GLN . 0.2 OUTLIER 75.96 -56.01 0.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.819 0.342 . . . . 0.0 110.953 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 48' ' ' THR . 3.9 mt-30 172.25 56.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.5 -160.08 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.542 ' OD1' HG23 ' A' ' 42' ' ' ILE . 11.8 p30 -158.04 -165.04 1.63 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -123.18 109.54 14.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.659 HG23 HG12 ' A' ' 42' ' ' ILE . 7.3 p -89.34 115.9 29.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.503 ' O ' HG23 ' A' ' 40' ' ' ILE . 11.1 mt -110.27 156.89 20.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -108.65 107.68 18.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.693 HD11 ' HB2' ' A' ' 41' ' ' ALA . 65.2 mt -76.43 88.88 3.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.67 -67.34 0.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.26 111.43 8.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 1.029 ' CE2' HD12 ' A' ' 65' ' ' ILE . 2.8 t80 -110.1 118.72 37.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -94.48 -88.67 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 168.8 59.32 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.941 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.498 ' O ' ' CG1' ' A' ' 65' ' ' ILE . 4.2 m -139.7 138.13 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -37.29 -39.06 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.442 ' HB3' HG23 ' A' ' 62' ' ' VAL . 12.4 tt0 -42.93 -47.36 5.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.926 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 1.029 HD12 ' CE2' ' A' ' 59' ' ' TYR . 5.2 pt -80.64 -35.48 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.8 ttt-85 -62.97 -44.3 96.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -63.6 -47.11 82.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.455 ' O ' ' HB2' ' A' ' 71' ' ' GLU . 2.3 tt0 -48.13 -59.04 3.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.941 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 72' ' ' ALA . 4.4 tp -52.95 -71.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -38.16 -30.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.483 ' HA ' ' HB2' ' A' ' 75' ' ' LYS . 2.7 mt-10 -68.74 -45.12 72.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 69' ' ' LEU . . . -87.52 11.43 14.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.078 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -98.19 -55.32 1.12 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.475 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -143.34 12.92 1.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.836 0.351 . . . . 0.0 111.084 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.483 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -98.94 -154.11 0.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.427 ' C ' ' O ' ' A' ' 75' ' ' LYS . 40.7 mt -36.08 140.36 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.103 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -95.86 135.74 37.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.639 ' CD2' HD13 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -93.62 136.3 34.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.876 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.1 t -134.65 12.29 3.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 82' ' ' LYS . 6.0 t -142.25 12.14 1.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 mp 37.92 30.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 80' ' ' THR . 0.8 OUTLIER -60.87 -48.79 80.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.639 HD13 ' CD2' ' A' ' 78' ' ' HIS . 9.0 pt -48.05 -47.15 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.045 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.531 ' CA ' ' HB3' ' A' ' 88' ' ' LEU . 0.5 OUTLIER -60.07 -32.53 71.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.771 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.44 -21.79 55.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -97.43 -19.28 25.89 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.506 ' O ' ' ND1' ' A' ' 87' ' ' HIS . 8.6 p80 -153.67 41.37 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 0.0 110.944 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.531 ' HB3' ' CA ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.454 ' O ' ' CD1' ' A' ' 2' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.786 0.326 . . . . 0.0 111.164 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.454 ' CD1' ' O ' ' A' ' 1' ' ' LEU . 70.9 m-85 -158.29 -170.85 3.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.686 ' N ' HD12 ' A' ' 3' ' ' ILE . 1.3 mp -84.27 89.77 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.081 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.59 93.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.453 HG22 ' CG2' ' A' ' 45' ' ' ILE . 0.6 OUTLIER -91.12 114.44 26.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.54 ' O ' HG23 ' A' ' 43' ' ' ILE . 0.6 OUTLIER -103.11 141.27 36.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.464 ' CG ' HG23 ' A' ' 43' ' ' ILE . 13.6 mtpt -139.48 97.2 3.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -95.5 126.49 8.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.514 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.5 mt -87.35 126.7 41.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.795 0.331 . . . . 0.0 111.093 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.533 ' CB ' ' HB2' ' A' ' 15' ' ' LEU . 15.7 m-85 -116.18 102.92 10.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.782 ' C ' HD22 ' A' ' 12' ' ' LEU . 1.8 p -113.64 128.06 56.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.148 0.499 . . . . 0.0 111.252 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.838 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER 48.89 -149.14 0.21 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.472 179.838 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.489 ' NZ ' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -79.7 -22.17 43.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.87 -179.908 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.448 ' C ' ' HD2' ' A' ' 16' ' ' PRO . 4.3 t0 -79.72 5.84 12.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.015 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.811 HD12 ' CD ' ' A' ' 16' ' ' PRO . 2.3 pp -52.42 -31.96 8.08 Favored Pre-proline 0 CA--C 1.534 0.337 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.811 ' CD ' HD12 ' A' ' 15' ' ' LEU . 15.7 Cg_exo -69.04 56.41 1.07 Allowed 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.03 1.82 . . . . 0.0 112.295 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 0.6 OUTLIER -41.11 -28.17 0.08 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.911 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.525 ' O ' ' CD2' ' A' ' 19' ' ' PHE . 0.5 OUTLIER -73.93 -62.43 1.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.266 0.555 . . . . 0.0 110.954 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.525 ' CD2' ' O ' ' A' ' 18' ' ' GLU . 1.9 m-85 -170.31 -90.33 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -86.46 146.92 43.02 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.547 ' HB2' ' CB ' ' A' ' 24' ' ' ASP . 59.3 Cg_endo -72.29 135.23 24.32 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.733 2.289 . . . . 0.0 112.432 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -100.0 -25.08 14.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.702 HG21 HD12 ' A' ' 40' ' ' ILE . 15.0 m -98.33 -22.92 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.077 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.547 ' CB ' ' HB2' ' A' ' 21' ' ' PRO . 0.6 OUTLIER -36.75 -31.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.772 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.468 ' N ' ' O ' ' A' ' 23' ' ' VAL . 7.7 p90 -59.25 -41.83 89.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.799 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 23' ' ' VAL . 19.9 tttt -63.63 -29.74 70.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.74 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.49 ' O ' ' CB ' ' A' ' 32' ' ' LYS . . . -78.18 -20.79 51.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.939 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -122.29 11.97 9.1 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.444 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.579 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.6 OUTLIER -68.61 -6.2 24.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.735 0.303 . . . . 0.0 111.205 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 25.6 tt0 -175.51 46.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.931 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.516 ' CG ' ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER 54.45 40.35 31.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.234 0.54 . . . . 0.0 110.815 -179.863 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -51.44 -73.49 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.894 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.55 ' C ' HD12 ' A' ' 34' ' ' LEU . 6.4 mmmt 159.72 147.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.55 HD12 ' C ' ' A' ' 33' ' ' LYS . 7.5 mp -118.09 70.11 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.489 ' O ' ' NZ ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -95.66 160.44 14.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.54 ' O ' HD12 ' A' ' 12' ' ' LEU . 5.1 m-20 -86.87 15.22 6.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.31 -26.08 11.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -37.15 132.2 0.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -140.98 122.5 15.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.702 HD12 HG21 ' A' ' 23' ' ' VAL . 3.2 mt -132.75 157.48 43.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.077 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.693 ' HB2' HD11 ' A' ' 56' ' ' LEU . . . -147.76 117.51 7.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.066 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.659 HG12 HG23 ' A' ' 53' ' ' VAL . 10.3 mt -111.18 136.79 46.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.54 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.9 mt -135.32 126.96 46.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.146 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.442 ' O ' HG23 ' A' ' 45' ' ' ILE . 10.3 p -109.82 163.13 13.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.453 ' CG2' HG22 ' A' ' 5' ' ' THR . 0.1 OUTLIER -159.9 69.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.165 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 45' ' ' ILE . 0.1 OUTLIER 37.38 34.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -73.87 60.5 2.14 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.457 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.4 ' O ' ' HG3' ' A' ' 49' ' ' GLN . 0.2 OUTLIER 75.96 -56.01 0.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.819 0.342 . . . . 0.0 110.953 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 48' ' ' THR . 2.3 mt-30 172.25 56.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.5 -160.08 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.542 ' OD1' HG23 ' A' ' 42' ' ' ILE . 11.8 p30 -158.04 -165.04 1.63 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -123.18 109.54 14.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.659 HG23 HG12 ' A' ' 42' ' ' ILE . 7.3 p -89.34 115.9 29.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.503 ' O ' HG23 ' A' ' 40' ' ' ILE . 11.1 mt -110.27 156.89 20.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -108.65 107.68 18.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.693 HD11 ' HB2' ' A' ' 41' ' ' ALA . 65.2 mt -76.43 88.88 3.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.67 -67.34 0.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.26 111.43 8.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 1.029 ' CE2' HD12 ' A' ' 65' ' ' ILE . 2.8 t80 -110.1 118.72 37.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -94.48 -88.67 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 168.8 59.32 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.941 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.498 ' O ' ' CG1' ' A' ' 65' ' ' ILE . 4.2 m -139.7 138.13 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -37.29 -39.06 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.442 ' HB3' HG23 ' A' ' 62' ' ' VAL . 12.4 tt0 -42.93 -47.36 5.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.926 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 1.029 HD12 ' CE2' ' A' ' 59' ' ' TYR . 5.2 pt -80.64 -35.48 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.8 ttt-85 -62.97 -44.3 96.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -63.6 -47.11 82.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.455 ' O ' ' HB2' ' A' ' 71' ' ' GLU . 2.3 tt0 -48.13 -59.04 3.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.941 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 72' ' ' ALA . 4.4 tp -52.95 -71.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -38.16 -30.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.483 ' HA ' ' HB2' ' A' ' 75' ' ' LYS . 2.7 mt-10 -68.74 -45.12 72.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 69' ' ' LEU . . . -87.52 11.43 14.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.078 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -98.19 -55.32 1.12 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.475 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -143.34 12.92 1.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.836 0.351 . . . . 0.0 111.084 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.483 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -98.94 -154.11 0.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.427 ' C ' ' O ' ' A' ' 75' ' ' LYS . 40.7 mt -36.08 140.36 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.103 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -95.86 135.74 37.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.639 ' CD2' HD13 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -93.62 136.3 34.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.876 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.1 t -134.65 12.29 3.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 82' ' ' LYS . 6.0 t -142.25 12.14 1.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 mp 37.92 30.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 80' ' ' THR . 0.8 OUTLIER -60.87 -48.79 80.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.639 HD13 ' CD2' ' A' ' 78' ' ' HIS . 9.0 pt -48.05 -47.15 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.045 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.531 ' CA ' ' HB3' ' A' ' 88' ' ' LEU . 0.5 OUTLIER -60.07 -32.53 71.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.771 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.44 -21.79 55.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -97.43 -19.28 25.89 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.506 ' O ' ' ND1' ' A' ' 87' ' ' HIS . 8.6 p80 -153.67 41.37 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 0.0 110.944 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.531 ' HB3' ' CA ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 stop_ save_