data_3orc_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 3orc _Structure_validation_residue.Date_analyzed 2016-10-12 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 ecloud orig full ' R' R ' 1' ' ' ' DT' . . . . . 0.722 ' N3 ' ' N1 ' ' S' ' 8' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.405 -2.014 0 C5'-C4'-O4' 111.585 1.366 . . . . 90.51 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 2' ' ' ' DA' . . . . . 0.756 ' N1 ' ' N3 ' ' S' ' 7' ' ' ' DT' . . . . . . . . 1 O3'--C3' 1.515 6.472 0 O5'-C5'-C4' 114.52 3.086 . . . . 99.77 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' R' R ' 3' ' ' ' DT' . . . . . 0.813 ' N3 ' ' N1 ' ' S' ' 6' ' ' ' DA' . . . . . . . . 0 P--O3' 1.646 3.21 2 P-O3'-C3' 132.237 10.448 . . . . 91.04 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' R' R ' 4' ' ' ' DC' . . . . . 0.522 ' N4 ' ' O6 ' ' S' ' 5' ' ' ' DG' . . . . . . . . 1 O3'--C3' 1.516 6.518 3 O4'-C1'-N19 102.299 -6.877 . . . . 69.99 . . . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' R' R ' 5' ' ' ' DG' . . . . . 0.516 ' O6 ' ' N4 ' ' S' ' 4' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.544 4.064 2 O5'-C5'-C4' 119.269 6.478 . . . . 66.9 . . . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' R' R ' 6' ' ' ' DA' . . . . . 0.83 ' N1 ' ' N3 ' ' S' ' 3' ' ' ' DT' . . . . . . . . 0 P--O5' 1.568 -2.545 1 P-O5'-C5' 110.774 -6.328 . . . . 63.03 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' R' R ' 7' ' ' ' DT' . . . . . 0.77 ' N3 ' ' N1 ' ' S' ' 2' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.465 2.585 1 O4'-C4'-C3' 100.818 -4.782 . . . . 82.06 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' R' R ' 8' ' ' ' DA' . . . . . 0.709 ' N1 ' ' N3 ' ' S' ' 1' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.538 2.007 1 P-O3'-C3' 126.491 5.659 . . . . 83.96 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' S' S ' 1' ' ' ' DT' . . . . . 0.709 ' N3 ' ' N1 ' ' R' ' 8' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.405 -2.014 0 C5'-C4'-O4' 111.585 1.366 . . . . 90.51 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' S' S ' 2' ' ' ' DA' . . . . . 0.77 ' N1 ' ' N3 ' ' R' ' 7' ' ' ' DT' . . . . . . . . 1 O3'--C3' 1.515 6.472 0 O5'-C5'-C4' 114.52 3.086 . . . . 99.77 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' S' S ' 3' ' ' ' DT' . . . . . 0.83 ' N3 ' ' N1 ' ' R' ' 6' ' ' ' DA' . . . . . . . . 0 P--O3' 1.646 3.21 2 P-O3'-C3' 132.237 10.448 . . . . 91.04 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' S' S ' 4' ' ' ' DC' . . . . . 0.516 ' N4 ' ' O6 ' ' R' ' 5' ' ' ' DG' . . . . . . . . 1 O3'--C3' 1.516 6.518 3 O4'-C1'-N19 102.299 -6.877 . . . . 69.99 . . . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' S' S ' 5' ' ' ' DG' . . . . . 0.522 ' O6 ' ' N4 ' ' R' ' 4' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.544 4.064 2 O5'-C5'-C4' 119.269 6.478 . . . . 66.9 . . . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' S' S ' 6' ' ' ' DA' . . . . . 0.813 ' N1 ' ' N3 ' ' R' ' 3' ' ' ' DT' . . . . . . . . 0 P--O5' 1.568 -2.545 1 P-O5'-C5' 110.774 -6.328 . . . . 63.03 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' S' S ' 7' ' ' ' DT' . . . . . 0.756 ' N3 ' ' N1 ' ' R' ' 2' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.465 2.621 1 O4'-C4'-C3' 100.818 -4.782 . . . . 82.06 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' S' S ' 8' ' ' ' DA' . . . . . 0.722 ' N1 ' ' N3 ' ' R' ' 1' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.538 2.007 1 P-O3'-C3' 126.49 5.659 . . . . 83.96 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.837 0 CA-C-O 122.616 1.198 . . . . 90.72 111.334 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . 0.36 0.0 OUTLIER -158.13 -21.79 0.08 Allowed 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 112.851 -1.977 . . . . 100.0 113.551 178.963 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.97 114.08 1.72 Allowed 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 119.126 -1.03 . . . . 100.0 112.392 177.796 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -139.86 165.85 21.44 Favored 'Isoleucine or valine' 0 C--N 1.362 1.111 0 CA-C-O 124.717 2.198 . . . . 62.63 116.137 179.944 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 0.306 0.1 OUTLIER -73.83 165.09 25.74 Favored 'General case' 0 N--CA 1.422 -1.869 0 CA-C-N 110.374 -3.103 . . . . 60.81 103.584 178.428 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.7 tp -66.28 -61.8 1.82 Allowed 'General case' 0 N--CA 1.423 -1.822 0 CA-C-N 112.924 -1.944 . . . . 37.82 110.921 178.102 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.5 tttt -41.09 -42.26 1.94 Allowed 'General case' 0 N--CA 1.425 -1.712 0 CA-C-O 125.177 2.418 . . . . 100.0 112.2 -179.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ASP . . . . . 0.453 ' CB ' ' NH1' ' A' ' 13' ' ' ARG . 1.0 OUTLIER -66.05 -60.79 2.49 Favored 'General case' 0 N--CA 1.409 -2.479 0 CA-C-N 111.121 -2.763 . . . . 81.63 109.077 -179.828 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -45.76 -31.78 2.19 Favored 'General case' 0 C--O 1.248 1.011 0 O-C-N 127.711 3.132 . . . . 50.62 110.645 179.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.68 -67.44 0.42 Allowed 'General case' 0 N--CA 1.437 -1.101 0 CA-C-N 110.958 -2.837 . . . . 53.74 106.859 178.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 40.5 mtt -42.96 -42.48 3.76 Favored 'General case' 0 N--CA 1.432 -1.349 0 O-C-N 126.992 2.683 . . . . 61.6 111.982 178.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ARG . . . . . 0.453 ' NH1' ' CB ' ' A' ' 9' ' ' ASP 0.295 0.1 OUTLIER -66.21 -76.5 0.08 Allowed 'General case' 0 C--O 1.243 0.72 0 C-N-CA 117.858 -1.537 . . . . 100.0 114.617 177.302 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -85.54 8.36 19.55 Favored 'General case' 0 C--O 1.249 1.043 0 N-CA-C 120.065 3.357 . . . . 53.11 120.065 -176.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.39 133.36 0.01 OUTLIER Glycine 0 C--O 1.251 1.182 0 O-C-N 119.325 -2.109 . . . . 39.36 118.161 178.683 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLN . . . . . 0.641 ' OE1' ' ND2' ' A' ' 31' ' ' ASN . 1.7 mt-30 -40.22 -31.34 0.13 Allowed 'General case' 0 N--CA 1.445 -0.682 0 CA-C-O 125.107 2.384 . . . . 40.68 115.129 -177.983 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' THR . . . . . 0.64 ' OG1' ' NE2' ' A' ' 27' ' ' GLN . 1.2 m -68.21 -62.71 1.28 Allowed 'General case' 0 N--CA 1.422 -1.85 0 C-N-CA 115.818 -2.353 . . . . 50.94 109.903 178.624 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 48.2 tttp -51.09 -42.71 60.8 Favored 'General case' 0 CA--C 1.497 -1.093 0 O-C-N 124.843 1.339 . . . . 98.17 112.365 -178.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 m -52.44 -68.24 0.19 Allowed 'General case' 0 N--CA 1.442 -0.862 0 O-C-N 125.902 2.001 . . . . 46.95 109.235 -179.432 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -31.72 -61.43 0.22 Allowed 'General case' 0 CA--C 1.496 -1.118 0 C-N-CA 126.489 1.916 . . . . 42.89 114.632 178.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . . . -51.4 -55.25 19.65 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 126.464 2.353 . . . . 51.17 109.953 179.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -51.5 -45.56 62.88 Favored 'General case' 0 C--N 1.315 -0.906 0 O-C-N 124.208 0.942 . . . . 66.02 112.112 179.472 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.3 mt -71.57 -33.64 69.26 Favored 'General case' 0 CA--C 1.481 -1.689 0 C-N-CA 118.194 -1.403 . . . . 38.95 110.083 -179.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.16 40.42 6.56 Favored Glycine 0 N--CA 1.438 -1.189 0 O-C-N 126.409 2.318 . . . . 38.7 110.397 -179.432 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' VAL . . . . . 0.416 ' CG2' ' N ' ' A' ' 26' ' ' TYR . 1.4 m -129.84 177.12 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.984 0 N-CA-C 106.763 -1.569 . . . . 42.1 106.763 178.741 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' TYR . . . . . 0.656 ' O ' ' N ' ' A' ' 29' ' ' ALA . 4.1 m-30 -86.15 129.48 34.83 Favored 'General case' 0 C--N 1.31 -1.13 0 C-N-CA 120.012 -0.675 . . . . 73.22 110.717 -178.525 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLN . . . . . 0.64 ' NE2' ' OG1' ' A' ' 17' ' ' THR . 0.4 OUTLIER -31.86 -46.48 0.11 Allowed 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 124.32 2.009 . . . . 94.96 113.9 178.943 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.6 -31.73 72.98 Favored 'General case' 0 N--CA 1.401 -2.879 0 CA-C-N 112.448 -2.16 . . . . 63.75 109.999 -178.324 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ALA . . . . . 0.656 ' N ' ' O ' ' A' ' 26' ' ' TYR . . . -52.3 -45.21 65.45 Favored 'General case' 0 CA--C 1.479 -1.782 0 O-C-N 127.193 2.808 . . . . 32.95 108.831 -175.641 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 33' ' ' ALA . 46.8 mt -62.43 -71.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.674 0 O-C-N 128.714 3.759 . . . . 32.91 118.459 -178.299 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ASN . . . . . 0.641 ' ND2' ' OE1' ' A' ' 16' ' ' GLN . 11.6 t-20 -49.56 -33.76 15.8 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 123.425 1.583 . . . . 72.33 110.953 -178.56 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.1 tttt -64.46 -48.62 74.59 Favored 'General case' 0 N--CA 1.428 -1.561 0 CA-C-N 113.126 -1.852 . . . . 100.0 107.89 178.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 30' ' ' ILE . . . -51.79 -55.54 19.22 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 114.255 -1.338 . . . . 44.82 110.365 178.115 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ILE . . . . . 0.484 ' O ' ' N ' ' A' ' 37' ' ' GLY . 8.9 mt -57.9 -48.02 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.613 0 CA-C-N 114.748 -1.114 . . . . 48.95 109.497 177.532 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' ASN 0.294 21.4 m80 -52.91 -24.65 9.68 Favored 'General case' 0 CA--C 1.495 -1.162 0 CA-C-O 122.859 1.314 . . . . 67.19 114.151 -179.505 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.88 -2.76 43.22 Favored 'General case' 0 N--CA 1.427 -1.577 0 CA-C-N 112.539 -2.118 . . . . 65.47 111.22 178.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 34' ' ' ILE . . . 47.7 77.01 0.12 Allowed Glycine 0 CA--C 1.534 1.268 0 CA-C-N 115.833 -0.621 . . . . 59.98 112.973 -179.069 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 -110.08 138.71 46.09 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 107.504 -1.295 . . . . 58.34 107.504 177.799 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.0 mttt -74.65 92.91 2.48 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-O 120.97 0.414 . . . . 100.0 111.654 -178.056 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ILE . . . . . 0.444 ' CG2' ' N ' ' A' ' 41' ' ' PHE . 3.4 mp -120.84 145.2 27.67 Favored 'Isoleucine or valine' 0 CA--C 1.462 -2.432 0 N-CA-C 105.453 -2.054 . . . . 35.25 105.453 -179.456 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' PHE . . . . . 0.444 ' N ' ' CG2' ' A' ' 40' ' ' ILE . 44.2 m-85 -131.78 155.38 47.85 Favored 'General case' 0 N--CA 1.408 -2.553 0 C-N-CA 117.297 -1.761 . . . . 35.0 106.686 -178.802 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.0 mp -131.29 144.8 51.55 Favored 'General case' 0 N--CA 1.411 -2.415 0 O-C-N 125.378 1.674 . . . . 48.21 108.308 -177.03 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -115.61 157.61 23.91 Favored 'General case' 0 CA--C 1.496 -1.124 0 O-C-N 125.45 1.719 . . . . 57.67 109.939 -178.739 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ILE . . . . . 0.437 ' CD1' ' N ' ' A' ' 44' ' ' ILE . 3.5 mp -123.98 95.0 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.844 0 N-CA-C 118.06 2.615 . . . . 69.87 118.06 -179.794 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ASN . . . . . 0.522 ' O ' ' N ' ' A' ' 48' ' ' GLY . 22.7 m-20 -56.09 127.6 31.36 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 108.035 -1.098 . . . . 100.0 108.035 178.302 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -32.64 -31.18 0.01 OUTLIER 'General case' 0 C--N 1.354 0.767 0 O-C-N 126.042 2.089 . . . . 86.92 113.555 -178.324 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASP . . . . . 0.607 ' OD1' ' N ' ' A' ' 47' ' ' ASP . 9.6 p-10 -81.06 28.5 0.36 Allowed 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 124.833 1.333 . . . . 92.03 109.669 177.793 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 55.78 14.58 7.67 Favored Glycine 0 N--CA 1.44 -1.096 0 CA-C-N 113.577 -1.647 . . . . 74.05 113.837 179.433 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.37 132.32 35.0 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 119.404 1.602 . . . . 67.51 112.56 -179.376 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' A' ' 51' ' ' TYR . 11.4 t -97.22 164.3 2.29 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.663 0 N-CA-C 113.189 0.811 . . . . 61.65 113.189 -178.473 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' TYR . . . . . 0.439 ' N ' ' CG1' ' A' ' 50' ' ' VAL 0.399 0.0 OUTLIER -163.6 148.62 10.91 Favored 'General case' 0 C--O 1.247 0.966 0 CA-C-N 113.643 -1.617 . . . . 95.44 110.552 175.576 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -126.53 170.7 11.75 Favored 'General case' 0 C--N 1.313 -0.99 0 C-N-CA 117.144 -1.822 . . . . 40.37 114.434 -177.72 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -169.89 128.51 0.92 Allowed 'General case' 0 N--CA 1.418 -2.053 0 CA-C-N 113.386 -1.734 . . . . 76.07 106.923 178.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 59.2 tt0 -99.28 142.44 30.75 Favored 'General case' 0 C--N 1.288 -2.09 0 C-N-CA 117.942 -1.503 . . . . 62.98 109.362 -178.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 44.8 t -88.83 86.77 2.67 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.975 0 C-N-CA 119.921 -0.712 . . . . 46.8 109.579 -179.692 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.731 22.8 tptt -58.58 -82.79 0.01 OUTLIER 'General case' 0 C--O 1.241 0.634 0 N-CA-C 119.406 3.113 . . . . 100.0 119.406 -176.2 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 59' ' ' GLU . 6.4 t70 -143.17 87.88 1.99 Allowed 'General case' 0 CA--C 1.481 -1.7 0 CA-C-O 123.109 1.433 . . . . 100.0 109.366 -179.399 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.98 -49.2 3.68 Favored Glycine 0 N--CA 1.422 -2.234 0 N-CA-C 104.258 -3.537 . . . . 63.86 104.258 -175.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLU . . . . . 0.451 ' CB ' ' NZ ' ' A' ' 61' ' ' LYS . 34.3 mm-40 -80.66 142.83 33.56 Favored 'General case' 0 N--CA 1.424 -1.754 0 C-N-CA 126.979 2.112 . . . . 100.0 112.567 177.402 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -105.99 108.35 24.86 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.211 0 CA-C-N 112.259 -2.246 . . . . 57.41 108.9 175.173 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LYS . . . . . 0.451 ' NZ ' ' CB ' ' A' ' 59' ' ' GLU . 5.4 mmtt -99.68 176.12 2.09 Favored Pre-proline 0 CA--C 1.492 -1.252 0 C-N-CA 125.419 1.488 . . . . 100.0 107.78 179.342 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -85.76 -172.29 1.07 Allowed 'Trans proline' 0 N--CA 1.432 -2.127 0 CA-C-O 123.337 1.307 . . . . 45.72 113.282 179.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -161.93 112.81 1.18 Allowed Pre-proline 0 N--CA 1.427 -1.608 0 CA-C-N 110.643 -2.98 . . . . 48.65 110.442 179.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -84.62 173.28 40.54 Favored 'Cis proline' 0 N--CA 1.432 -2.11 0 C-N-CA 122.769 -1.763 . . . . 49.13 110.949 -2.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' SER . . . . . 0.486 ' O ' ' OG ' ' A' ' 65' ' ' SER . 0.3 OUTLIER -91.1 7.8 38.74 Favored 'General case' 0 CA--C 1.573 1.859 0 N-CA-C 121.458 3.873 . . . . 75.69 121.458 -178.859 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.38 1.911 0 CA-C-O 124.451 2.072 . . . . 82.7 111.617 179.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 401' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 402' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 403' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 1' ' ' ' DT' . . . . . 0.675 ' N3 ' ' N1 ' ' S' ' 8' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.405 -2.014 0 C5'-C4'-O4' 111.585 1.366 . . . . 90.51 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 2' ' ' ' DA' . . . . . 0.742 ' N1 ' ' N3 ' ' S' ' 7' ' ' ' DT' . . . . . . . . 1 O3'--C3' 1.515 6.472 0 O5'-C5'-C4' 114.52 3.086 . . . . 99.77 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' R' R ' 3' ' ' ' DT' . . . . . 0.799 ' N3 ' ' N1 ' ' S' ' 6' ' ' ' DA' . . . . . . . . 0 P--O3' 1.646 3.21 2 P-O3'-C3' 132.237 10.448 . . . . 91.04 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' R' R ' 4' ' ' ' DC' . . . . . 0.441 ' N4 ' ' O6 ' ' S' ' 5' ' ' ' DG' . . . . . . . . 1 O3'--C3' 1.516 6.518 3 O4'-C1'-N19 102.299 -6.877 . . . . 69.99 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' R' R ' 5' ' ' ' DG' . . . . . 0.443 ' O6 ' ' N4 ' ' S' ' 4' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.544 4.064 2 O5'-C5'-C4' 119.269 6.478 . . . . 66.9 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' R' R ' 6' ' ' ' DA' . . . . . 0.83 ' N1 ' ' N3 ' ' S' ' 3' ' ' ' DT' . . . . . . . . 0 P--O5' 1.568 -2.545 1 P-O5'-C5' 110.774 -6.328 . . . . 63.03 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' R' R ' 7' ' ' ' DT' . . . . . 0.941 H2'' " H5'" ' R' ' 8' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.465 2.585 1 O4'-C4'-C3' 100.818 -4.782 . . . . 82.06 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' R' R ' 8' ' ' ' DA' . . . . . 0.941 " H5'" H2'' ' R' ' 7' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.538 2.007 1 P-O3'-C3' 126.491 5.659 . . . . 83.96 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' S' S ' 1' ' ' ' DT' . . . . . 0.709 ' N3 ' ' N1 ' ' R' ' 8' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.405 -2.014 0 C5'-C4'-O4' 111.585 1.366 . . . . 90.51 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' S' S ' 2' ' ' ' DA' . . . . . 0.77 ' N1 ' ' N3 ' ' R' ' 7' ' ' ' DT' . . . . . . . . 1 O3'--C3' 1.515 6.472 0 O5'-C5'-C4' 114.52 3.086 . . . . 99.77 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' S' S ' 3' ' ' ' DT' . . . . . 0.83 ' N3 ' ' N1 ' ' R' ' 6' ' ' ' DA' . . . . . . . . 0 P--O3' 1.646 3.21 2 P-O3'-C3' 132.237 10.448 . . . . 91.04 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' S' S ' 4' ' ' ' DC' . . . . . 0.443 ' N4 ' ' O6 ' ' R' ' 5' ' ' ' DG' . . . . . . . . 1 O3'--C3' 1.516 6.518 3 O4'-C1'-N19 102.299 -6.877 . . . . 69.99 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' S' S ' 5' ' ' ' DG' . . . . . 0.441 ' O6 ' ' N4 ' ' R' ' 4' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.544 4.064 2 O5'-C5'-C4' 119.269 6.478 . . . . 66.9 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' S' S ' 6' ' ' ' DA' . . . . . 0.799 ' N1 ' ' N3 ' ' R' ' 3' ' ' ' DT' . . . . . . . . 0 P--O5' 1.568 -2.545 1 P-O5'-C5' 110.774 -6.328 . . . . 63.03 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' S' S ' 7' ' ' ' DT' . . . . . 0.964 H2'' " H5'" ' S' ' 8' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.465 2.621 1 O4'-C4'-C3' 100.818 -4.782 . . . . 82.06 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' S' S ' 8' ' ' ' DA' . . . . . 0.964 " H5'" H2'' ' S' ' 7' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.538 2.007 1 P-O3'-C3' 126.49 5.659 . . . . 83.96 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.837 0 CA-C-O 122.616 1.198 . . . . 90.72 111.334 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . 0.36 0.0 OUTLIER -158.13 -21.79 0.08 Allowed 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 112.851 -1.977 . . . . 100.0 113.551 178.963 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.97 114.08 1.72 Allowed 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 119.126 -1.03 . . . . 100.0 112.392 177.796 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ILE . . . . . 0.65 HG22 ' H ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -139.86 165.85 21.44 Favored 'Isoleucine or valine' 0 C--N 1.362 1.111 0 CA-C-O 124.717 2.198 . . . . 62.63 116.137 179.944 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 6' ' ' THR . . . . . 0.65 ' H ' HG22 ' A' ' 5' ' ' ILE 0.306 0.1 OUTLIER -73.83 165.09 25.74 Favored 'General case' 0 N--CA 1.422 -1.869 0 CA-C-N 110.374 -3.103 . . . . 60.81 103.584 178.428 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.7 tp -66.28 -61.8 1.82 Allowed 'General case' 0 N--CA 1.423 -1.822 0 CA-C-N 112.924 -1.944 . . . . 37.82 110.921 178.102 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . 0.709 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 32.5 tttt -41.09 -42.26 1.94 Allowed 'General case' 0 N--CA 1.425 -1.712 0 CA-C-O 125.177 2.418 . . . . 100.0 112.2 -179.272 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ASP . . . . . 0.621 ' HB3' ' NH1' ' A' ' 13' ' ' ARG . 1.0 OUTLIER -66.05 -60.79 2.49 Favored 'General case' 0 N--CA 1.409 -2.479 0 CA-C-N 111.121 -2.763 . . . . 81.63 109.077 -179.828 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 10' ' ' TYR . . . . . 0.724 ' CD2' HG23 ' A' ' 19' ' ' THR . 57.4 t80 -45.76 -31.78 2.19 Favored 'General case' 0 C--O 1.248 1.011 0 O-C-N 127.711 3.132 . . . . 50.62 110.645 179.732 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . 0.709 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -62.68 -67.44 0.42 Allowed 'General case' 0 N--CA 1.437 -1.101 0 CA-C-N 110.958 -2.837 . . . . 53.74 106.859 178.258 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 40.5 mtt -42.96 -42.48 3.76 Favored 'General case' 0 N--CA 1.432 -1.349 0 O-C-N 126.992 2.683 . . . . 61.6 111.982 178.487 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ARG . . . . . 0.621 ' NH1' ' HB3' ' A' ' 9' ' ' ASP 0.295 0.1 OUTLIER -66.21 -76.5 0.08 Allowed 'General case' 0 C--O 1.243 0.72 0 C-N-CA 117.858 -1.537 . . . . 100.0 114.617 177.302 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 14' ' ' PHE . . . . . 0.546 ' CD2' ' HD3' ' A' ' 18' ' ' LYS . 2.9 m-85 -85.54 8.36 19.55 Favored 'General case' 0 C--O 1.249 1.043 0 N-CA-C 120.065 3.357 . . . . 53.11 120.065 -176.88 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.39 133.36 0.01 OUTLIER Glycine 0 C--O 1.251 1.182 0 O-C-N 119.325 -2.109 . . . . 39.36 118.161 178.683 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLN . . . . . 0.585 ' NE2' ' OD1' ' A' ' 31' ' ' ASN . 7.4 mt-30 -40.22 -31.34 0.13 Allowed 'General case' 0 N--CA 1.445 -0.682 0 CA-C-O 125.107 2.384 . . . . 40.68 115.129 -177.983 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' THR . . . . . 0.409 HG22 ' N ' ' A' ' 18' ' ' LYS . 1.2 m -68.21 -62.71 1.28 Allowed 'General case' 0 N--CA 1.422 -1.85 0 C-N-CA 115.818 -2.353 . . . . 50.94 109.903 178.624 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . 0.546 ' HD3' ' CD2' ' A' ' 14' ' ' PHE . 48.2 tttp -51.09 -42.71 60.8 Favored 'General case' 0 CA--C 1.497 -1.093 0 O-C-N 124.843 1.339 . . . . 98.17 112.365 -178.711 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' THR . . . . . 0.724 HG23 ' CD2' ' A' ' 10' ' ' TYR . 2.7 m -52.44 -68.24 0.19 Allowed 'General case' 0 N--CA 1.442 -0.862 0 O-C-N 125.902 2.001 . . . . 46.95 109.235 -179.432 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ALA . . . . . 0.403 ' HA ' HD11 ' A' ' 30' ' ' ILE . . . -31.72 -61.43 0.22 Allowed 'General case' 0 CA--C 1.496 -1.118 0 C-N-CA 126.489 1.916 . . . . 42.89 114.632 178.919 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . . . -51.4 -55.25 19.65 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 126.464 2.353 . . . . 51.17 109.953 179.421 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -51.5 -45.56 62.88 Favored 'General case' 0 C--N 1.315 -0.906 0 O-C-N 124.208 0.942 . . . . 66.02 112.112 179.472 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . 0.525 ' HB2' HG13 ' A' ' 25' ' ' VAL . 12.3 mt -71.57 -33.64 69.26 Favored 'General case' 0 CA--C 1.481 -1.689 0 C-N-CA 118.194 -1.403 . . . . 38.95 110.083 -179.821 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.16 40.42 6.56 Favored Glycine 0 N--CA 1.438 -1.189 0 O-C-N 126.409 2.318 . . . . 38.7 110.397 -179.432 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' VAL . . . . . 0.582 HG23 ' N ' ' A' ' 26' ' ' TYR . 1.4 m -129.84 177.12 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.984 0 N-CA-C 106.763 -1.569 . . . . 42.1 106.763 178.741 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' TYR . . . . . 0.638 ' O ' ' N ' ' A' ' 29' ' ' ALA . 4.1 m-30 -86.15 129.48 34.83 Favored 'General case' 0 C--N 1.31 -1.13 0 C-N-CA 120.012 -0.675 . . . . 73.22 110.717 -178.525 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -31.86 -46.48 0.11 Allowed 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 124.32 2.009 . . . . 94.96 113.9 178.943 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.6 -31.73 72.98 Favored 'General case' 0 N--CA 1.401 -2.879 0 CA-C-N 112.448 -2.16 . . . . 63.75 109.999 -178.324 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ALA . . . . . 0.638 ' N ' ' O ' ' A' ' 26' ' ' TYR . . . -52.3 -45.21 65.45 Favored 'General case' 0 CA--C 1.479 -1.782 0 O-C-N 127.193 2.808 . . . . 32.95 108.831 -175.641 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ILE . . . . . 0.683 HG22 ' N ' ' A' ' 31' ' ' ASN . 46.8 mt -62.43 -71.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.674 0 O-C-N 128.714 3.759 . . . . 32.91 118.459 -178.299 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ASN . . . . . 0.969 ' HA ' HD12 ' A' ' 34' ' ' ILE . 26.1 t30 -49.56 -33.76 15.8 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 123.425 1.583 . . . . 72.33 110.953 -178.56 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.1 tttt -64.46 -48.62 74.59 Favored 'General case' 0 N--CA 1.428 -1.561 0 CA-C-N 113.126 -1.852 . . . . 100.0 107.89 178.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 30' ' ' ILE . . . -51.79 -55.54 19.22 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 114.255 -1.338 . . . . 44.82 110.365 178.115 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ILE . . . . . 0.969 HD12 ' HA ' ' A' ' 31' ' ' ASN . 8.9 mt -57.9 -48.02 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.613 0 CA-C-N 114.748 -1.114 . . . . 48.95 109.497 177.532 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . 0.294 21.4 m80 -52.91 -24.65 9.68 Favored 'General case' 0 CA--C 1.495 -1.162 0 CA-C-O 122.859 1.314 . . . . 67.19 114.151 -179.505 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.88 -2.76 43.22 Favored 'General case' 0 N--CA 1.427 -1.577 0 CA-C-N 112.539 -2.118 . . . . 65.47 111.22 178.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 47.7 77.01 0.12 Allowed Glycine 0 CA--C 1.534 1.268 0 CA-C-N 115.833 -0.621 . . . . 59.98 112.973 -179.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ARG . . . . . 0.404 ' O ' HD12 ' A' ' 40' ' ' ILE . 39.3 mtp180 -110.08 138.71 46.09 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 107.504 -1.295 . . . . 58.34 107.504 177.799 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.0 mttt -74.65 92.91 2.48 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-O 120.97 0.414 . . . . 100.0 111.654 -178.056 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ILE . . . . . 0.521 HG13 ' HB2' ' A' ' 54' ' ' GLU . 3.4 mp -120.84 145.2 27.67 Favored 'Isoleucine or valine' 0 CA--C 1.462 -2.432 0 N-CA-C 105.453 -2.054 . . . . 35.25 105.453 -179.456 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' PHE . . . . . 0.667 ' C ' HD12 ' A' ' 42' ' ' LEU . 44.2 m-85 -131.78 155.38 47.85 Favored 'General case' 0 N--CA 1.408 -2.553 0 C-N-CA 117.297 -1.761 . . . . 35.0 106.686 -178.802 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' LEU . . . . . 0.668 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 11.0 mp -131.29 144.8 51.55 Favored 'General case' 0 N--CA 1.411 -2.415 0 O-C-N 125.378 1.674 . . . . 48.21 108.308 -177.03 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' THR . . . . . 0.658 ' C ' HD12 ' A' ' 44' ' ' ILE . 0.3 OUTLIER -115.61 157.61 23.91 Favored 'General case' 0 CA--C 1.496 -1.124 0 O-C-N 125.45 1.719 . . . . 57.67 109.939 -178.739 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ILE . . . . . 0.658 HD12 ' C ' ' A' ' 43' ' ' THR . 3.5 mp -123.98 95.0 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.844 0 N-CA-C 118.06 2.615 . . . . 69.87 118.06 -179.794 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ASN . . . . . 0.779 ' HB2' ' OG ' ' A' ' 49' ' ' SER . 22.7 m-20 -56.09 127.6 31.36 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 108.035 -1.098 . . . . 100.0 108.035 178.302 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ALA . . . . . 0.447 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -32.64 -31.18 0.01 OUTLIER 'General case' 0 C--N 1.354 0.767 0 O-C-N 126.042 2.089 . . . . 86.92 113.555 -178.324 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' A' ' 47' ' ' ASP . 9.6 p-10 -81.06 28.5 0.36 Allowed 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 124.833 1.333 . . . . 92.03 109.669 177.793 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 55.78 14.58 7.67 Favored Glycine 0 N--CA 1.44 -1.096 0 CA-C-N 113.577 -1.647 . . . . 74.05 113.837 179.433 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' SER . . . . . 0.779 ' OG ' ' HB2' ' A' ' 45' ' ' ASN . 0.2 OUTLIER -83.37 132.32 35.0 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 119.404 1.602 . . . . 67.51 112.56 -179.376 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 50' ' ' VAL . . . . . 0.62 HG12 ' N ' ' A' ' 51' ' ' TYR . 11.4 t -97.22 164.3 2.29 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.663 0 N-CA-C 113.189 0.811 . . . . 61.65 113.189 -178.473 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' TYR . . . . . 0.668 ' O ' ' HA ' ' A' ' 42' ' ' LEU 0.399 0.0 OUTLIER -163.6 148.62 10.91 Favored 'General case' 0 C--O 1.247 0.966 0 CA-C-N 113.643 -1.617 . . . . 95.44 110.552 175.576 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -126.53 170.7 11.75 Favored 'General case' 0 C--N 1.313 -0.99 0 C-N-CA 117.144 -1.822 . . . . 40.37 114.434 -177.72 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLU . . . . . 0.446 ' OE1' HG21 ' A' ' 60' ' ' VAL . 12.8 pt-20 -169.89 128.51 0.92 Allowed 'General case' 0 N--CA 1.418 -2.053 0 CA-C-N 113.386 -1.734 . . . . 76.07 106.923 178.969 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLU . . . . . 0.521 ' HB2' HG13 ' A' ' 40' ' ' ILE . 59.2 tt0 -99.28 142.44 30.75 Favored 'General case' 0 C--N 1.288 -2.09 0 C-N-CA 117.942 -1.503 . . . . 62.98 109.362 -178.109 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' VAL . . . . . 0.479 HG12 ' O ' ' A' ' 55' ' ' VAL . 44.8 t -88.83 86.77 2.67 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.975 0 C-N-CA 119.921 -0.712 . . . . 46.8 109.579 -179.692 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LYS . . . . . 0.738 ' HB3' ' HE3' ' A' ' 61' ' ' LYS 0.731 22.8 tptt -58.58 -82.79 0.01 OUTLIER 'General case' 0 C--O 1.241 0.634 0 N-CA-C 119.406 3.113 . . . . 100.0 119.406 -176.2 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ASP . . . . . 0.486 ' C ' ' H ' ' A' ' 59' ' ' GLU . 6.4 t70 -143.17 87.88 1.99 Allowed 'General case' 0 CA--C 1.481 -1.7 0 CA-C-O 123.109 1.433 . . . . 100.0 109.366 -179.399 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.98 -49.2 3.68 Favored Glycine 0 N--CA 1.422 -2.234 0 N-CA-C 104.258 -3.537 . . . . 63.86 104.258 -175.768 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLU . . . . . 0.767 ' HB2' ' HE2' ' A' ' 61' ' ' LYS . 34.3 mm-40 -80.66 142.83 33.56 Favored 'General case' 0 N--CA 1.424 -1.754 0 C-N-CA 126.979 2.112 . . . . 100.0 112.567 177.402 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 60' ' ' VAL . 0.2 OUTLIER -105.99 108.35 24.86 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.211 0 CA-C-N 112.259 -2.246 . . . . 57.41 108.9 175.173 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LYS . . . . . 0.767 ' HE2' ' HB2' ' A' ' 59' ' ' GLU . 5.4 mmtt -99.68 176.12 2.09 Favored Pre-proline 0 CA--C 1.492 -1.252 0 C-N-CA 125.419 1.488 . . . . 100.0 107.78 179.342 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -85.76 -172.29 1.07 Allowed 'Trans proline' 0 N--CA 1.432 -2.127 0 CA-C-O 123.337 1.307 . . . . 45.72 113.282 179.272 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' PHE . . . . . 0.488 ' HA ' ' HA ' ' A' ' 64' ' ' PRO . 31.4 t80 -161.93 112.81 1.18 Allowed Pre-proline 0 N--CA 1.427 -1.608 0 CA-C-N 110.643 -2.98 . . . . 48.65 110.442 179.631 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' PRO . . . . . 0.488 ' HA ' ' HA ' ' A' ' 63' ' ' PHE . 57.6 Cg_endo -84.62 173.28 40.54 Favored 'Cis proline' 0 N--CA 1.432 -2.11 0 C-N-CA 122.769 -1.763 . . . . 49.13 110.949 -2.222 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' SER . . . . . 0.486 ' O ' ' OG ' ' A' ' 65' ' ' SER . 0.3 OUTLIER -91.1 7.8 38.74 Favored 'General case' 0 CA--C 1.573 1.859 0 N-CA-C 121.458 3.873 . . . . 75.69 121.458 -178.859 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.38 1.911 0 CA-C-O 124.451 2.072 . . . . 82.7 111.617 179.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 401' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 402' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 403' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 1' ' ' ' DT' . . . . . 0.675 ' N3 ' ' N1 ' ' S' ' 8' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.405 -2.014 0 C5'-C4'-O4' 111.585 1.366 . . . . 90.51 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 2' ' ' ' DA' . . . . . 0.742 ' N1 ' ' N3 ' ' S' ' 7' ' ' ' DT' . . . . . . . . 1 O3'--C3' 1.515 6.472 0 O5'-C5'-C4' 114.52 3.086 . . . . 99.77 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' R' R ' 3' ' ' ' DT' . . . . . 0.799 ' N3 ' ' N1 ' ' S' ' 6' ' ' ' DA' . . . . . . . . 0 P--O3' 1.646 3.21 2 P-O3'-C3' 132.237 10.448 . . . . 91.04 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' R' R ' 4' ' ' ' DC' . . . . . 0.441 ' N4 ' ' O6 ' ' S' ' 5' ' ' ' DG' . . . . . . . . 1 O3'--C3' 1.516 6.518 3 O4'-C1'-N19 102.299 -6.877 . . . . 69.99 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' R' R ' 5' ' ' ' DG' . . . . . 0.443 ' O6 ' ' N4 ' ' S' ' 4' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.544 4.064 2 O5'-C5'-C4' 119.269 6.478 . . . . 66.9 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' R' R ' 6' ' ' ' DA' . . . . . 0.83 ' N1 ' ' N3 ' ' S' ' 3' ' ' ' DT' . . . . . . . . 0 P--O5' 1.568 -2.545 1 P-O5'-C5' 110.774 -6.328 . . . . 63.03 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' R' R ' 7' ' ' ' DT' . . . . . 0.941 H2'' " H5'" ' R' ' 8' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.465 2.585 1 O4'-C4'-C3' 100.818 -4.782 . . . . 82.06 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' R' R ' 8' ' ' ' DA' . . . . . 0.941 " H5'" H2'' ' R' ' 7' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.538 2.007 1 P-O3'-C3' 126.491 5.659 . . . . 83.96 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' S' S ' 1' ' ' ' DT' . . . . . 0.709 ' N3 ' ' N1 ' ' R' ' 8' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.405 -2.014 0 C5'-C4'-O4' 111.585 1.366 . . . . 90.51 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' S' S ' 2' ' ' ' DA' . . . . . 0.77 ' N1 ' ' N3 ' ' R' ' 7' ' ' ' DT' . . . . . . . . 1 O3'--C3' 1.515 6.472 0 O5'-C5'-C4' 114.52 3.086 . . . . 99.77 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' S' S ' 3' ' ' ' DT' . . . . . 0.83 ' N3 ' ' N1 ' ' R' ' 6' ' ' ' DA' . . . . . . . . 0 P--O3' 1.646 3.21 2 P-O3'-C3' 132.237 10.448 . . . . 91.04 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' S' S ' 4' ' ' ' DC' . . . . . 0.443 ' N4 ' ' O6 ' ' R' ' 5' ' ' ' DG' . . . . . . . . 1 O3'--C3' 1.516 6.518 3 O4'-C1'-N19 102.299 -6.877 . . . . 69.99 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' S' S ' 5' ' ' ' DG' . . . . . 0.441 ' O6 ' ' N4 ' ' R' ' 4' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.544 4.064 2 O5'-C5'-C4' 119.269 6.478 . . . . 66.9 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' S' S ' 6' ' ' ' DA' . . . . . 0.799 ' N1 ' ' N3 ' ' R' ' 3' ' ' ' DT' . . . . . . . . 0 P--O5' 1.568 -2.545 1 P-O5'-C5' 110.774 -6.328 . . . . 63.03 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' S' S ' 7' ' ' ' DT' . . . . . 0.964 H2'' " H5'" ' S' ' 8' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.465 2.621 1 O4'-C4'-C3' 100.818 -4.782 . . . . 82.06 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' S' S ' 8' ' ' ' DA' . . . . . 0.964 " H5'" H2'' ' S' ' 7' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.538 2.007 1 P-O3'-C3' 126.49 5.659 . . . . 83.96 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.837 0 CA-C-O 122.616 1.198 . . . . 90.72 111.334 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . 0.36 0.0 OUTLIER -158.13 -21.79 0.08 Allowed 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 112.851 -1.977 . . . . 100.0 113.551 178.963 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.97 114.08 1.72 Allowed 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 119.126 -1.03 . . . . 100.0 112.392 177.796 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.65 HG22 ' H ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -139.86 165.85 21.44 Favored 'Isoleucine or valine' 0 C--N 1.362 1.111 0 CA-C-O 124.717 2.198 . . . . 62.63 116.137 179.944 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' THR . . . . . 0.65 ' H ' HG22 ' A' ' 5' ' ' ILE 0.306 0.1 OUTLIER -73.83 165.09 25.74 Favored 'General case' 0 N--CA 1.422 -1.869 0 CA-C-N 110.374 -3.103 . . . . 60.81 103.584 178.428 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.7 tp -66.28 -61.8 1.82 Allowed 'General case' 0 N--CA 1.423 -1.822 0 CA-C-N 112.924 -1.944 . . . . 37.82 110.921 178.102 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.709 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 32.5 tttt -41.09 -42.26 1.94 Allowed 'General case' 0 N--CA 1.425 -1.712 0 CA-C-O 125.177 2.418 . . . . 100.0 112.2 -179.272 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.621 ' HB3' ' NH1' ' A' ' 13' ' ' ARG . 1.0 OUTLIER -66.05 -60.79 2.49 Favored 'General case' 0 N--CA 1.409 -2.479 0 CA-C-N 111.121 -2.763 . . . . 81.63 109.077 -179.828 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.724 ' CD2' HG23 ' A' ' 19' ' ' THR . 57.4 t80 -45.76 -31.78 2.19 Favored 'General case' 0 C--O 1.248 1.011 0 O-C-N 127.711 3.132 . . . . 50.62 110.645 179.732 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.709 ' HB3' ' O ' ' A' ' 8' ' ' LYS . . . -62.68 -67.44 0.42 Allowed 'General case' 0 N--CA 1.437 -1.101 0 CA-C-N 110.958 -2.837 . . . . 53.74 106.859 178.258 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 40.5 mtt -42.96 -42.48 3.76 Favored 'General case' 0 N--CA 1.432 -1.349 0 O-C-N 126.992 2.683 . . . . 61.6 111.982 178.487 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.621 ' NH1' ' HB3' ' A' ' 9' ' ' ASP 0.295 0.1 OUTLIER -66.21 -76.5 0.08 Allowed 'General case' 0 C--O 1.243 0.72 0 C-N-CA 117.858 -1.537 . . . . 100.0 114.617 177.302 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.546 ' CD2' ' HD3' ' A' ' 18' ' ' LYS . 2.9 m-85 -85.54 8.36 19.55 Favored 'General case' 0 C--O 1.249 1.043 0 N-CA-C 120.065 3.357 . . . . 53.11 120.065 -176.88 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.39 133.36 0.01 OUTLIER Glycine 0 C--O 1.251 1.182 0 O-C-N 119.325 -2.109 . . . . 39.36 118.161 178.683 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLN . . . . . 1.004 HE22 ' HB2' ' A' ' 31' ' ' ASN . 1.7 mt-30 -40.22 -31.34 0.13 Allowed 'General case' 0 N--CA 1.445 -0.682 0 CA-C-O 125.107 2.384 . . . . 40.68 115.129 -177.983 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' THR . . . . . 0.64 ' OG1' ' NE2' ' A' ' 27' ' ' GLN . 1.2 m -68.21 -62.71 1.28 Allowed 'General case' 0 N--CA 1.422 -1.85 0 C-N-CA 115.818 -2.353 . . . . 50.94 109.903 178.624 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.546 ' HD3' ' CD2' ' A' ' 14' ' ' PHE . 48.2 tttp -51.09 -42.71 60.8 Favored 'General case' 0 CA--C 1.497 -1.093 0 O-C-N 124.843 1.339 . . . . 98.17 112.365 -178.711 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' THR . . . . . 0.724 HG23 ' CD2' ' A' ' 10' ' ' TYR . 2.7 m -52.44 -68.24 0.19 Allowed 'General case' 0 N--CA 1.442 -0.862 0 O-C-N 125.902 2.001 . . . . 46.95 109.235 -179.432 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.403 ' HA ' HD11 ' A' ' 30' ' ' ILE . . . -31.72 -61.43 0.22 Allowed 'General case' 0 CA--C 1.496 -1.118 0 C-N-CA 126.489 1.916 . . . . 42.89 114.632 178.919 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . . . -51.4 -55.25 19.65 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 126.464 2.353 . . . . 51.17 109.953 179.421 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -51.5 -45.56 62.88 Favored 'General case' 0 C--N 1.315 -0.906 0 O-C-N 124.208 0.942 . . . . 66.02 112.112 179.472 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.525 ' HB2' HG13 ' A' ' 25' ' ' VAL . 12.3 mt -71.57 -33.64 69.26 Favored 'General case' 0 CA--C 1.481 -1.689 0 C-N-CA 118.194 -1.403 . . . . 38.95 110.083 -179.821 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.16 40.42 6.56 Favored Glycine 0 N--CA 1.438 -1.189 0 O-C-N 126.409 2.318 . . . . 38.7 110.397 -179.432 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.582 HG23 ' N ' ' A' ' 26' ' ' TYR . 1.4 m -129.84 177.12 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.984 0 N-CA-C 106.763 -1.569 . . . . 42.1 106.763 178.741 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.638 ' O ' ' N ' ' A' ' 29' ' ' ALA . 4.1 m-30 -86.15 129.48 34.83 Favored 'General case' 0 C--N 1.31 -1.13 0 C-N-CA 120.012 -0.675 . . . . 73.22 110.717 -178.525 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.64 ' NE2' ' OG1' ' A' ' 17' ' ' THR . 0.4 OUTLIER -31.86 -46.48 0.11 Allowed 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 124.32 2.009 . . . . 94.96 113.9 178.943 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.6 -31.73 72.98 Favored 'General case' 0 N--CA 1.401 -2.879 0 CA-C-N 112.448 -2.16 . . . . 63.75 109.999 -178.324 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.638 ' N ' ' O ' ' A' ' 26' ' ' TYR . . . -52.3 -45.21 65.45 Favored 'General case' 0 CA--C 1.479 -1.782 0 O-C-N 127.193 2.808 . . . . 32.95 108.831 -175.641 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.683 HG22 ' N ' ' A' ' 31' ' ' ASN . 46.8 mt -62.43 -71.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.674 0 O-C-N 128.714 3.759 . . . . 32.91 118.459 -178.299 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ASN . . . . . 1.004 ' HB2' HE22 ' A' ' 16' ' ' GLN . 11.6 t-20 -49.56 -33.76 15.8 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 123.425 1.583 . . . . 72.33 110.953 -178.56 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.1 tttt -64.46 -48.62 74.59 Favored 'General case' 0 N--CA 1.428 -1.561 0 CA-C-N 113.126 -1.852 . . . . 100.0 107.89 178.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 30' ' ' ILE . . . -51.79 -55.54 19.22 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 114.255 -1.338 . . . . 44.82 110.365 178.115 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.969 HD12 ' HA ' ' A' ' 31' ' ' ASN . 8.9 mt -57.9 -48.02 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.613 0 CA-C-N 114.748 -1.114 . . . . 48.95 109.497 177.532 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . 0.294 21.4 m80 -52.91 -24.65 9.68 Favored 'General case' 0 CA--C 1.495 -1.162 0 CA-C-O 122.859 1.314 . . . . 67.19 114.151 -179.505 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.88 -2.76 43.22 Favored 'General case' 0 N--CA 1.427 -1.577 0 CA-C-N 112.539 -2.118 . . . . 65.47 111.22 178.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 47.7 77.01 0.12 Allowed Glycine 0 CA--C 1.534 1.268 0 CA-C-N 115.833 -0.621 . . . . 59.98 112.973 -179.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.404 ' O ' HD12 ' A' ' 40' ' ' ILE . 39.3 mtp180 -110.08 138.71 46.09 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 107.504 -1.295 . . . . 58.34 107.504 177.799 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.0 mttt -74.65 92.91 2.48 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-O 120.97 0.414 . . . . 100.0 111.654 -178.056 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.521 HG13 ' HB2' ' A' ' 54' ' ' GLU . 3.4 mp -120.84 145.2 27.67 Favored 'Isoleucine or valine' 0 CA--C 1.462 -2.432 0 N-CA-C 105.453 -2.054 . . . . 35.25 105.453 -179.456 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.667 ' C ' HD12 ' A' ' 42' ' ' LEU . 44.2 m-85 -131.78 155.38 47.85 Favored 'General case' 0 N--CA 1.408 -2.553 0 C-N-CA 117.297 -1.761 . . . . 35.0 106.686 -178.802 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.668 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 11.0 mp -131.29 144.8 51.55 Favored 'General case' 0 N--CA 1.411 -2.415 0 O-C-N 125.378 1.674 . . . . 48.21 108.308 -177.03 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' THR . . . . . 0.658 ' C ' HD12 ' A' ' 44' ' ' ILE . 0.3 OUTLIER -115.61 157.61 23.91 Favored 'General case' 0 CA--C 1.496 -1.124 0 O-C-N 125.45 1.719 . . . . 57.67 109.939 -178.739 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.658 HD12 ' C ' ' A' ' 43' ' ' THR . 3.5 mp -123.98 95.0 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.844 0 N-CA-C 118.06 2.615 . . . . 69.87 118.06 -179.794 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.779 ' HB2' ' OG ' ' A' ' 49' ' ' SER . 22.7 m-20 -56.09 127.6 31.36 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 108.035 -1.098 . . . . 100.0 108.035 178.302 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.447 ' C ' ' H ' ' A' ' 48' ' ' GLY . . . -32.64 -31.18 0.01 OUTLIER 'General case' 0 C--N 1.354 0.767 0 O-C-N 126.042 2.089 . . . . 86.92 113.555 -178.324 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' A' ' 47' ' ' ASP . 9.6 p-10 -81.06 28.5 0.36 Allowed 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 124.833 1.333 . . . . 92.03 109.669 177.793 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 55.78 14.58 7.67 Favored Glycine 0 N--CA 1.44 -1.096 0 CA-C-N 113.577 -1.647 . . . . 74.05 113.837 179.433 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' SER . . . . . 0.779 ' OG ' ' HB2' ' A' ' 45' ' ' ASN . 0.2 OUTLIER -83.37 132.32 35.0 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 119.404 1.602 . . . . 67.51 112.56 -179.376 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.62 HG12 ' N ' ' A' ' 51' ' ' TYR . 11.4 t -97.22 164.3 2.29 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.663 0 N-CA-C 113.189 0.811 . . . . 61.65 113.189 -178.473 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.668 ' O ' ' HA ' ' A' ' 42' ' ' LEU 0.399 0.0 OUTLIER -163.6 148.62 10.91 Favored 'General case' 0 C--O 1.247 0.966 0 CA-C-N 113.643 -1.617 . . . . 95.44 110.552 175.576 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -126.53 170.7 11.75 Favored 'General case' 0 C--N 1.313 -0.99 0 C-N-CA 117.144 -1.822 . . . . 40.37 114.434 -177.72 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.446 ' OE1' HG21 ' A' ' 60' ' ' VAL . 12.8 pt-20 -169.89 128.51 0.92 Allowed 'General case' 0 N--CA 1.418 -2.053 0 CA-C-N 113.386 -1.734 . . . . 76.07 106.923 178.969 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.521 ' HB2' HG13 ' A' ' 40' ' ' ILE . 59.2 tt0 -99.28 142.44 30.75 Favored 'General case' 0 C--N 1.288 -2.09 0 C-N-CA 117.942 -1.503 . . . . 62.98 109.362 -178.109 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.479 HG12 ' O ' ' A' ' 55' ' ' VAL . 44.8 t -88.83 86.77 2.67 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.975 0 C-N-CA 119.921 -0.712 . . . . 46.8 109.579 -179.692 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.738 ' HB3' ' HE3' ' A' ' 61' ' ' LYS 0.731 22.8 tptt -58.58 -82.79 0.01 OUTLIER 'General case' 0 C--O 1.241 0.634 0 N-CA-C 119.406 3.113 . . . . 100.0 119.406 -176.2 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.486 ' C ' ' H ' ' A' ' 59' ' ' GLU . 6.4 t70 -143.17 87.88 1.99 Allowed 'General case' 0 CA--C 1.481 -1.7 0 CA-C-O 123.109 1.433 . . . . 100.0 109.366 -179.399 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.98 -49.2 3.68 Favored Glycine 0 N--CA 1.422 -2.234 0 N-CA-C 104.258 -3.537 . . . . 63.86 104.258 -175.768 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.767 ' HB2' ' HE2' ' A' ' 61' ' ' LYS . 34.3 mm-40 -80.66 142.83 33.56 Favored 'General case' 0 N--CA 1.424 -1.754 0 C-N-CA 126.979 2.112 . . . . 100.0 112.567 177.402 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 60' ' ' VAL . 0.2 OUTLIER -105.99 108.35 24.86 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.211 0 CA-C-N 112.259 -2.246 . . . . 57.41 108.9 175.173 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.767 ' HE2' ' HB2' ' A' ' 59' ' ' GLU . 5.4 mmtt -99.68 176.12 2.09 Favored Pre-proline 0 CA--C 1.492 -1.252 0 C-N-CA 125.419 1.488 . . . . 100.0 107.78 179.342 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -85.76 -172.29 1.07 Allowed 'Trans proline' 0 N--CA 1.432 -2.127 0 CA-C-O 123.337 1.307 . . . . 45.72 113.282 179.272 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.488 ' HA ' ' HA ' ' A' ' 64' ' ' PRO . 31.4 t80 -161.93 112.81 1.18 Allowed Pre-proline 0 N--CA 1.427 -1.608 0 CA-C-N 110.643 -2.98 . . . . 48.65 110.442 179.631 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.488 ' HA ' ' HA ' ' A' ' 63' ' ' PHE . 57.6 Cg_endo -84.62 173.28 40.54 Favored 'Cis proline' 0 N--CA 1.432 -2.11 0 C-N-CA 122.769 -1.763 . . . . 49.13 110.949 -2.222 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' SER . . . . . 0.486 ' O ' ' OG ' ' A' ' 65' ' ' SER . 0.3 OUTLIER -91.1 7.8 38.74 Favored 'General case' 0 CA--C 1.573 1.859 0 N-CA-C 121.458 3.873 . . . . 75.69 121.458 -178.859 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.38 1.911 0 CA-C-O 124.451 2.072 . . . . 82.7 111.617 179.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 401' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 402' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 403' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_