data_6cro_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 6cro _Structure_validation_residue.Date_analyzed 2016-10-13 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' ' ' ' DA' . . . . . 0.764 ' C6 ' ' C4 ' ' U' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.494 -2.096 2 O4'-C1'-N19 116.572 10.965 . . . . 57.68 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' R' R ' 2' ' ' ' DC' . . . . . 0.903 ' N4 ' ' O6 ' ' U' ' 2' ' ' ' DG' . . . . . . . . 3 O5'--C5' 1.365 -4.715 1 P-O5'-C5' 108.173 -7.954 . . . . 59.159999999999997 . . . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' R' R ' 3' ' ' ' DT' . . . . . 0.451 ' N3 ' ' N1 ' ' U' ' 19' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.382 -3.798 1 P-O3'-C3' 112.187 -6.26 . . . . 46.990000000000002 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' R' R ' 4' ' ' ' DA' . . . . . 0.664 ' OP2' ' ND2' ' A' ' 31' ' ' ASN . . . . . . . . 1 O3'--C3' 1.355 -5.814 1 O4'-C1'-N19 101.951 -7.311 . . . . 54.659999999999997 . . . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' R' R ' 5' ' ' ' DT' . . . . . 0.515 ' N3 ' ' N1 ' ' R' ' 17' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.124 0 O5'-C5'-C4' 114.165 2.832 . . . . 67.819999999999993 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 6' ' ' ' DC' . . . . . 0.746 ' N4 ' ' O6 ' ' R' ' 16' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.479 3.677 4 O5'-C5'-C4' 103.144 -5.04 . . . . 77.950000000000003 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' R' R ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.057 1 O4'-C1'-N19 112.596 5.995 . . . . 82.230000000000004 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.471 2.287 2 P-O3'-C3' 129.781 8.401 . . . . 80.420000000000002 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 9' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.607 1.438 0 O4'-C1'-C2' 109.024 2.659 . . . . 81.769999999999996 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' R' R ' 10' ' ' ' DG' . . . . . 0.565 ' C6 ' ' O6 ' ' R' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.54 3.566 1 P-O3'-C3' 125.441 4.785 . . . . 81.780000000000001 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' R' R ' 11' ' ' ' DC' . . . . . 0.875 ' N4 ' ' O6 ' ' U' ' 11' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.407 -1.85 0 O4'-C1'-C2' 102.962 -2.852 . . . . 71.920000000000002 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 12' ' ' ' DG' . . . . . 0.933 ' O6 ' ' N4 ' ' U' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.398 -2.624 0 C4'-C3'-C2' 106.162 2.962 . . . . 62.299999999999997 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 13' ' ' ' DG' . . . . . 0.518 ' C6 ' ' C6 ' ' R' ' 12' ' ' ' DG' . . . . . . . . 1 O3'--C3' 1.329 -7.838 1 P-O5'-C5' 114.339 -4.101 . . . . 54.969999999999999 . . . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' R' R ' 14' ' ' ' DG' . . . . . 0.676 ' OP1' ' NH2' ' A' ' 38' ' ' ARG . . . . . . . . 1 P--O3' 1.545 -5.15 1 P-O3'-C3' 110.887 -7.344 . . . . 57.350000000000001 . . . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' R' R ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.398 -2.564 1 O4'-C1'-N19 112.842 6.303 . . . . 55.659999999999997 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 16' ' ' ' DG' . . . . . 0.746 ' O6 ' ' N4 ' ' R' ' 6' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.542 2.39 0 C4'-C3'-C2' 106.577 3.377 . . . . 68.799999999999997 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 17' ' ' ' DA' . . . . . 0.515 ' N1 ' ' N3 ' ' R' ' 5' ' ' ' DT' . . . . . . . . 0 P--O5' 1.626 3.324 3 N19-C1'-C2' 103.266 -6.834 . . . . 74.340000000000003 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' R' R ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.091 3 O4'-C1'-N19 116.444 10.805 . . . . 76.25 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 19' ' ' ' DA' . . . . . 0.454 " C2'" ' C6 ' ' R' ' 20' ' ' ' DC' . . . . . . . . 0 P--O3' 1.653 3.813 0 P-O3'-C3' 124.224 3.77 . . . . 87.319999999999993 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' R' R ' 20' ' ' ' DC' . . . . . 0.454 ' C6 ' " C2'" ' R' ' 19' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.48 3.114 4 P-O3'-C3' 128.277 7.147 . . . . 91.340000000000003 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' U' U ' 1' ' ' ' DT' . . . . . 0.764 ' C4 ' ' C6 ' ' R' ' 1' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.494 -2.096 2 O4'-C1'-N19 98.389 -11.764 . . . . 54.57 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' U' U ' 2' ' ' ' DG' . . . . . 0.903 ' O6 ' ' N4 ' ' R' ' 2' ' ' ' DC' . . . . . . . . 3 O5'--C5' 1.365 -4.715 1 P-O5'-C5' 108.173 -7.954 . . . . 59.159999999999997 . . . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' U' U ' 3' ' ' ' DT' . . . . . 0.452 ' N3 ' ' N1 ' ' U' ' 19' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.382 -3.798 1 P-O3'-C3' 112.187 -6.26 . . . . 46.990000000000002 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' U' U ' 4' ' ' ' DA' . . . . . 0.659 ' OP2' ' ND2' ' A' ' 31' ' ' ASN . . . . . . . . 1 O3'--C3' 1.355 -5.814 1 O4'-C1'-N19 101.951 -7.311 . . . . 54.659999999999997 . . . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' U' U ' 5' ' ' ' DT' . . . . . 0.515 ' N3 ' ' N1 ' ' R' ' 17' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.124 0 O5'-C5'-C4' 114.165 2.832 . . . . 67.819999999999993 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' U' U ' 6' ' ' ' DC' . . . . . 0.745 ' N4 ' ' O6 ' ' R' ' 16' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.479 3.677 4 O5'-C5'-C4' 103.144 -5.04 . . . . 77.950000000000003 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' U' U ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.057 1 O4'-C1'-N19 112.596 5.995 . . . . 82.230000000000004 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' U' U ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.46 2.259 2 P-O3'-C3' 129.781 8.401 . . . . 80.420000000000002 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' U' U ' 9' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.607 1.438 0 O4'-C1'-C2' 109.065 2.695 . . . . 81.769999999999996 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' U' U ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.566 1 P-O3'-C3' 125.48 4.817 . . . . 81.780000000000001 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' U' U ' 11' ' ' ' DG' . . . . . 0.875 ' O6 ' ' N4 ' ' R' ' 11' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.406 -1.919 0 O4'-C1'-C2' 102.967 -2.848 . . . . 71.920000000000002 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' U' U ' 12' ' ' ' DC' . . . . . 0.933 ' N4 ' ' O6 ' ' R' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.399 -2.57 0 C4'-C3'-C2' 106.162 2.962 . . . . 62.299999999999997 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' U' U ' 13' ' ' ' DG' . . . . . 0.529 ' C6 ' ' C6 ' ' R' ' 12' ' ' ' DG' . . . . . . . . 1 O3'--C3' 1.329 -7.83 1 P-O5'-C5' 114.339 -4.101 . . . . 54.969999999999999 . . . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' U' U ' 14' ' ' ' DG' . . . . . 0.675 ' OP1' ' NH2' ' A' ' 38' ' ' ARG . . . . . . . . 1 P--O3' 1.545 -5.15 1 P-O3'-C3' 110.919 -7.318 . . . . 57.350000000000001 . . . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' U' U ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.398 -2.564 1 O4'-C1'-N19 112.861 6.326 . . . . 55.659999999999997 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' U' U ' 16' ' ' ' DG' . . . . . 0.727 ' O6 ' ' N4 ' ' R' ' 6' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.542 2.39 0 C4'-C3'-C2' 106.577 3.377 . . . . 68.799999999999997 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' U' U ' 17' ' ' ' DA' . . . . . 0.508 ' N1 ' ' N3 ' ' R' ' 5' ' ' ' DT' . . . . . . . . 0 P--O5' 1.626 3.324 3 N19-C1'-C2' 103.266 -6.834 . . . . 74.340000000000003 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' U' U ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.091 3 O4'-C1'-N19 116.444 10.805 . . . . 76.25 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' U' U ' 19' ' ' ' DA' . . . . . 0.452 " C2'" ' C6 ' ' R' ' 20' ' ' ' DC' . . . . . . . . 0 P--O3' 1.653 3.813 0 P-O3'-C3' 124.25 3.792 . . . . 87.319999999999993 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' U' U ' 20' ' ' ' DG' . . . . . 0.503 ' N3 ' ' N2 ' ' U' ' 2' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.48 3.114 4 P-O3'-C3' 128.277 7.147 . . . . 91.340000000000003 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.248 0.974 0 CA-C-O 119.877 -0.106 . . . . 100.0 111.284 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLN . . . . . 0.534 ' OE1' ' O4 ' ' A' ' 400' ' ' SO4 . 7.7 mt-30 -87.07 146.09 26.22 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 109.014 -0.736 . . . . 100.0 109.014 -2.993 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -100.92 124.8 47.16 Favored 'General case' 0 N--CA 1.439 -0.991 0 N-CA-C 104.772 -2.307 . . . . 60.549999999999997 104.772 175.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -146.56 154.99 12.06 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.37 0 C-N-CA 117.104 -1.838 . . . . 40.649999999999999 110.274 -179.366 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' THR . . . . . 0.462 ' CG2' ' N ' ' A' ' 9' ' ' ASP 0.254 0.9 OUTLIER -71.49 147.91 47.3 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 112.783 -2.008 . . . . 23.530000000000001 115.2 -177.508 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 11' ' ' ALA . 49.9 tp -57.98 -58.4 8.57 Favored 'General case' 0 N--CA 1.435 -1.199 0 C-N-CA 114.828 -2.749 . . . . 18.699999999999999 112.868 176.994 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.6 -52.2 10.96 Favored 'General case' 0 N--CA 1.434 -1.255 0 CA-C-O 123.643 1.687 . . . . 75.140000000000001 109.612 -178.04 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ASP . . . . . 0.462 ' N ' ' CG2' ' A' ' 6' ' ' THR 0.252 3.5 t0 -50.41 -57.38 8.12 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 111.466 -2.606 . . . . 52.380000000000003 111.184 178.779 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -57.59 -42.52 83.32 Favored 'General case' 0 N--CA 1.414 -2.269 0 CA-C-N 111.359 -2.655 . . . . 14.09 106.21 -177.158 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . -62.72 -40.85 98.45 Favored 'General case' 0 C--N 1.303 -1.434 0 C-N-CA 117.515 -1.674 . . . . 21.350000000000001 111.829 179.751 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -37.28 86.23 Favored 'General case' 0 N--CA 1.42 -1.968 0 C-N-CA 113.558 -3.257 . . . . 40.0 109.013 179.164 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ARG . . . . . 0.428 ' NH2' ' O1 ' ' A' ' 400' ' ' SO4 . 16.8 mmt85 -66.69 -51.03 60.65 Favored 'General case' 0 CA--C 1.497 -1.068 0 C-N-CA 116.322 -2.151 . . . . 42.729999999999997 111.171 -178.102 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -88.86 -21.31 23.75 Favored 'General case' 0 CA--C 1.494 -1.18 0 N-CA-C 120.648 3.573 . . . . 33.490000000000002 120.648 -173.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.03 128.86 6.18 Favored Glycine 0 CA--C 1.503 -0.658 0 C-N-CA 116.527 -2.749 . . . . 29.510000000000002 107.221 -177.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . 0.409 77.5 mt-30 -42.11 -45.91 4.13 Favored 'General case' 0 C--O 1.251 1.14 0 CA-C-O 125.143 2.401 . . . . 41.409999999999997 116.848 -173.161 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.253 0.0 OUTLIER -57.66 -57.0 14.64 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 118.197 2.666 . . . . 43.609999999999999 118.197 -177.545 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . 0.515 ' O ' ' N ' ' A' ' 22' ' ' ASP . 6.2 tttm -55.15 -52.16 64.19 Favored 'General case' 0 CA--C 1.492 -1.259 0 N-CA-C 107.817 -1.179 . . . . 68.400000000000006 107.817 -179.665 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' THR . . . . . 0.686 ' O ' ' N ' ' A' ' 22' ' ' ASP 0.278 7.8 m -45.0 -71.72 0.07 Allowed 'General case' 0 CA--C 1.492 -1.255 0 O-C-N 125.975 2.047 . . . . 32.740000000000002 107.038 -179.735 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ALA . . . . . 0.494 ' O ' ' C ' ' A' ' 21' ' ' LYS . . . -38.85 -54.56 1.61 Allowed 'General case' 0 N--CA 1.435 -1.219 0 CA-C-N 110.008 -3.269 . . . . 22.609999999999999 108.302 179.591 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . 0.494 ' C ' ' O ' ' A' ' 20' ' ' ALA . 10.0 ttpt -54.28 -52.11 62.46 Favored 'General case' 0 N--CA 1.414 -2.227 0 C-N-CA 114.477 -2.889 . . . . 100.0 108.294 176.426 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ASP . . . . . 0.686 ' N ' ' O ' ' A' ' 19' ' ' THR 0.302 6.5 m-20 -52.69 -32.38 42.27 Favored 'General case' 0 N--CA 1.438 -1.072 0 C-N-CA 114.275 -2.97 . . . . 39.75 113.302 -177.59 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . 0.362 0.3 OUTLIER -89.93 4.52 49.76 Favored 'General case' 0 C--N 1.31 -1.116 1 C-N-CA 110.338 -4.545 . . . . 34.719999999999999 113.878 179.996 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.56 61.52 6.17 Favored Glycine 0 N--CA 1.432 -1.592 0 C-N-CA 115.808 -3.091 . . . . 40.030000000000001 109.191 179.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.1 p -164.61 158.91 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 CA-C-N 112.42 -1.89 . . . . 45.380000000000003 107.17 179.047 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 29' ' ' ALA . 1.4 m-85 -75.01 132.48 41.37 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 115.206 1.558 . . . . 65.920000000000002 115.206 -177.497 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -33.03 -51.5 0.31 Allowed 'General case' 0 C--O 1.242 0.664 0 C-N-CA 127.388 2.275 . . . . 77.5 114.146 176.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.9 -37.17 42.18 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 115.393 -0.821 . . . . 49.670000000000002 110.146 178.64 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ALA . . . . . 0.679 ' O ' ' C ' ' A' ' 30' ' ' ILE . . . -52.4 -68.58 0.16 Allowed 'General case' 0 C--O 1.249 1.057 0 CA-C-O 124.08 1.895 . . . . 31.170000000000002 106.713 177.137 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ILE . . . . . 0.679 ' C ' ' O ' ' A' ' 29' ' ' ALA . 31.6 mm -34.39 -73.86 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.42 -1.974 0 CA-C-N 111.8 -2.455 . . . . 35.100000000000001 108.692 178.83 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ASN . . . . . 0.664 ' ND2' ' OP2' ' R' ' 4' ' ' ' DA' . 15.9 t-20 -31.44 -63.1 0.17 Allowed 'General case' 0 N--CA 1.43 -1.455 0 CA-C-N 112.014 -2.357 . . . . 39.009999999999998 113.429 -177.603 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 36' ' ' ALA . 35.4 tttt -46.39 -58.7 3.49 Favored 'General case' 0 N--CA 1.44 -0.953 0 CA-C-N 112.764 -2.017 . . . . 100.0 110.329 -178.385 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -46.44 -42.16 14.89 Favored 'General case' 0 CA--C 1.49 -1.345 0 CA-C-N 110.484 -3.053 . . . . 29.059999999999999 111.178 -178.523 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -75.22 -54.32 14.36 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.03 0 CA-C-N 113.697 -1.592 . . . . 41.640000000000001 109.55 -176.762 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 28.6 m80 -58.74 -31.48 68.35 Favored 'General case' 0 N--CA 1.42 -1.932 0 C-N-CA 115.193 -2.603 . . . . 57.560000000000002 109.789 -177.468 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 32' ' ' LYS . . . -52.59 -33.74 47.52 Favored 'General case' 0 N--CA 1.439 -1.02 0 O-C-N 127.195 2.81 . . . . 43.659999999999997 112.811 178.192 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.6 27.69 46.21 Favored Glycine 0 N--CA 1.439 -1.134 0 C-N-CA 118.948 -1.596 . . . . 39.090000000000003 110.401 -178.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ARG . . . . . 0.676 ' NH2' ' OP1' ' R' ' 14' ' ' ' DG' . 7.3 mtp180 -72.19 142.11 49.04 Favored 'General case' 0 C--O 1.208 -1.081 0 CA-C-O 117.853 -1.07 . . . . 39.009999999999998 108.635 178.953 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -88.66 107.84 19.14 Favored 'General case' 0 C--O 1.21 -0.979 0 CA-C-N 120.134 1.334 . . . . 83.739999999999995 108.324 179.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.305 0.2 OUTLIER -143.3 148.23 19.48 Favored 'Isoleucine or valine' 0 CA--C 1.474 -1.963 0 C-N-CA 118.002 -1.479 . . . . 27.780000000000001 113.515 -174.021 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' PHE . . . . . 0.518 ' N ' ' CD1' ' A' ' 41' ' ' PHE . 0.2 OUTLIER -139.48 143.43 37.5 Favored 'General case' 0 CA--C 1.458 -2.565 0 C-N-CA 116.076 -2.25 . . . . 25.420000000000002 112.96 -175.084 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 mt -98.99 154.85 17.77 Favored 'General case' 0 N--CA 1.408 -2.534 1 CA-C-N 107.857 -4.247 . . . . 24.059999999999999 107.78 179.776 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -133.0 121.1 22.26 Favored 'General case' 0 N--CA 1.444 -0.732 0 O-C-N 125.863 1.977 . . . . 35.869999999999997 108.583 175.05 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mm -99.88 144.21 12.61 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.073 0 C-N-CA 117.854 -1.538 . . . . 48.159999999999997 111.624 -177.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ASN . . . . . 0.492 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.5 OUTLIER -114.89 162.43 16.93 Favored 'General case' 0 N--CA 1.433 -1.293 0 C-N-CA 117.74 -1.584 . . . . 83.719999999999999 107.821 -179.856 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -27.84 -71.75 0.04 OUTLIER 'General case' 0 N--CA 1.444 -0.751 0 O-C-N 126.685 2.49 . . . . 58.43 108.899 178.138 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.4 p30 -52.87 -26.98 16.42 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 115.417 1.636 . . . . 75.230000000000004 115.417 -179.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 105.99 11.85 27.15 Favored Glycine 0 CA--C 1.522 0.529 0 C-N-CA 117.418 -2.325 . . . . 55.340000000000003 111.995 179.237 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.6 p -73.04 155.13 40.1 Favored 'General case' 0 N--CA 1.436 -1.168 0 N-CA-C 105.839 -1.912 . . . . 65.170000000000002 105.839 176.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' VAL . . . . . 0.479 ' CG1' ' N ' ' A' ' 51' ' ' TYR . 32.0 t -124.56 151.88 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 114.326 -2.95 . . . . 40.140000000000001 116.772 -179.648 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' TYR . . . . . 0.479 ' N ' ' CG1' ' A' ' 50' ' ' VAL . 31.2 t80 -134.46 138.41 44.72 Favored 'General case' 0 N--CA 1.41 -2.45 0 C-N-CA 114.689 -2.804 . . . . 45.030000000000001 108.996 177.556 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -131.61 132.83 44.37 Favored 'General case' 0 N--CA 1.409 -2.481 0 C-N-CA 113.712 -3.195 . . . . 17.780000000000001 113.365 -178.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -121.07 159.32 25.97 Favored 'General case' 0 N--CA 1.425 -1.7 0 N-CA-C 105.405 -2.072 . . . . 67.310000000000002 105.405 174.002 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -122.59 146.19 47.67 Favored 'General case' 0 C--O 1.242 0.69 0 O-C-N 125.774 1.922 . . . . 32.090000000000003 111.845 177.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 49.7 t -110.29 131.88 60.14 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.736 0 CA-C-N 114.467 -1.242 . . . . 27.890000000000001 111.101 179.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.308 0.6 OUTLIER -143.96 150.86 50.98 Favored Pre-proline 0 N--CA 1.429 -1.52 0 C-N-CA 118.529 -1.269 . . . . 100.0 109.814 -175.529 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -77.65 142.7 20.72 Favored 'Trans proline' 0 N--CA 1.446 -1.318 0 C-N-CA 122.468 2.112 . . . . 33.840000000000003 111.597 178.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' PHE . . . . . 0.412 ' CD1' ' CA ' ' A' ' 59' ' ' PRO . 51.4 t80 -106.52 132.76 20.64 Favored Pre-proline 0 N--CA 1.4 -2.951 0 C-N-CA 115.009 -2.676 . . . . 33.810000000000002 107.312 177.106 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' PRO . . . . . 0.412 ' CA ' ' CD1' ' A' ' 58' ' ' PHE 0.344 74.0 Cg_endo -90.9 153.42 23.73 Favored 'Cis proline' 0 C--N 1.304 -1.789 0 CA-C-N 118.939 0.657 . . . . 40.909999999999997 113.196 2.597 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -46.3 -37.29 7.18 Favored 'General case' 0 C--O 1.243 0.742 0 N-CA-C 117.452 2.39 . . . . 55.0 117.452 -179.505 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ASN . . . . . 0.545 ' N ' ' ND2' ' A' ' 61' ' ' ASN 0.259 0.5 OUTLIER . . . . . 0 N--CA 1.445 -0.693 0 CA-C-N 115.622 -0.717 . . . . 100.0 111.703 -176.565 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 400' ' ' SO4 . . . . . 0.534 ' O4 ' ' OE1' ' A' ' 3' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' U' U ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' U' U ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' R' R ' 1' ' ' ' DA' . . . . . 0.835 ' N3 ' " H2'" ' R' ' 1' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.494 -2.096 2 O4'-C1'-N19 116.572 10.965 . . . . 57.68 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' R' R ' 2' ' ' ' DC' . . . . . 0.903 ' N4 ' ' O6 ' ' U' ' 2' ' ' ' DG' . . . . . . . . 3 O5'--C5' 1.365 -4.715 1 P-O5'-C5' 108.173 -7.954 . . . . 59.159999999999997 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' R' R ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.382 -3.798 1 P-O3'-C3' 112.187 -6.26 . . . . 46.990000000000002 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 4' ' ' ' DA' . . . . . 0.66 ' OP2' ' ND2' ' A' ' 31' ' ' ASN . . . . . . . . 1 O3'--C3' 1.355 -5.814 1 O4'-C1'-N19 101.951 -7.311 . . . . 54.659999999999997 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' R' R ' 5' ' ' ' DT' . . . . . 0.589 " O5'" H2'' ' R' ' 4' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.124 0 O5'-C5'-C4' 114.165 2.832 . . . . 67.819999999999993 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 6' ' ' ' DC' . . . . . 0.586 ' N4 ' ' O6 ' ' R' ' 16' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.479 3.677 4 O5'-C5'-C4' 103.144 -5.04 . . . . 77.950000000000003 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' R' R ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.057 1 O4'-C1'-N19 112.596 5.995 . . . . 82.230000000000004 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.471 2.287 2 P-O3'-C3' 129.781 8.401 . . . . 80.420000000000002 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 9' ' ' ' DC' . . . . . 0.639 H2'' ' OP2' ' U' ' 10' ' ' ' DC' . . . . . . . . 0 P--O5' 1.607 1.438 0 O4'-C1'-C2' 109.024 2.659 . . . . 81.769999999999996 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 10' ' ' ' DG' . . . . . 0.637 ' OP2' H2'' ' R' ' 9' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.54 3.566 1 P-O3'-C3' 125.441 4.785 . . . . 81.780000000000001 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' R' R ' 11' ' ' ' DC' . . . . . 0.924 H2'' ' C5 ' ' U' ' 12' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.407 -1.85 0 O4'-C1'-C2' 102.962 -2.852 . . . . 71.920000000000002 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 12' ' ' ' DG' . . . . . 0.933 ' O6 ' ' N4 ' ' U' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.398 -2.624 0 C4'-C3'-C2' 106.162 2.962 . . . . 62.299999999999997 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 13' ' ' ' DG' . . . . . 0.679 " O5'" H2'' ' U' ' 12' ' ' ' DC' . . . . . . . . 1 O3'--C3' 1.329 -7.838 1 P-O5'-C5' 114.339 -4.101 . . . . 54.969999999999999 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' R' R ' 14' ' ' ' DG' . . . . . 0.62 ' H8 ' H2'' ' U' ' 13' ' ' ' DG' . . . . . . . . 1 P--O3' 1.545 -5.15 1 P-O3'-C3' 110.887 -7.344 . . . . 57.350000000000001 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' R' R ' 15' ' ' ' DT' . . . . . 0.4 H2'' " O4'" ' R' ' 16' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.398 -2.564 1 O4'-C1'-N19 112.842 6.303 . . . . 55.659999999999997 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' R' R ' 16' ' ' ' DG' . . . . . 1.135 H2'' " H5'" ' U' ' 17' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.542 2.39 0 C4'-C3'-C2' 106.577 3.377 . . . . 68.799999999999997 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 17' ' ' ' DA' . . . . . 1.133 " H5'" H2'' ' R' ' 16' ' ' ' DG' . . . . . . . . 0 P--O5' 1.626 3.324 3 N19-C1'-C2' 103.266 -6.834 . . . . 74.340000000000003 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' R' R ' 18' ' ' ' DT' . . . . . 0.602 H2'' ' OP2' ' U' ' 19' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.091 3 O4'-C1'-N19 116.444 10.805 . . . . 76.25 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' R' R ' 19' ' ' ' DA' . . . . . 0.795 H2'' " H3'" ' U' ' 20' ' ' ' DG' . . . . . . . . 0 P--O3' 1.653 3.813 0 P-O3'-C3' 124.224 3.77 . . . . 87.319999999999993 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' R' R ' 20' ' ' ' DC' . . . . . 0.794 " H3'" H2'' ' R' ' 19' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.48 3.114 4 P-O3'-C3' 128.277 7.147 . . . . 91.340000000000003 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' U' U ' 1' ' ' ' DT' . . . . . 0.764 ' C4 ' ' C6 ' ' R' ' 1' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.494 -2.096 2 O4'-C1'-N19 98.389 -11.764 . . . . 54.57 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' U' U ' 2' ' ' ' DG' . . . . . 0.903 ' O6 ' ' N4 ' ' R' ' 2' ' ' ' DC' . . . . . . . . 3 O5'--C5' 1.365 -4.715 1 P-O5'-C5' 108.173 -7.954 . . . . 59.159999999999997 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' U' U ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.382 -3.798 1 P-O3'-C3' 112.187 -6.26 . . . . 46.990000000000002 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' U' U ' 4' ' ' ' DA' . . . . . 0.659 ' OP2' ' ND2' ' A' ' 31' ' ' ASN . . . . . . . . 1 O3'--C3' 1.355 -5.814 1 O4'-C1'-N19 101.951 -7.311 . . . . 54.659999999999997 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' U' U ' 5' ' ' ' DT' . . . . . 0.587 " O5'" H2'' ' U' ' 4' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.124 0 O5'-C5'-C4' 114.165 2.832 . . . . 67.819999999999993 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' U' U ' 6' ' ' ' DC' . . . . . 0.518 " H5'" " C2'" ' R' ' 5' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.479 3.677 4 O5'-C5'-C4' 103.144 -5.04 . . . . 77.950000000000003 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' U' U ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.057 1 O4'-C1'-N19 112.596 5.995 . . . . 82.230000000000004 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' U' U ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.46 2.259 2 P-O3'-C3' 129.781 8.401 . . . . 80.420000000000002 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' U' U ' 9' ' ' ' DC' . . . . . 0.638 H2'' ' OP2' ' U' ' 10' ' ' ' DC' . . . . . . . . 0 P--O5' 1.607 1.438 0 O4'-C1'-C2' 109.065 2.695 . . . . 81.769999999999996 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' U' U ' 10' ' ' ' DC' . . . . . 0.639 ' OP2' H2'' ' R' ' 9' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.54 3.566 1 P-O3'-C3' 125.48 4.817 . . . . 81.780000000000001 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' U' U ' 11' ' ' ' DG' . . . . . 0.925 H2'' ' C5 ' ' U' ' 12' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.406 -1.919 0 O4'-C1'-C2' 102.967 -2.848 . . . . 71.920000000000002 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' U' U ' 12' ' ' ' DC' . . . . . 0.933 ' N4 ' ' O6 ' ' R' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.399 -2.57 0 C4'-C3'-C2' 106.162 2.962 . . . . 62.299999999999997 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' U' U ' 13' ' ' ' DG' . . . . . 0.679 " O5'" H2'' ' U' ' 12' ' ' ' DC' . . . . . . . . 1 O3'--C3' 1.329 -7.83 1 P-O5'-C5' 114.339 -4.101 . . . . 54.969999999999999 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' U' U ' 14' ' ' ' DG' . . . . . 0.621 ' H8 ' H2'' ' U' ' 13' ' ' ' DG' . . . . . . . . 1 P--O3' 1.545 -5.15 1 P-O3'-C3' 110.919 -7.318 . . . . 57.350000000000001 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' U' U ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.398 -2.564 1 O4'-C1'-N19 112.861 6.326 . . . . 55.659999999999997 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' U' U ' 16' ' ' ' DG' . . . . . 1.135 H2'' " H5'" ' U' ' 17' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.542 2.39 0 C4'-C3'-C2' 106.577 3.377 . . . . 68.799999999999997 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' U' U ' 17' ' ' ' DA' . . . . . 1.135 " H5'" H2'' ' R' ' 16' ' ' ' DG' . . . . . . . . 0 P--O5' 1.626 3.324 3 N19-C1'-C2' 103.266 -6.834 . . . . 74.340000000000003 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' U' U ' 18' ' ' ' DT' . . . . . 0.598 H2'' ' OP2' ' U' ' 19' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.091 3 O4'-C1'-N19 116.444 10.805 . . . . 76.25 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' U' U ' 19' ' ' ' DA' . . . . . 0.793 H2'' " H3'" ' U' ' 20' ' ' ' DG' . . . . . . . . 0 P--O3' 1.653 3.813 0 P-O3'-C3' 124.25 3.792 . . . . 87.319999999999993 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' U' U ' 20' ' ' ' DG' . . . . . 0.795 " H3'" H2'' ' R' ' 19' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.48 3.114 4 P-O3'-C3' 128.277 7.147 . . . . 91.340000000000003 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLU . . . . . 0.44 ' HA ' ' HA ' ' A' ' 3' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--O 1.248 0.974 0 CA-C-O 119.877 -0.106 . . . . 100.0 111.284 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLN . . . . . 0.681 ' NE2' ' O4 ' ' A' ' 400' ' ' SO4 . 0.7 OUTLIER -87.07 146.09 26.22 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 109.014 -0.736 . . . . 100.0 109.014 -2.993 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -100.92 124.8 47.16 Favored 'General case' 0 N--CA 1.439 -0.991 0 N-CA-C 104.772 -2.307 . . . . 60.549999999999997 104.772 175.59 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ILE . . . . . 0.759 HD11 ' HB3' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -146.56 154.99 12.06 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.37 0 C-N-CA 117.104 -1.838 . . . . 40.649999999999999 110.274 -179.366 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 6' ' ' THR . . . . . 0.967 HG22 ' H ' ' A' ' 9' ' ' ASP 0.254 0.9 OUTLIER -71.49 147.91 47.3 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 112.783 -2.008 . . . . 23.530000000000001 115.2 -177.508 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 49.9 tp -57.98 -58.4 8.57 Favored 'General case' 0 N--CA 1.435 -1.199 0 C-N-CA 114.828 -2.749 . . . . 18.699999999999999 112.868 176.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.6 -52.2 10.96 Favored 'General case' 0 N--CA 1.434 -1.255 0 CA-C-O 123.643 1.687 . . . . 75.140000000000001 109.612 -178.04 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ASP . . . . . 0.967 ' H ' HG22 ' A' ' 6' ' ' THR 0.252 3.5 t0 -50.41 -57.38 8.12 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 111.466 -2.606 . . . . 52.380000000000003 111.184 178.779 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 10' ' ' TYR . . . . . 0.403 ' CD2' HD12 ' A' ' 42' ' ' LEU . 29.8 t80 -57.59 -42.52 83.32 Favored 'General case' 0 N--CA 1.414 -2.269 0 CA-C-N 111.359 -2.655 . . . . 14.09 106.21 -177.158 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.72 -40.85 98.45 Favored 'General case' 0 C--N 1.303 -1.434 0 C-N-CA 117.515 -1.674 . . . . 21.350000000000001 111.829 179.751 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -37.28 86.23 Favored 'General case' 0 N--CA 1.42 -1.968 0 C-N-CA 113.558 -3.257 . . . . 40.0 109.013 179.164 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ARG . . . . . 0.428 ' NH2' ' O1 ' ' A' ' 400' ' ' SO4 . 16.8 mmt85 -66.69 -51.03 60.65 Favored 'General case' 0 CA--C 1.497 -1.068 0 C-N-CA 116.322 -2.151 . . . . 42.729999999999997 111.171 -178.102 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -88.86 -21.31 23.75 Favored 'General case' 0 CA--C 1.494 -1.18 0 N-CA-C 120.648 3.573 . . . . 33.490000000000002 120.648 -173.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.03 128.86 6.18 Favored Glycine 0 CA--C 1.503 -0.658 0 C-N-CA 116.527 -2.749 . . . . 29.510000000000002 107.221 -177.519 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLN . . . . . 0.538 ' O ' ' HB ' ' A' ' 19' ' ' THR 0.409 77.5 mt-30 -42.11 -45.91 4.13 Favored 'General case' 0 C--O 1.251 1.14 0 CA-C-O 125.143 2.401 . . . . 41.409999999999997 116.848 -173.161 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 17' ' ' THR . . . . . 0.467 HG23 ' HG3' ' A' ' 27' ' ' GLN 0.253 0.0 OUTLIER -57.66 -57.0 14.64 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 118.197 2.666 . . . . 43.609999999999999 118.197 -177.545 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.2 tttm -55.15 -52.16 64.19 Favored 'General case' 0 CA--C 1.492 -1.259 0 N-CA-C 107.817 -1.179 . . . . 68.400000000000006 107.817 -179.665 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' THR . . . . . 0.686 ' O ' ' N ' ' A' ' 22' ' ' ASP 0.278 7.8 m -45.0 -71.72 0.07 Allowed 'General case' 0 CA--C 1.492 -1.255 0 O-C-N 125.975 2.047 . . . . 32.740000000000002 107.038 -179.735 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ALA . . . . . 0.733 ' HB2' HG13 ' A' ' 30' ' ' ILE . . . -38.85 -54.56 1.61 Allowed 'General case' 0 N--CA 1.435 -1.219 0 CA-C-N 110.008 -3.269 . . . . 22.609999999999999 108.302 179.591 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . 0.494 ' C ' ' O ' ' A' ' 20' ' ' ALA . 10.0 ttpt -54.28 -52.11 62.46 Favored 'General case' 0 N--CA 1.414 -2.227 0 C-N-CA 114.477 -2.889 . . . . 100.0 108.294 176.426 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ASP . . . . . 0.686 ' N ' ' O ' ' A' ' 19' ' ' THR 0.302 6.5 m-20 -52.69 -32.38 42.27 Favored 'General case' 0 N--CA 1.438 -1.072 0 C-N-CA 114.275 -2.97 . . . . 39.75 113.302 -177.59 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . 0.362 0.3 OUTLIER -89.93 4.52 49.76 Favored 'General case' 0 C--N 1.31 -1.116 1 C-N-CA 110.338 -4.545 . . . . 34.719999999999999 113.878 179.996 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.56 61.52 6.17 Favored Glycine 0 N--CA 1.432 -1.592 0 C-N-CA 115.808 -3.091 . . . . 40.030000000000001 109.191 179.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.1 p -164.61 158.91 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 CA-C-N 112.42 -1.89 . . . . 45.380000000000003 107.17 179.047 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' TYR . . . . . 0.48 ' CD2' ' H8 ' ' U' ' 16' ' ' ' DG' . 1.4 m-85 -75.01 132.48 41.37 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 115.206 1.558 . . . . 65.920000000000002 115.206 -177.497 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLN . . . . . 0.467 ' HG3' HG23 ' A' ' 17' ' ' THR . 1.2 tm0? -33.03 -51.5 0.31 Allowed 'General case' 0 C--O 1.242 0.664 0 C-N-CA 127.388 2.275 . . . . 77.5 114.146 176.633 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.9 -37.17 42.18 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 115.393 -0.821 . . . . 49.670000000000002 110.146 178.64 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ALA . . . . . 0.679 ' O ' ' C ' ' A' ' 30' ' ' ILE . . . -52.4 -68.58 0.16 Allowed 'General case' 0 C--O 1.249 1.057 0 CA-C-O 124.08 1.895 . . . . 31.170000000000002 106.713 177.137 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ILE . . . . . 0.733 HG13 ' HB2' ' A' ' 20' ' ' ALA . 31.6 mm -34.39 -73.86 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.42 -1.974 0 CA-C-N 111.8 -2.455 . . . . 35.100000000000001 108.692 178.83 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ASN . . . . . 0.66 ' ND2' ' OP2' ' R' ' 4' ' ' ' DA' . 15.9 t-20 -31.44 -63.1 0.17 Allowed 'General case' 0 N--CA 1.43 -1.455 0 CA-C-N 112.014 -2.357 . . . . 39.009999999999998 113.429 -177.603 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 35.4 tttt -46.39 -58.7 3.49 Favored 'General case' 0 N--CA 1.44 -0.953 0 CA-C-N 112.764 -2.017 . . . . 100.0 110.329 -178.385 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ALA . . . . . 0.639 ' O ' ' HB3' ' A' ' 36' ' ' ALA . . . -46.44 -42.16 14.89 Favored 'General case' 0 CA--C 1.49 -1.345 0 CA-C-N 110.484 -3.053 . . . . 29.059999999999999 111.178 -178.523 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -75.22 -54.32 14.36 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.03 0 CA-C-N 113.697 -1.592 . . . . 41.640000000000001 109.55 -176.762 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 28.6 m80 -58.74 -31.48 68.35 Favored 'General case' 0 N--CA 1.42 -1.932 0 C-N-CA 115.193 -2.603 . . . . 57.560000000000002 109.789 -177.468 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 33' ' ' ALA . . . -52.59 -33.74 47.52 Favored 'General case' 0 N--CA 1.439 -1.02 0 O-C-N 127.195 2.81 . . . . 43.659999999999997 112.811 178.192 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.6 27.69 46.21 Favored Glycine 0 N--CA 1.439 -1.134 0 C-N-CA 118.948 -1.596 . . . . 39.090000000000003 110.401 -178.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ARG . . . . . 0.635 ' HB3' HD11 ' A' ' 40' ' ' ILE . 7.3 mtp180 -72.19 142.11 49.04 Favored 'General case' 0 C--O 1.208 -1.081 0 CA-C-O 117.853 -1.07 . . . . 39.009999999999998 108.635 178.953 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LYS . . . . . 0.58 ' C ' HG12 ' A' ' 40' ' ' ILE . 10.0 mttt -88.66 107.84 19.14 Favored 'General case' 0 C--O 1.21 -0.979 0 CA-C-N 120.134 1.334 . . . . 83.739999999999995 108.324 179.367 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ILE . . . . . 0.635 HD11 ' HB3' ' A' ' 38' ' ' ARG 0.305 0.2 OUTLIER -143.3 148.23 19.48 Favored 'Isoleucine or valine' 0 CA--C 1.474 -1.963 0 C-N-CA 118.002 -1.479 . . . . 27.780000000000001 113.515 -174.021 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 41' ' ' PHE . . . . . 0.518 ' N ' ' CD1' ' A' ' 41' ' ' PHE . 0.2 OUTLIER -139.48 143.43 37.5 Favored 'General case' 0 CA--C 1.458 -2.565 0 C-N-CA 116.076 -2.25 . . . . 25.420000000000002 112.96 -175.084 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 42' ' ' LEU . . . . . 0.593 HD13 HG11 ' A' ' 50' ' ' VAL . 2.3 mt -98.99 154.85 17.77 Favored 'General case' 0 N--CA 1.408 -2.534 1 CA-C-N 107.857 -4.247 . . . . 24.059999999999999 107.78 179.776 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -133.0 121.1 22.26 Favored 'General case' 0 N--CA 1.444 -0.732 0 O-C-N 125.863 1.977 . . . . 35.869999999999997 108.583 175.05 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mm -99.88 144.21 12.61 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.073 0 C-N-CA 117.854 -1.538 . . . . 48.159999999999997 111.624 -177.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.5 OUTLIER -114.89 162.43 16.93 Favored 'General case' 0 N--CA 1.433 -1.293 0 C-N-CA 117.74 -1.584 . . . . 83.719999999999999 107.821 -179.856 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -27.84 -71.75 0.04 OUTLIER 'General case' 0 N--CA 1.444 -0.751 0 O-C-N 126.685 2.49 . . . . 58.43 108.899 178.138 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.4 p30 -52.87 -26.98 16.42 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 115.417 1.636 . . . . 75.230000000000004 115.417 -179.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 105.99 11.85 27.15 Favored Glycine 0 CA--C 1.522 0.529 0 C-N-CA 117.418 -2.325 . . . . 55.340000000000003 111.995 179.237 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.6 p -73.04 155.13 40.1 Favored 'General case' 0 N--CA 1.436 -1.168 0 N-CA-C 105.839 -1.912 . . . . 65.170000000000002 105.839 176.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' VAL . . . . . 0.593 HG11 HD13 ' A' ' 42' ' ' LEU . 32.0 t -124.56 151.88 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 114.326 -2.95 . . . . 40.140000000000001 116.772 -179.648 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' TYR . . . . . 0.581 ' N ' HG12 ' A' ' 50' ' ' VAL . 31.2 t80 -134.46 138.41 44.72 Favored 'General case' 0 N--CA 1.41 -2.45 0 C-N-CA 114.689 -2.804 . . . . 45.030000000000001 108.996 177.556 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -131.61 132.83 44.37 Favored 'General case' 0 N--CA 1.409 -2.481 0 C-N-CA 113.712 -3.195 . . . . 17.780000000000001 113.365 -178.177 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -121.07 159.32 25.97 Favored 'General case' 0 N--CA 1.425 -1.7 0 N-CA-C 105.405 -2.072 . . . . 67.310000000000002 105.405 174.002 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLU . . . . . 0.565 ' OE2' ' HG2' ' A' ' 38' ' ' ARG . 21.5 tt0 -122.59 146.19 47.67 Favored 'General case' 0 C--O 1.242 0.69 0 O-C-N 125.774 1.922 . . . . 32.090000000000003 111.845 177.733 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 49.7 t -110.29 131.88 60.14 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.736 0 CA-C-N 114.467 -1.242 . . . . 27.890000000000001 111.101 179.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.308 0.6 OUTLIER -143.96 150.86 50.98 Favored Pre-proline 0 N--CA 1.429 -1.52 0 C-N-CA 118.529 -1.269 . . . . 100.0 109.814 -175.529 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -77.65 142.7 20.72 Favored 'Trans proline' 0 N--CA 1.446 -1.318 0 C-N-CA 122.468 2.112 . . . . 33.840000000000003 111.597 178.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' PHE . . . . . 0.866 ' CD1' ' HA ' ' A' ' 59' ' ' PRO . 51.4 t80 -106.52 132.76 20.64 Favored Pre-proline 0 N--CA 1.4 -2.951 0 C-N-CA 115.009 -2.676 . . . . 33.810000000000002 107.312 177.106 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' PRO . . . . . 0.866 ' HA ' ' CD1' ' A' ' 58' ' ' PHE 0.344 74.0 Cg_endo -90.9 153.42 23.73 Favored 'Cis proline' 0 C--N 1.304 -1.789 0 CA-C-N 118.939 0.657 . . . . 40.909999999999997 113.196 2.597 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -46.3 -37.29 7.18 Favored 'General case' 0 C--O 1.243 0.742 0 N-CA-C 117.452 2.39 . . . . 55.0 117.452 -179.505 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' A' ' 61' ' ' ASN 0.259 2.2 m-20 . . . . . 0 N--CA 1.445 -0.693 0 CA-C-N 115.622 -0.717 . . . . 100.0 111.703 -176.565 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 400' ' ' SO4 . . . . . 0.681 ' O4 ' ' NE2' ' A' ' 3' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' U' U ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' U' U ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' R' R ' 1' ' ' ' DA' . . . . . 0.835 ' N3 ' " H2'" ' R' ' 1' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.494 -2.096 2 O4'-C1'-N19 116.572 10.965 . . . . 57.68 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' R' R ' 2' ' ' ' DC' . . . . . 0.903 ' N4 ' ' O6 ' ' U' ' 2' ' ' ' DG' . . . . . . . . 3 O5'--C5' 1.365 -4.715 1 P-O5'-C5' 108.173 -7.954 . . . . 59.159999999999997 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' R' R ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.382 -3.798 1 P-O3'-C3' 112.187 -6.26 . . . . 46.990000000000002 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 4' ' ' ' DA' . . . . . 0.66 ' OP2' ' ND2' ' A' ' 31' ' ' ASN . . . . . . . . 1 O3'--C3' 1.355 -5.814 1 O4'-C1'-N19 101.951 -7.311 . . . . 54.659999999999997 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' R' R ' 5' ' ' ' DT' . . . . . 0.589 " O5'" H2'' ' R' ' 4' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.124 0 O5'-C5'-C4' 114.165 2.832 . . . . 67.819999999999993 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 6' ' ' ' DC' . . . . . 0.586 ' N4 ' ' O6 ' ' R' ' 16' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.479 3.677 4 O5'-C5'-C4' 103.144 -5.04 . . . . 77.950000000000003 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' R' R ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.057 1 O4'-C1'-N19 112.596 5.995 . . . . 82.230000000000004 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.471 2.287 2 P-O3'-C3' 129.781 8.401 . . . . 80.420000000000002 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 9' ' ' ' DC' . . . . . 0.639 H2'' ' OP2' ' U' ' 10' ' ' ' DC' . . . . . . . . 0 P--O5' 1.607 1.438 0 O4'-C1'-C2' 109.024 2.659 . . . . 81.769999999999996 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 10' ' ' ' DG' . . . . . 0.637 ' OP2' H2'' ' R' ' 9' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.54 3.566 1 P-O3'-C3' 125.441 4.785 . . . . 81.780000000000001 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' R' R ' 11' ' ' ' DC' . . . . . 0.924 H2'' ' C5 ' ' U' ' 12' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.407 -1.85 0 O4'-C1'-C2' 102.962 -2.852 . . . . 71.920000000000002 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 12' ' ' ' DG' . . . . . 0.933 ' O6 ' ' N4 ' ' U' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.398 -2.624 0 C4'-C3'-C2' 106.162 2.962 . . . . 62.299999999999997 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 13' ' ' ' DG' . . . . . 0.679 " O5'" H2'' ' U' ' 12' ' ' ' DC' . . . . . . . . 1 O3'--C3' 1.329 -7.838 1 P-O5'-C5' 114.339 -4.101 . . . . 54.969999999999999 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' R' R ' 14' ' ' ' DG' . . . . . 0.62 ' H8 ' H2'' ' U' ' 13' ' ' ' DG' . . . . . . . . 1 P--O3' 1.545 -5.15 1 P-O3'-C3' 110.887 -7.344 . . . . 57.350000000000001 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' R' R ' 15' ' ' ' DT' . . . . . 0.4 H2'' " O4'" ' R' ' 16' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.398 -2.564 1 O4'-C1'-N19 112.842 6.303 . . . . 55.659999999999997 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' R' R ' 16' ' ' ' DG' . . . . . 1.135 H2'' " H5'" ' U' ' 17' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.542 2.39 0 C4'-C3'-C2' 106.577 3.377 . . . . 68.799999999999997 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 17' ' ' ' DA' . . . . . 1.133 " H5'" H2'' ' R' ' 16' ' ' ' DG' . . . . . . . . 0 P--O5' 1.626 3.324 3 N19-C1'-C2' 103.266 -6.834 . . . . 74.340000000000003 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' R' R ' 18' ' ' ' DT' . . . . . 0.602 H2'' ' OP2' ' U' ' 19' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.091 3 O4'-C1'-N19 116.444 10.805 . . . . 76.25 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' R' R ' 19' ' ' ' DA' . . . . . 0.795 H2'' " H3'" ' U' ' 20' ' ' ' DG' . . . . . . . . 0 P--O3' 1.653 3.813 0 P-O3'-C3' 124.224 3.77 . . . . 87.319999999999993 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' R' R ' 20' ' ' ' DC' . . . . . 0.794 " H3'" H2'' ' R' ' 19' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.48 3.114 4 P-O3'-C3' 128.277 7.147 . . . . 91.340000000000003 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' U' U ' 1' ' ' ' DT' . . . . . 0.764 ' C4 ' ' C6 ' ' R' ' 1' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.494 -2.096 2 O4'-C1'-N19 98.389 -11.764 . . . . 54.57 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' U' U ' 2' ' ' ' DG' . . . . . 0.903 ' O6 ' ' N4 ' ' R' ' 2' ' ' ' DC' . . . . . . . . 3 O5'--C5' 1.365 -4.715 1 P-O5'-C5' 108.173 -7.954 . . . . 59.159999999999997 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' U' U ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.382 -3.798 1 P-O3'-C3' 112.187 -6.26 . . . . 46.990000000000002 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' U' U ' 4' ' ' ' DA' . . . . . 0.659 ' OP2' ' ND2' ' A' ' 31' ' ' ASN . . . . . . . . 1 O3'--C3' 1.355 -5.814 1 O4'-C1'-N19 101.951 -7.311 . . . . 54.659999999999997 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' U' U ' 5' ' ' ' DT' . . . . . 0.587 " O5'" H2'' ' U' ' 4' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.124 0 O5'-C5'-C4' 114.165 2.832 . . . . 67.819999999999993 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' U' U ' 6' ' ' ' DC' . . . . . 0.518 " H5'" " C2'" ' R' ' 5' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.479 3.677 4 O5'-C5'-C4' 103.144 -5.04 . . . . 77.950000000000003 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' U' U ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.057 1 O4'-C1'-N19 112.596 5.995 . . . . 82.230000000000004 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' U' U ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.46 2.259 2 P-O3'-C3' 129.781 8.401 . . . . 80.420000000000002 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' U' U ' 9' ' ' ' DC' . . . . . 0.638 H2'' ' OP2' ' U' ' 10' ' ' ' DC' . . . . . . . . 0 P--O5' 1.607 1.438 0 O4'-C1'-C2' 109.065 2.695 . . . . 81.769999999999996 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' U' U ' 10' ' ' ' DC' . . . . . 0.639 ' OP2' H2'' ' R' ' 9' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.54 3.566 1 P-O3'-C3' 125.48 4.817 . . . . 81.780000000000001 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' U' U ' 11' ' ' ' DG' . . . . . 0.925 H2'' ' C5 ' ' U' ' 12' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.406 -1.919 0 O4'-C1'-C2' 102.967 -2.848 . . . . 71.920000000000002 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' U' U ' 12' ' ' ' DC' . . . . . 0.933 ' N4 ' ' O6 ' ' R' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.399 -2.57 0 C4'-C3'-C2' 106.162 2.962 . . . . 62.299999999999997 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' U' U ' 13' ' ' ' DG' . . . . . 0.679 " O5'" H2'' ' U' ' 12' ' ' ' DC' . . . . . . . . 1 O3'--C3' 1.329 -7.83 1 P-O5'-C5' 114.339 -4.101 . . . . 54.969999999999999 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' U' U ' 14' ' ' ' DG' . . . . . 0.621 ' H8 ' H2'' ' U' ' 13' ' ' ' DG' . . . . . . . . 1 P--O3' 1.545 -5.15 1 P-O3'-C3' 110.919 -7.318 . . . . 57.350000000000001 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' U' U ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.398 -2.564 1 O4'-C1'-N19 112.861 6.326 . . . . 55.659999999999997 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' U' U ' 16' ' ' ' DG' . . . . . 1.135 H2'' " H5'" ' U' ' 17' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.542 2.39 0 C4'-C3'-C2' 106.577 3.377 . . . . 68.799999999999997 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' U' U ' 17' ' ' ' DA' . . . . . 1.135 " H5'" H2'' ' R' ' 16' ' ' ' DG' . . . . . . . . 0 P--O5' 1.626 3.324 3 N19-C1'-C2' 103.266 -6.834 . . . . 74.340000000000003 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' U' U ' 18' ' ' ' DT' . . . . . 0.598 H2'' ' OP2' ' U' ' 19' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.091 3 O4'-C1'-N19 116.444 10.805 . . . . 76.25 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' U' U ' 19' ' ' ' DA' . . . . . 0.793 H2'' " H3'" ' U' ' 20' ' ' ' DG' . . . . . . . . 0 P--O3' 1.653 3.813 0 P-O3'-C3' 124.25 3.792 . . . . 87.319999999999993 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' U' U ' 20' ' ' ' DG' . . . . . 0.795 " H3'" H2'' ' R' ' 19' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.48 3.114 4 P-O3'-C3' 128.277 7.147 . . . . 91.340000000000003 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.44 ' HA ' ' HA ' ' A' ' 3' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--O 1.248 0.974 0 CA-C-O 119.877 -0.106 . . . . 100.0 111.284 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.534 ' OE1' ' O4 ' ' A' ' 400' ' ' SO4 . 7.7 mt-30 -87.07 146.09 26.22 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 109.014 -0.736 . . . . 100.0 109.014 -2.993 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -100.92 124.8 47.16 Favored 'General case' 0 N--CA 1.439 -0.991 0 N-CA-C 104.772 -2.307 . . . . 60.549999999999997 104.772 175.59 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.759 HD11 ' HB3' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -146.56 154.99 12.06 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.37 0 C-N-CA 117.104 -1.838 . . . . 40.649999999999999 110.274 -179.366 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' THR . . . . . 0.967 HG22 ' H ' ' A' ' 9' ' ' ASP 0.254 0.9 OUTLIER -71.49 147.91 47.3 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 112.783 -2.008 . . . . 23.530000000000001 115.2 -177.508 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 49.9 tp -57.98 -58.4 8.57 Favored 'General case' 0 N--CA 1.435 -1.199 0 C-N-CA 114.828 -2.749 . . . . 18.699999999999999 112.868 176.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.6 -52.2 10.96 Favored 'General case' 0 N--CA 1.434 -1.255 0 CA-C-O 123.643 1.687 . . . . 75.140000000000001 109.612 -178.04 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.967 ' H ' HG22 ' A' ' 6' ' ' THR 0.252 3.5 t0 -50.41 -57.38 8.12 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 111.466 -2.606 . . . . 52.380000000000003 111.184 178.779 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.403 ' CD2' HD12 ' A' ' 42' ' ' LEU . 29.8 t80 -57.59 -42.52 83.32 Favored 'General case' 0 N--CA 1.414 -2.269 0 CA-C-N 111.359 -2.655 . . . . 14.09 106.21 -177.158 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.72 -40.85 98.45 Favored 'General case' 0 C--N 1.303 -1.434 0 C-N-CA 117.515 -1.674 . . . . 21.350000000000001 111.829 179.751 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -37.28 86.23 Favored 'General case' 0 N--CA 1.42 -1.968 0 C-N-CA 113.558 -3.257 . . . . 40.0 109.013 179.164 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.428 ' NH2' ' O1 ' ' A' ' 400' ' ' SO4 . 16.8 mmt85 -66.69 -51.03 60.65 Favored 'General case' 0 CA--C 1.497 -1.068 0 C-N-CA 116.322 -2.151 . . . . 42.729999999999997 111.171 -178.102 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -88.86 -21.31 23.75 Favored 'General case' 0 CA--C 1.494 -1.18 0 N-CA-C 120.648 3.573 . . . . 33.490000000000002 120.648 -173.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.03 128.86 6.18 Favored Glycine 0 CA--C 1.503 -0.658 0 C-N-CA 116.527 -2.749 . . . . 29.510000000000002 107.221 -177.519 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.538 ' O ' ' HB ' ' A' ' 19' ' ' THR 0.409 77.5 mt-30 -42.11 -45.91 4.13 Favored 'General case' 0 C--O 1.251 1.14 0 CA-C-O 125.143 2.401 . . . . 41.409999999999997 116.848 -173.161 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' THR . . . . . 0.467 HG23 ' HG3' ' A' ' 27' ' ' GLN 0.253 0.0 OUTLIER -57.66 -57.0 14.64 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 118.197 2.666 . . . . 43.609999999999999 118.197 -177.545 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.2 tttm -55.15 -52.16 64.19 Favored 'General case' 0 CA--C 1.492 -1.259 0 N-CA-C 107.817 -1.179 . . . . 68.400000000000006 107.817 -179.665 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' THR . . . . . 0.686 ' O ' ' N ' ' A' ' 22' ' ' ASP 0.278 7.8 m -45.0 -71.72 0.07 Allowed 'General case' 0 CA--C 1.492 -1.255 0 O-C-N 125.975 2.047 . . . . 32.740000000000002 107.038 -179.735 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.733 ' HB2' HG13 ' A' ' 30' ' ' ILE . . . -38.85 -54.56 1.61 Allowed 'General case' 0 N--CA 1.435 -1.219 0 CA-C-N 110.008 -3.269 . . . . 22.609999999999999 108.302 179.591 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.494 ' C ' ' O ' ' A' ' 20' ' ' ALA . 10.0 ttpt -54.28 -52.11 62.46 Favored 'General case' 0 N--CA 1.414 -2.227 0 C-N-CA 114.477 -2.889 . . . . 100.0 108.294 176.426 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.686 ' N ' ' O ' ' A' ' 19' ' ' THR 0.302 6.5 m-20 -52.69 -32.38 42.27 Favored 'General case' 0 N--CA 1.438 -1.072 0 C-N-CA 114.275 -2.97 . . . . 39.75 113.302 -177.59 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . 0.362 0.3 OUTLIER -89.93 4.52 49.76 Favored 'General case' 0 C--N 1.31 -1.116 1 C-N-CA 110.338 -4.545 . . . . 34.719999999999999 113.878 179.996 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.56 61.52 6.17 Favored Glycine 0 N--CA 1.432 -1.592 0 C-N-CA 115.808 -3.091 . . . . 40.030000000000001 109.191 179.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.1 p -164.61 158.91 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 CA-C-N 112.42 -1.89 . . . . 45.380000000000003 107.17 179.047 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.48 ' CD2' ' H8 ' ' U' ' 16' ' ' ' DG' . 1.4 m-85 -75.01 132.48 41.37 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 115.206 1.558 . . . . 65.920000000000002 115.206 -177.497 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.467 ' HG3' HG23 ' A' ' 17' ' ' THR . 1.2 tm0? -33.03 -51.5 0.31 Allowed 'General case' 0 C--O 1.242 0.664 0 C-N-CA 127.388 2.275 . . . . 77.5 114.146 176.633 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.9 -37.17 42.18 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 115.393 -0.821 . . . . 49.670000000000002 110.146 178.64 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.679 ' O ' ' C ' ' A' ' 30' ' ' ILE . . . -52.4 -68.58 0.16 Allowed 'General case' 0 C--O 1.249 1.057 0 CA-C-O 124.08 1.895 . . . . 31.170000000000002 106.713 177.137 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.733 HG13 ' HB2' ' A' ' 20' ' ' ALA . 31.6 mm -34.39 -73.86 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.42 -1.974 0 CA-C-N 111.8 -2.455 . . . . 35.100000000000001 108.692 178.83 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.66 ' ND2' ' OP2' ' R' ' 4' ' ' ' DA' . 15.9 t-20 -31.44 -63.1 0.17 Allowed 'General case' 0 N--CA 1.43 -1.455 0 CA-C-N 112.014 -2.357 . . . . 39.009999999999998 113.429 -177.603 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 35.4 tttt -46.39 -58.7 3.49 Favored 'General case' 0 N--CA 1.44 -0.953 0 CA-C-N 112.764 -2.017 . . . . 100.0 110.329 -178.385 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.639 ' O ' ' HB3' ' A' ' 36' ' ' ALA . . . -46.44 -42.16 14.89 Favored 'General case' 0 CA--C 1.49 -1.345 0 CA-C-N 110.484 -3.053 . . . . 29.059999999999999 111.178 -178.523 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -75.22 -54.32 14.36 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.03 0 CA-C-N 113.697 -1.592 . . . . 41.640000000000001 109.55 -176.762 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 28.6 m80 -58.74 -31.48 68.35 Favored 'General case' 0 N--CA 1.42 -1.932 0 C-N-CA 115.193 -2.603 . . . . 57.560000000000002 109.789 -177.468 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 33' ' ' ALA . . . -52.59 -33.74 47.52 Favored 'General case' 0 N--CA 1.439 -1.02 0 O-C-N 127.195 2.81 . . . . 43.659999999999997 112.811 178.192 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.6 27.69 46.21 Favored Glycine 0 N--CA 1.439 -1.134 0 C-N-CA 118.948 -1.596 . . . . 39.090000000000003 110.401 -178.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.635 ' HB3' HD11 ' A' ' 40' ' ' ILE . 7.3 mtp180 -72.19 142.11 49.04 Favored 'General case' 0 C--O 1.208 -1.081 0 CA-C-O 117.853 -1.07 . . . . 39.009999999999998 108.635 178.953 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.58 ' C ' HG12 ' A' ' 40' ' ' ILE . 10.0 mttt -88.66 107.84 19.14 Favored 'General case' 0 C--O 1.21 -0.979 0 CA-C-N 120.134 1.334 . . . . 83.739999999999995 108.324 179.367 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.635 HD11 ' HB3' ' A' ' 38' ' ' ARG 0.305 0.2 OUTLIER -143.3 148.23 19.48 Favored 'Isoleucine or valine' 0 CA--C 1.474 -1.963 0 C-N-CA 118.002 -1.479 . . . . 27.780000000000001 113.515 -174.021 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.518 ' N ' ' CD1' ' A' ' 41' ' ' PHE . 0.2 OUTLIER -139.48 143.43 37.5 Favored 'General case' 0 CA--C 1.458 -2.565 0 C-N-CA 116.076 -2.25 . . . . 25.420000000000002 112.96 -175.084 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.593 HD13 HG11 ' A' ' 50' ' ' VAL . 2.3 mt -98.99 154.85 17.77 Favored 'General case' 0 N--CA 1.408 -2.534 1 CA-C-N 107.857 -4.247 . . . . 24.059999999999999 107.78 179.776 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -133.0 121.1 22.26 Favored 'General case' 0 N--CA 1.444 -0.732 0 O-C-N 125.863 1.977 . . . . 35.869999999999997 108.583 175.05 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mm -99.88 144.21 12.61 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.073 0 C-N-CA 117.854 -1.538 . . . . 48.159999999999997 111.624 -177.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.5 OUTLIER -114.89 162.43 16.93 Favored 'General case' 0 N--CA 1.433 -1.293 0 C-N-CA 117.74 -1.584 . . . . 83.719999999999999 107.821 -179.856 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 45' ' ' ASN . . . -27.84 -71.75 0.04 OUTLIER 'General case' 0 N--CA 1.444 -0.751 0 O-C-N 126.685 2.49 . . . . 58.43 108.899 178.138 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.4 p30 -52.87 -26.98 16.42 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 115.417 1.636 . . . . 75.230000000000004 115.417 -179.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 45' ' ' ASN . . . 105.99 11.85 27.15 Favored Glycine 0 CA--C 1.522 0.529 0 C-N-CA 117.418 -2.325 . . . . 55.340000000000003 111.995 179.237 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.6 p -73.04 155.13 40.1 Favored 'General case' 0 N--CA 1.436 -1.168 0 N-CA-C 105.839 -1.912 . . . . 65.170000000000002 105.839 176.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.593 HG11 HD13 ' A' ' 42' ' ' LEU . 32.0 t -124.56 151.88 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 114.326 -2.95 . . . . 40.140000000000001 116.772 -179.648 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.581 ' N ' HG12 ' A' ' 50' ' ' VAL . 31.2 t80 -134.46 138.41 44.72 Favored 'General case' 0 N--CA 1.41 -2.45 0 C-N-CA 114.689 -2.804 . . . . 45.030000000000001 108.996 177.556 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -131.61 132.83 44.37 Favored 'General case' 0 N--CA 1.409 -2.481 0 C-N-CA 113.712 -3.195 . . . . 17.780000000000001 113.365 -178.177 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -121.07 159.32 25.97 Favored 'General case' 0 N--CA 1.425 -1.7 0 N-CA-C 105.405 -2.072 . . . . 67.310000000000002 105.405 174.002 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.565 ' OE2' ' HG2' ' A' ' 38' ' ' ARG . 21.5 tt0 -122.59 146.19 47.67 Favored 'General case' 0 C--O 1.242 0.69 0 O-C-N 125.774 1.922 . . . . 32.090000000000003 111.845 177.733 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 49.7 t -110.29 131.88 60.14 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.736 0 CA-C-N 114.467 -1.242 . . . . 27.890000000000001 111.101 179.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.308 0.6 OUTLIER -143.96 150.86 50.98 Favored Pre-proline 0 N--CA 1.429 -1.52 0 C-N-CA 118.529 -1.269 . . . . 100.0 109.814 -175.529 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -77.65 142.7 20.72 Favored 'Trans proline' 0 N--CA 1.446 -1.318 0 C-N-CA 122.468 2.112 . . . . 33.840000000000003 111.597 178.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.866 ' CD1' ' HA ' ' A' ' 59' ' ' PRO . 51.4 t80 -106.52 132.76 20.64 Favored Pre-proline 0 N--CA 1.4 -2.951 0 C-N-CA 115.009 -2.676 . . . . 33.810000000000002 107.312 177.106 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.866 ' HA ' ' CD1' ' A' ' 58' ' ' PHE 0.344 74.0 Cg_endo -90.9 153.42 23.73 Favored 'Cis proline' 0 C--N 1.304 -1.789 0 CA-C-N 118.939 0.657 . . . . 40.909999999999997 113.196 2.597 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -46.3 -37.29 7.18 Favored 'General case' 0 C--O 1.243 0.742 0 N-CA-C 117.452 2.39 . . . . 55.0 117.452 -179.505 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.767 ' N ' HD22 ' A' ' 61' ' ' ASN 0.259 0.5 OUTLIER . . . . . 0 N--CA 1.445 -0.693 0 CA-C-N 115.622 -0.717 . . . . 100.0 111.703 -176.565 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 400' ' ' SO4 . . . . . 0.534 ' O4 ' ' OE1' ' A' ' 3' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' U' U ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' U' U ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_