data_1hdd_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 1hdd _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 ' A' A ' 1' ' ' ' DT' . . . . . 0.497 ' C6 ' " O5'" ' A' ' 1' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.407 -1.814 0 C4'-C3'-O3' 104.427 -2.67 . . . . 22.48 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.372 -4.511 2 C4'-C3'-C2' 108.429 5.229 . . . . 23.8 . . . . . . . . . . 2 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.633 3.954 2 O4'-C1'-N19 113.966 7.707 . . . . 24.45 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.571 4.292 3 O4'-C1'-N19 115.812 10.015 . . . . 23.66 . . . . . . . . . . 2 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.279 1 P-O3'-C3' 125.617 4.931 . . . . 26.18 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ' DC' . . . . . 0.66 ' N4 ' ' O6 ' ' B' ' 38' ' ' ' DG' . . . . . . . . 1 P--O5' 1.647 5.395 0 C1'-O4'-C4' 104.946 -3.396 . . . . 23.68 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ' DC' . . . . . 0.662 ' N3 ' ' N2 ' ' B' ' 37' ' ' ' DG' . . . . . . . . 1 O3'--C3' 1.485 4.126 2 O4'-C1'-N19 115.826 10.033 . . . . 26.27 . . . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ' DA' . . . . . 0.519 ' N1 ' ' N3 ' ' B' ' 36' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.4 -2.368 3 P-O3'-C3' 109.094 -8.838 . . . . 29.16 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ' DT' . . . . . 0.541 ' N3 ' ' N1 ' ' B' ' 35' ' ' ' DA' . . . . . . . . 0 P--OP1 1.518 1.971 5 P-O5'-C5' 107.307 -8.496 . . . . 22.41 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ' DG' . . . . . 0.611 ' N1 ' ' N3 ' ' B' ' 34' ' ' ' DC' . . . . . . . . 1 O3'--C3' 1.374 -4.353 1 O5'-C5'-C4' 104.226 -4.267 . . . . 23.91 . . . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ' DT' . . . . . 0.453 ' O2 ' ' NH1' ' C' ' 5' ' ' ARG . . . . . . . . 0 O4'--C1' 1.383 -2.829 4 P-O3'-C3' 130.364 8.886 . . . . 20.03 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.38 -3.912 0 O4'-C1'-N19 110.516 3.395 . . . . 20.1 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ' DA' . . . . . 0.401 ' N1 ' ' N3 ' ' B' ' 31' ' ' ' DT' . . . . . . . . 0 P--O3' 1.565 -3.478 3 O4'-C1'-N19 117.837 12.546 . . . . 17.23 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ' DT' . . . . . 0.453 ' C7 ' ' CG2' ' C' ' 47' ' ' ILE . . . . . . . . 0 C5'--C4' 1.534 2.925 2 O4'-C1'-N19 113.622 7.278 . . . . 18.09 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.388 -2.452 0 P-O3'-C3' 124.258 3.798 . . . . 20.86 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.409 -1.927 1 O4'-C1'-N19 112.42 5.775 . . . . 20.84 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ' DC' . . . . . 0.503 ' OP1' ' NH1' ' D' ' 31' ' ' ARG . . . . . . . . 0 O3'--C3' 1.405 -2.025 1 P-O3'-C3' 126.867 5.972 . . . . 19.4 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ' DC' . . . . . 0.413 " C2'" " O5'" ' A' ' 19' ' ' ' DT' . . . . . . . . 2 O3'--C3' 1.347 -6.446 0 P-O3'-C3' 123.915 3.513 . . . . 17.84 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ' DT' . . . . . 0.6 ' O4 ' ' N6 ' ' B' ' 25' ' ' ' DA' . . . . . . . . 1 O3'--C3' 1.347 -6.452 1 N19-C1'-C2' 120.656 4.035 . . . . 19.47 . . . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ' DA' . . . . . 0.501 ' N1 ' ' N3 ' ' B' ' 24' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.401 -2.272 0 C4'-C3'-C2' 106.106 2.906 . . . . 17.95 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.217 2 O4'-C1'-N19 114.042 7.803 . . . . 22.18 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.842 0 O4'-C1'-N19 110.625 3.532 . . . . 20.74 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.66 2 O4'-C1'-N19 113.958 7.698 . . . . 23.89 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ' DT' . . . . . 0.501 ' N3 ' ' N1 ' ' A' ' 20' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.475 2.609 2 O4'-C1'-N19 113.671 7.338 . . . . 23.0 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ' DA' . . . . . 0.6 ' N6 ' ' O4 ' ' A' ' 19' ' ' ' DT' . . . . . . . . 0 P--O5' 1.62 2.657 2 O4'-C1'-N19 114.019 7.773 . . . . 22.2 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.388 -3.32 2 O4'-C1'-N19 119.45 14.563 . . . . 19.83 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.365 -4.693 2 N19-C1'-C2' 107.078 -4.451 . . . . 17.4 . . . . . . . . . . 2 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.325 -8.164 2 O5'-C5'-C4' 103.003 -5.141 . . . . 16.82 . . . . . . . . . . 2 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.365 -5.082 2 P-O5'-C5' 110.224 -6.672 . . . . 19.07 . . . . . . . . . . 2 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ' DA' . . . . . 0.508 ' C2 ' ' C2 ' ' B' ' 31' ' ' ' DT' . . . . . . . . 1 O3'--C3' 1.379 -4.016 0 O4'-C1'-C2' 102.748 -3.048 . . . . 18.62 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' ' DT' . . . . . 0.508 ' C2 ' ' C2 ' ' B' ' 30' ' ' ' DA' . . . . . . . . 0 P--O5' 1.63 3.689 0 O4'-C1'-N19 104.628 -3.965 . . . . 22.14 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.909 3 P-O3'-C3' 110.653 -7.539 . . . . 26.24 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ' DA' . . . . . 0.421 ' N1 ' ' N3 ' ' A' ' 11' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.538 1.971 2 P-O5'-C5' 111.858 -5.651 . . . . 20.97 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' ' DC' . . . . . 0.611 ' N3 ' ' N1 ' ' A' ' 10' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.466 2.664 2 O4'-C1'-N19 111.862 5.077 . . . . 23.26 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' ' DA' . . . . . 0.541 ' N1 ' ' N3 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 2 O3'--C3' 1.519 6.773 2 C5'-C4'-C3' 122.463 5.175 . . . . 24.78 . . . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' ' DT' . . . . . 0.519 ' N3 ' ' N1 ' ' A' ' 8' ' ' ' DA' . . . . . . . . 1 P--O5' 1.635 4.154 2 O4'-C1'-N19 99.577 -10.278 . . . . 23.69 . . . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' ' DG' . . . . . 0.662 ' N2 ' ' N3 ' ' A' ' 7' ' ' ' DC' . . . . . . . . 0 P--O5' 1.623 3.015 2 N19-C1'-C2' 104.81 -5.869 . . . . 24.57 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' ' DG' . . . . . 0.66 ' O6 ' ' N4 ' ' A' ' 6' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.397 -2.584 4 P-O5'-C5' 109.716 -6.99 . . . . 24.7 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.382 -3.744 2 P-O5'-C5' 104.013 -10.554 . . . . 26.83 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.545 4 P-O3'-C3' 128.004 6.92 . . . . 27.67 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.539 2.089 3 P-O5'-C5' 110.483 -6.511 . . . . 21.0 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.502 -2.569 1 O4'-C1'-N19 112.463 5.829 . . . . 19.52 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 . . . . . 0 C--O 1.266 1.965 0 N-CA-C 115.402 1.63 . . . . 23.83 115.402 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -96.45 82.42 0.09 OUTLIER 'Trans proline' 0 CA--C 1.548 1.186 0 C-N-CA 123.188 2.592 . . . . 23.94 109.308 177.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' ARG . . . . . 0.453 ' NH1' ' O2 ' ' A' ' 11' ' ' ' DT' . 0.0 OUTLIER -75.83 107.06 7.76 Favored 'General case' 0 C--N 1.368 1.401 0 N-CA-C 108.344 -0.984 . . . . 26.53 108.344 -177.658 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' THR . . . . . 0.454 ' CG2' ' N ' ' C' ' 7' ' ' ALA . 2.2 m -57.19 146.1 29.3 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 120.437 1.471 . . . . 17.14 110.667 179.614 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' ALA . . . . . 0.454 ' N ' ' CG2' ' C' ' 6' ' ' THR . . . -111.77 125.56 54.13 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 113.879 -1.509 . . . . 16.67 107.011 178.159 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -95.95 143.84 26.78 Favored 'General case' 0 C--O 1.247 0.962 0 C-N-CA 116.77 -1.972 . . . . 18.43 113.408 -179.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 1.5 p -76.94 143.64 39.37 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 114.303 -1.317 . . . . 19.95 110.265 -179.277 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 94.4 p -49.55 -26.15 3.28 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-O 118.417 -0.802 . . . . 23.26 110.762 177.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -91.56 -7.83 49.14 Favored 'General case' 0 N--CA 1.438 -1.036 0 O-C-N 124.747 1.279 . . . . 28.57 113.77 179.78 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -91.9 -54.03 4.03 Favored 'General case' 0 N--CA 1.434 -1.268 0 N-CA-C 104.763 -2.31 . . . . 19.84 104.763 -179.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 20.2 mt -49.94 -24.36 2.5 Favored 'General case' 0 CA--C 1.498 -1.028 0 CA-C-O 122.887 1.327 . . . . 15.77 109.716 178.281 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.1 -48.41 20.81 Favored 'General case' 0 N--CA 1.428 -1.573 0 CA-C-O 115.809 -2.043 . . . . 14.97 115.679 179.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . 0.287 41.8 ttt85 -73.73 -24.22 59.87 Favored 'General case' 0 CA--C 1.498 -1.038 0 O-C-N 125.528 1.768 . . . . 30.77 112.15 179.163 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 15.6 mt -65.9 -63.49 1.07 Allowed 'General case' 0 N--CA 1.416 -2.125 0 N-CA-C 105.716 -1.957 . . . . 11.92 105.716 175.082 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -45.53 -55.57 6.08 Favored 'General case' 0 C--O 1.183 -2.426 0 C-N-CA 124.542 1.137 . . . . 23.21 110.029 177.545 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . . . -52.85 -30.59 34.6 Favored 'General case' 0 C--N 1.289 -2.061 0 CA-C-O 123.54 1.638 . . . . 11.92 114.912 179.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -82.78 -25.03 33.16 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 111.861 -2.427 . . . . 17.73 113.938 -175.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' PHE . . . . . 0.403 ' CE2' ' CG ' ' C' ' 52' ' ' LYS . 19.2 t80 -80.31 -24.05 40.21 Favored 'General case' 0 N--CA 1.423 -1.804 0 CA-C-O 122.292 1.044 . . . . 18.03 111.147 179.117 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -70.82 -51.95 23.53 Favored 'General case' 0 CA--C 1.452 -2.807 0 CA-C-N 114.973 -1.012 . . . . 13.36 111.598 -176.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . 0.256 5.2 tt0 -66.72 -39.29 87.95 Favored 'General case' 0 C--N 1.275 -2.659 0 O-C-N 126.557 2.41 . . . . 22.22 112.761 -177.992 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -150.25 105.52 3.36 Favored 'General case' 0 C--O 1.2 -1.517 0 O-C-N 126.467 2.354 . . . . 20.62 114.574 -178.15 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.86 -1.04 46.22 Favored 'General case' 0 CA--C 1.499 -1.007 0 C-N-CA 126.959 2.104 . . . . 12.71 116.253 -176.653 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 25' ' ' TYR . . . . . 0.502 ' CE1' ' CZ ' ' C' ' 53' ' ' ARG . 20.6 m-85 -124.16 114.36 19.55 Favored 'General case' 0 N--CA 1.434 -1.246 0 CA-C-O 123.84 1.781 . . . . 11.64 109.647 177.865 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 mt -75.27 137.36 41.14 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 116.455 2.02 . . . . 18.13 116.455 -178.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 27' ' ' THR . . . . . 0.441 ' O ' ' N ' ' C' ' 31' ' ' ARG . 0.1 OUTLIER -97.74 171.36 8.37 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 119.184 -2.197 . . . . 14.95 107.887 176.791 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 28' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' C' ' 32' ' ' GLN . 0.6 OUTLIER -67.06 -51.27 56.64 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 114.551 -2.86 . . . . 17.23 109.381 178.231 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -44.72 -53.98 6.73 Favored 'General case' 0 C--O 1.246 0.92 0 O-C-N 124.923 1.389 . . . . 30.5 109.748 176.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 30' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -67.44 -34.8 77.95 Favored 'General case' 0 N--CA 1.425 -1.686 0 CA-C-O 122.092 0.948 . . . . 31.22 110.621 179.525 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 31' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' C' ' 27' ' ' THR . 0.0 OUTLIER -68.53 -28.15 66.73 Favored 'General case' 0 CA--C 1.477 -1.854 0 C-N-CA 114.955 -2.698 . . . . 16.01 108.379 -178.578 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 32' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' C' ' 28' ' ' GLU . 13.6 mt-30 -73.79 -62.47 1.48 Allowed 'General case' 0 CA--C 1.483 -1.63 0 O-C-N 125.766 1.916 . . . . 18.28 112.136 -177.897 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -41.0 -49.89 3.31 Favored 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 126.244 2.215 . . . . 17.68 113.867 179.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.83 -39.61 59.1 Favored 'General case' 0 CA--C 1.489 -1.399 0 O-C-N 121.855 -0.528 . . . . 15.92 110.991 179.62 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 35' ' ' SER . . . . . 0.503 ' OG ' ' O ' ' C' ' 40' ' ' LEU . 0.2 OUTLIER -52.2 -62.86 1.37 Allowed 'General case' 0 C--O 1.241 0.609 0 O-C-N 125.054 1.471 . . . . 13.44 111.901 178.145 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 36' ' ' SER . . . . . . . . . . . . 0.374 0.5 OUTLIER -38.68 -74.64 0.04 OUTLIER 'General case' 0 CA--C 1.479 -1.755 0 O-C-N 126.09 2.119 . . . . 17.66 108.661 178.372 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -45.85 -57.28 4.46 Favored 'General case' 0 C--O 1.22 -0.462 1 O-C-N 129.178 4.049 . . . . 20.01 117.445 179.66 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 9.0 mt -83.81 -10.62 57.93 Favored 'General case' 0 C--N 1.309 -1.193 0 C-N-CA 117.286 -1.766 . . . . 15.93 112.874 -177.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.25 52.17 54.85 Favored Glycine 0 N--CA 1.441 -0.999 0 O-C-N 125.726 1.891 . . . . 14.87 111.204 -179.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 40' ' ' LEU . . . . . 0.503 ' O ' ' OG ' ' C' ' 35' ' ' SER . 12.6 mt -132.31 156.98 45.6 Favored 'General case' 0 N--CA 1.435 -1.221 0 N-CA-C 104.015 -2.587 . . . . 12.82 104.015 177.171 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 41' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' C' ' 43' ' ' ALA . 3.9 m-80 -84.83 140.13 31.41 Favored 'General case' 0 C--N 1.344 0.331 0 N-CA-C 114.697 1.369 . . . . 15.76 114.697 -179.877 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 42' ' ' GLU . . . . . 0.436 ' OE1' ' CG ' ' C' ' 32' ' ' GLN . 0.4 OUTLIER -51.25 -7.5 0.04 OUTLIER 'General case' 0 C--O 1.185 -2.333 0 N-CA-C 113.719 1.007 . . . . 17.99 113.719 -178.223 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 43' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' C' ' 41' ' ' ASN . . . -96.86 -22.92 16.62 Favored 'General case' 0 C--N 1.281 -2.41 0 C-N-CA 115.747 -2.381 . . . . 14.3 112.309 -178.038 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -84.41 -26.28 28.43 Favored 'General case' 0 C--O 1.195 -1.789 0 C-N-CA 117.467 -1.693 . . . . 21.4 110.091 178.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 23.6 mt -73.52 -29.28 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.149 0 N-CA-C 104.757 -2.312 . . . . 15.36 104.757 179.537 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 46' ' ' LYS . . . . . 0.594 ' NZ ' ' OE1' ' C' ' 50' ' ' GLN . 0.0 OUTLIER -62.78 -66.54 0.53 Allowed 'General case' 0 C--O 1.19 -2.065 0 CA-C-N 113.987 -1.461 . . . . 20.16 108.256 179.068 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 47' ' ' ILE . . . . . 0.453 ' CG2' ' C7 ' ' A' ' 14' ' ' ' DT' . 0.1 OUTLIER -56.63 -29.92 30.77 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.701 0 O-C-N 119.026 -2.296 . . . . 14.24 115.733 179.856 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 48' ' ' TRP . . . . . . . . . . . . . 62.8 t90 -58.68 -56.92 15.92 Favored 'General case' 0 CA--C 1.487 -1.472 0 CA-C-N 120.034 1.288 . . . . 14.66 108.775 -178.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 49' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -56.34 -39.73 73.32 Favored 'General case' 0 N--CA 1.432 -1.336 0 O-C-N 125.163 1.54 . . . . 15.0 111.482 -179.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 50' ' ' GLN . . . . . 0.594 ' OE1' ' NZ ' ' C' ' 46' ' ' LYS . 12.9 mt-30 -58.98 -51.67 69.05 Favored 'General case' 0 C--O 1.199 -1.602 0 O-C-N 120.661 -1.274 . . . . 17.19 108.341 179.797 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -63.96 -33.6 76.09 Favored 'General case' 0 N--CA 1.429 -1.515 0 C-N-CA 124.33 1.052 . . . . 15.51 111.827 -178.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 52' ' ' LYS . . . . . 0.403 ' CG ' ' CE2' ' C' ' 20' ' ' PHE . 5.9 tptm -61.33 -66.34 0.55 Allowed 'General case' 0 N--CA 1.439 -1.013 0 C-N-CA 117.6 -1.64 . . . . 19.95 107.703 178.02 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 53' ' ' ARG . . . . . 0.502 ' CZ ' ' CE1' ' C' ' 25' ' ' TYR . 17.6 mtt180 -38.16 -30.15 0.03 OUTLIER 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 124.691 1.196 . . . . 13.0 112.545 176.607 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.01 -48.75 56.84 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 114.064 1.135 . . . . 18.93 114.064 -179.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 55' ' ' LYS . . . . . . . . . . . . 0.256 0.0 OUTLIER -75.04 -20.07 59.73 Favored 'General case' 0 N--CA 1.428 -1.555 0 C-N-CA 117.17 -1.812 . . . . 22.28 113.241 -179.746 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 1.4 mt -69.01 -42.16 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.399 -3.002 0 N-CA-C 105.422 -2.066 . . . . 14.68 105.422 179.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . 0.259 2.9 mttp -63.75 -53.75 46.2 Favored 'General case' 0 N--CA 1.481 1.088 0 O-C-N 125.035 1.459 . . . . 23.02 108.638 179.505 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . 0.315 0.0 OUTLIER -75.64 8.36 3.01 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 116.489 -2.084 . . . . 29.19 111.583 179.557 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 59' ' ' SER . . . . . . . . . . . . 0.281 18.9 m . . . . . 0 C--O 1.27 2.174 0 C-N-CA 116.622 -2.031 . . . . 24.38 112.901 179.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 3' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.682 0 N-CA-C 108.395 -0.965 . . . . 21.34 108.395 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -59.54 136.64 72.63 Favored 'Trans proline' 0 N--CA 1.445 -1.347 0 C-N-CA 123.83 3.02 . . . . 17.41 114.285 -179.543 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 3.5 ttt-85 -57.11 131.31 49.52 Favored 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 106.363 -1.717 . . . . 23.06 106.363 178.093 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 6' ' ' THR . . . . . 0.565 ' CG2' ' N ' ' D' ' 7' ' ' ALA . 24.8 m -125.6 -175.57 3.37 Favored 'General case' 0 C--N 1.314 -0.964 0 O-C-N 120.02 -1.675 . . . . 16.7 111.53 -179.588 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 7' ' ' ALA . . . . . 0.565 ' N ' ' CG2' ' D' ' 6' ' ' THR . . . -146.68 128.71 15.53 Favored 'General case' 0 CA--C 1.484 -1.581 0 N-CA-C 107.673 -1.232 . . . . 14.74 107.673 -177.522 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 8' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -83.72 142.09 30.97 Favored 'General case' 0 CA--C 1.496 -1.122 0 O-C-N 127.373 2.921 . . . . 14.46 115.212 -176.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 72.4 p -76.96 163.35 26.8 Favored 'General case' 0 N--CA 1.422 -1.857 0 C-N-CA 115.596 -2.441 . . . . 17.79 104.937 -179.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 37.6 m -72.37 -13.64 61.52 Favored 'General case' 0 N--CA 1.431 -1.396 0 CA-C-O 123.17 1.462 . . . . 15.27 111.153 178.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . 0.264 4.5 mt-10 -77.87 -29.16 50.22 Favored 'General case' 0 CA--C 1.474 -1.949 0 CA-C-N 113.842 -1.526 . . . . 23.56 106.952 -179.344 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -93.19 -48.1 6.63 Favored 'General case' 0 C--O 1.185 -2.295 0 O-C-N 125.856 1.973 . . . . 14.18 109.387 -178.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 13.6 tp -55.93 -29.57 60.33 Favored 'General case' 0 C--N 1.285 -2.206 0 O-C-N 120.203 -1.561 . . . . 22.5 112.876 -177.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.52 -1.21 57.6 Favored 'General case' 0 C--O 1.2 -1.552 0 C-N-CA 118.038 -1.465 . . . . 16.57 111.792 -178.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 15' ' ' ARG . . . . . 0.472 ' NH2' ' CG ' ' D' ' 19' ' ' GLU . 11.2 tpt85 -99.0 -21.34 16.28 Favored 'General case' 0 C--N 1.28 -2.432 0 C-N-CA 115.887 -2.325 . . . . 24.57 107.924 177.357 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 11.5 mt -73.57 -45.52 52.84 Favored 'General case' 0 N--CA 1.428 -1.548 0 N-CA-C 105.677 -1.972 . . . . 14.88 105.677 179.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.65 -17.06 63.47 Favored 'General case' 0 C--O 1.205 -1.275 0 CA-C-O 123.611 1.672 . . . . 21.66 112.808 179.275 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . . . -88.92 -20.8 24.08 Favored 'General case' 0 C--N 1.284 -2.259 0 O-C-N 118.293 -2.754 . . . . 17.69 108.235 178.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 19' ' ' GLU . . . . . 0.693 ' OE2' ' NH2' ' D' ' 30' ' ' ARG . 20.6 mm-40 -85.26 -34.85 21.86 Favored 'General case' 0 C--O 1.197 -1.696 0 CA-C-O 122.046 0.927 . . . . 16.05 109.353 -179.354 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -74.18 4.44 5.65 Favored 'General case' 0 CA--C 1.488 -1.417 0 CA-C-O 123.282 1.515 . . . . 15.28 107.316 -179.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -105.64 -24.07 12.63 Favored 'General case' 0 CA--C 1.482 -1.666 0 C-N-CA 117.824 -1.55 . . . . 21.43 110.611 -177.905 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.63 -31.12 26.39 Favored 'General case' 0 N--CA 1.429 -1.514 0 O-C-N 125.948 2.03 . . . . 18.99 109.787 179.982 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 23' ' ' ASN . . . . . . . . . . . . 0.279 43.1 t-20 -170.23 131.37 0.98 Allowed 'General case' 0 CA--C 1.496 -1.112 0 O-C-N 124.698 1.249 . . . . 14.21 108.833 -176.529 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 24' ' ' ARG . . . . . 0.477 ' NH2' ' CG ' ' D' ' 24' ' ' ARG . 0.0 OUTLIER -77.75 -11.68 59.9 Favored 'General case' 0 N--CA 1.419 -1.989 0 N-CA-C 117.618 2.451 . . . . 22.86 117.618 178.871 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' D' D ' 25' ' ' TYR . . . . . . . . . . . . 0.285 47.0 m-85 -106.12 123.9 48.73 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 119.232 -2.168 . . . . 11.35 113.912 -177.244 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 26' ' ' LEU . . . . . 0.515 ' CD1' ' CD2' ' D' ' 49' ' ' PHE . 0.3 OUTLIER -82.24 162.2 22.43 Favored 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 116.785 -1.966 . . . . 15.69 111.319 177.457 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.09 155.1 40.35 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 105.445 -2.057 . . . . 13.23 105.445 -179.017 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -52.83 -55.16 25.07 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 116.074 1.879 . . . . 24.3 116.074 -177.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 29' ' ' ARG . . . . . 0.418 ' CG ' ' NH2' ' D' ' 29' ' ' ARG . 2.6 ttt85 -64.46 -32.31 73.89 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-O 123.13 1.443 . . . . 22.27 111.046 -179.116 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 30' ' ' ARG . . . . . 0.693 ' NH2' ' OE2' ' D' ' 19' ' ' GLU 0.259 0.3 OUTLIER -80.01 -21.88 43.09 Favored 'General case' 0 N--CA 1.417 -2.085 0 CA-C-N 114.891 -1.05 . . . . 22.62 111.571 -179.892 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' D' D ' 31' ' ' ARG . . . . . 0.519 ' NH2' ' OE1' ' D' ' 42' ' ' GLU . 21.1 ttm105 -70.91 -43.45 68.24 Favored 'General case' 0 CA--C 1.486 -1.489 0 N-CA-C 104.809 -2.293 . . . . 16.42 104.809 177.433 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -53.99 -75.38 0.03 OUTLIER 'General case' 0 N--CA 1.425 -1.679 0 O-C-N 126.804 2.565 . . . . 20.55 107.593 176.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -28.54 -51.22 0.08 Allowed 'General case' 0 C--O 1.219 -0.531 0 C-N-CA 125.164 1.386 . . . . 22.41 114.224 178.526 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 93.8 mt -68.65 -29.08 67.49 Favored 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 115.735 1.754 . . . . 15.02 115.735 -179.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 35' ' ' SER . . . . . 0.504 ' OG ' ' O ' ' D' ' 40' ' ' LEU . 0.2 OUTLIER -71.63 -39.84 70.15 Favored 'General case' 0 C--O 1.194 -1.836 0 O-C-N 120.2 -1.563 . . . . 22.78 111.022 -179.964 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' D' D ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.12 -16.24 56.98 Favored 'General case' 0 N--CA 1.415 -2.181 0 CA-C-O 123.181 1.467 . . . . 16.4 107.159 179.7 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 37' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -84.55 -63.0 1.41 Allowed 'General case' 0 C--O 1.189 -2.089 0 C-N-CA 117.736 -1.586 . . . . 22.58 111.187 -179.16 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.41 -5.48 49.91 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 125.486 1.741 . . . . 17.32 113.823 -178.904 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 39' ' ' GLY . . . . . . . . . . . . . . . 68.01 19.32 71.72 Favored Glycine 0 CA--C 1.528 0.906 0 CA-C-O 122.704 1.169 . . . . 12.33 114.477 -179.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 40' ' ' LEU . . . . . 0.504 ' O ' ' OG ' ' D' ' 35' ' ' SER . 4.3 mt -91.53 176.81 6.41 Favored 'General case' 0 N--CA 1.419 -1.995 0 CA-C-O 124.454 2.073 . . . . 11.49 109.125 178.887 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 41' ' ' ASN . . . . . 0.473 ' O ' ' N ' ' D' ' 44' ' ' GLN . 7.4 t-20 -103.1 129.97 50.1 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 106.407 -1.701 . . . . 17.09 106.407 179.212 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 42' ' ' GLU . . . . . 0.519 ' OE1' ' NH2' ' D' ' 31' ' ' ARG . 27.7 mt-10 -37.34 -58.07 0.86 Allowed 'General case' 0 N--CA 1.429 -1.51 0 O-C-N 125.277 1.61 . . . . 19.88 110.771 -179.459 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.67 -15.08 10.2 Favored 'General case' 0 C--O 1.193 -1.906 0 C-N-CA 117.121 -1.832 . . . . 9.79 114.522 -178.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 44' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' D' ' 41' ' ' ASN . 28.9 mm-40 -84.83 -31.42 23.83 Favored 'General case' 0 C--O 1.252 1.199 0 C-N-CA 118.503 -1.279 . . . . 11.85 110.159 -179.894 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 55.1 mt -70.46 -47.21 66.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 O-C-N 126.357 2.285 . . . . 12.68 107.034 179.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 46' ' ' LYS . . . . . . . . . . . . . 14.1 tttp -53.89 -44.62 70.62 Favored 'General case' 0 C--O 1.189 -2.084 0 CA-C-N 114.664 -1.153 . . . . 18.3 113.972 178.566 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 22.1 mt -77.13 -28.16 16.5 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.995 0 O-C-N 120.69 -1.256 . . . . 14.31 113.309 -179.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 48' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -62.98 -46.31 88.32 Favored 'General case' 0 CA--C 1.497 -1.079 0 N-CA-C 105.562 -2.014 . . . . 13.78 105.562 179.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 49' ' ' PHE . . . . . 0.515 ' CD2' ' CD1' ' D' ' 26' ' ' LEU . 3.9 m-85 -59.31 -50.63 73.25 Favored 'General case' 0 C--O 1.241 0.652 0 O-C-N 125.437 1.711 . . . . 15.55 112.647 -177.373 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -49.54 -54.56 17.36 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-O 123.342 1.544 . . . . 20.74 110.47 178.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 51' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -60.05 -43.74 95.18 Favored 'General case' 0 CA--C 1.484 -1.573 0 CA-C-N 112.476 -2.147 . . . . 18.09 112.018 -177.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -47.03 77.98 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-O 122.643 1.211 . . . . 24.39 110.101 179.769 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -55.23 -48.93 73.21 Favored 'General case' 0 CA--C 1.484 -1.578 0 O-C-N 121.041 -1.037 . . . . 18.15 110.594 178.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.09 -34.86 70.62 Favored 'General case' 0 C--O 1.196 -1.751 0 CA-C-N 114.661 -1.154 . . . . 10.58 113.188 179.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 55' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -72.66 -58.43 3.36 Favored 'General case' 0 CA--C 1.49 -1.335 0 O-C-N 121.943 -0.473 . . . . 18.54 110.723 -179.468 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 56' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -45.06 -44.53 2.96 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.061 0 O-C-N 126.109 2.131 . . . . 20.26 109.009 -179.51 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 57' ' ' LYS . . . . . 0.655 ' O ' ' N ' ' D' ' 59' ' ' SER . 0.4 OUTLIER -46.89 -67.65 0.26 Allowed 'General case' 0 N--CA 1.439 -1.005 0 O-C-N 125.291 1.619 . . . . 20.57 109.42 178.728 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' D' D ' 58' ' ' LYS . . . . . . . . . . . . 0.868 40.6 tptt -23.54 -19.99 0.0 OUTLIER 'General case' 0 C--O 1.265 1.879 1 N-CA-C 122.572 4.286 . . . . 26.33 122.572 -178.761 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' D' D ' 59' ' ' SER . . . . . 0.655 ' N ' ' O ' ' D' ' 57' ' ' LYS 0.478 72.5 p . . . . . 0 C--O 1.277 2.513 0 N-CA-C 114.519 1.303 . . . . 25.52 114.519 178.653 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ' DT' . . . . . 0.89 ' H6 ' HO5' ' A' ' 1' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.407 -1.814 0 C4'-C3'-O3' 104.427 -2.67 . . . . 22.48 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ' DT' . . . . . 0.548 " H2'" ' H71' ' A' ' 3' ' ' ' DT' . . . . . . . . 1 O3'--C3' 1.372 -4.511 2 C4'-C3'-C2' 108.429 5.229 . . . . 23.8 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ' DT' . . . . . 0.548 ' H71' " H2'" ' A' ' 2' ' ' ' DT' . . . . . . . . 0 P--O5' 1.633 3.954 2 O4'-C1'-N19 113.966 7.707 . . . . 24.45 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ' DT' . . . . . 0.447 " H4'" ' OP1' ' A' ' 5' ' ' ' DG' . . . . . . . . 1 C4'--C3' 1.571 4.292 3 O4'-C1'-N19 115.812 10.015 . . . . 23.66 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ' DG' . . . . . 0.447 ' OP1' " H4'" ' A' ' 4' ' ' ' DT' . . . . . . . . 0 P--O5' 1.626 3.279 1 P-O3'-C3' 125.617 4.931 . . . . 26.18 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ' DC' . . . . . 0.684 H2'' " O4'" ' A' ' 7' ' ' ' DC' . . . . . . . . 1 P--O5' 1.647 5.395 0 C1'-O4'-C4' 104.946 -3.396 . . . . 23.68 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ' DC' . . . . . 0.733 ' H42' ' H1 ' ' B' ' 37' ' ' ' DG' . . . . . . . . 1 O3'--C3' 1.485 4.126 2 O4'-C1'-N19 115.826 10.033 . . . . 26.27 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ' DA' . . . . . 0.706 ' C8 ' " H2'" ' A' ' 7' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.4 -2.368 3 P-O3'-C3' 109.094 -8.838 . . . . 29.16 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ' DT' . . . . . 0.591 H2'' ' C8 ' ' A' ' 10' ' ' ' DG' . . . . . . . . 0 P--OP1 1.518 1.971 5 P-O5'-C5' 107.307 -8.496 . . . . 22.41 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ' DG' . . . . . 0.591 ' C8 ' H2'' ' A' ' 9' ' ' ' DT' . . . . . . . . 1 O3'--C3' 1.374 -4.353 1 O5'-C5'-C4' 104.226 -4.267 . . . . 23.91 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ' DT' . . . . . 0.453 ' O2 ' ' NH1' ' C' ' 5' ' ' ARG . . . . . . . . 0 O4'--C1' 1.383 -2.829 4 P-O3'-C3' 130.364 8.886 . . . . 20.03 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.38 -3.912 0 O4'-C1'-N19 110.516 3.395 . . . . 20.1 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ' DA' . . . . . 0.616 " H4'" ' HD3' ' C' ' 3' ' ' ARG . . . . . . . . 0 P--O3' 1.565 -3.478 3 O4'-C1'-N19 117.837 12.546 . . . . 17.23 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ' DT' . . . . . 0.758 ' H72' HG21 ' C' ' 47' ' ' ILE . . . . . . . . 0 C5'--C4' 1.534 2.925 2 O4'-C1'-N19 113.622 7.278 . . . . 18.09 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.388 -2.452 0 P-O3'-C3' 124.258 3.798 . . . . 20.86 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.409 -1.927 1 O4'-C1'-N19 112.42 5.775 . . . . 20.84 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ' DC' . . . . . 0.503 ' OP1' ' NH1' ' D' ' 31' ' ' ARG . . . . . . . . 0 O3'--C3' 1.405 -2.025 1 P-O3'-C3' 126.867 5.972 . . . . 19.4 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ' DC' . . . . . 0.413 " C2'" " O5'" ' A' ' 19' ' ' ' DT' . . . . . . . . 2 O3'--C3' 1.347 -6.446 0 P-O3'-C3' 123.915 3.513 . . . . 17.84 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ' DT' . . . . . 0.413 " O5'" " C2'" ' A' ' 18' ' ' ' DC' . . . . . . . . 1 O3'--C3' 1.347 -6.452 1 N19-C1'-C2' 120.656 4.035 . . . . 19.47 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.401 -2.272 0 C4'-C3'-C2' 106.106 2.906 . . . . 17.95 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.217 2 O4'-C1'-N19 114.042 7.803 . . . . 22.18 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ' DA' . . . . . 0.468 H2'' " H5'" ' B' ' 23' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.536 1.842 0 O4'-C1'-N19 110.625 3.532 . . . . 20.74 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' ' DT' . . . . . 0.468 " H5'" H2'' ' B' ' 22' ' ' ' DA' . . . . . . . . 0 P--O5' 1.63 3.66 2 O4'-C1'-N19 113.958 7.698 . . . . 23.89 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.475 2.609 2 O4'-C1'-N19 113.671 7.338 . . . . 23.0 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.657 2 O4'-C1'-N19 114.019 7.773 . . . . 22.2 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ' DG' . . . . . 0.427 " O5'" " H2'" ' B' ' 26' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.388 -3.32 2 O4'-C1'-N19 119.45 14.563 . . . . 19.83 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 27' ' ' ' DG' . . . . . 0.643 H2'' " O5'" ' B' ' 28' ' ' ' DT' . . . . . . . . 1 O5'--C5' 1.365 -4.693 2 N19-C1'-C2' 107.078 -4.451 . . . . 17.4 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' B' B ' 28' ' ' ' DT' . . . . . 0.664 H2'' " O5'" ' B' ' 29' ' ' ' DA' . . . . . . . . 1 O3'--C3' 1.325 -8.164 2 O5'-C5'-C4' 103.003 -5.141 . . . . 16.82 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' B' B ' 29' ' ' ' DA' . . . . . 0.664 " O5'" H2'' ' B' ' 28' ' ' ' DT' . . . . . . . . 1 O3'--C3' 1.365 -5.082 2 P-O5'-C5' 110.224 -6.672 . . . . 19.07 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ' DA' . . . . . 0.508 ' C2 ' ' C2 ' ' B' ' 31' ' ' ' DT' . . . . . . . . 1 O3'--C3' 1.379 -4.016 0 O4'-C1'-C2' 102.748 -3.048 . . . . 18.62 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 31' ' ' ' DT' . . . . . 0.723 " H2'" ' C6 ' ' B' ' 32' ' ' ' DT' . . . . . . . . 0 P--O5' 1.63 3.689 0 O4'-C1'-N19 104.628 -3.965 . . . . 22.14 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' ' DT' . . . . . 0.723 ' C6 ' " H2'" ' B' ' 31' ' ' ' DT' . . . . . . . . 0 P--O5' 1.622 2.909 3 P-O3'-C3' 110.653 -7.539 . . . . 26.24 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.971 2 P-O5'-C5' 111.858 -5.651 . . . . 20.97 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' ' DC' . . . . . 0.51 ' N3 ' ' N1 ' ' A' ' 10' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.466 2.664 2 O4'-C1'-N19 111.862 5.077 . . . . 23.26 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 35' ' ' ' DA' . . . . . 0.516 ' N1 ' ' N3 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 2 O3'--C3' 1.519 6.773 2 C5'-C4'-C3' 122.463 5.175 . . . . 24.78 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' B' B ' 36' ' ' ' DT' . . . . . 0.68 H2'' ' C8 ' ' B' ' 37' ' ' ' DG' . . . . . . . . 1 P--O5' 1.635 4.154 2 O4'-C1'-N19 99.577 -10.278 . . . . 23.69 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' B' B ' 37' ' ' ' DG' . . . . . 0.733 ' H1 ' ' H42' ' A' ' 7' ' ' ' DC' . . . . . . . . 0 P--O5' 1.623 3.015 2 N19-C1'-C2' 104.81 -5.869 . . . . 24.57 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 38' ' ' ' DG' . . . . . 0.646 ' O6 ' ' N4 ' ' A' ' 6' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.397 -2.584 4 P-O5'-C5' 109.716 -6.99 . . . . 24.7 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 39' ' ' ' DC' . . . . . 0.542 H2'' " H5'" ' B' ' 40' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.382 -3.744 2 P-O5'-C5' 104.013 -10.554 . . . . 26.83 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 40' ' ' ' DA' . . . . . 0.542 " H5'" H2'' ' B' ' 39' ' ' ' DC' . . . . . . . . 0 P--O5' 1.618 2.545 4 P-O3'-C3' 128.004 6.92 . . . . 27.67 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 41' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.539 2.089 3 P-O5'-C5' 110.483 -6.511 . . . . 21.0 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.502 -2.569 1 O4'-C1'-N19 112.463 5.829 . . . . 19.52 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 3' ' ' ARG . . . . . 0.616 ' HD3' " H4'" ' A' ' 13' ' ' ' DA' . 37.8 ttm180 . . . . . 0 C--O 1.266 1.965 0 N-CA-C 115.402 1.63 . . . . 23.83 115.402 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -96.45 82.42 0.09 OUTLIER 'Trans proline' 0 CA--C 1.548 1.186 0 C-N-CA 123.188 2.592 . . . . 23.94 109.308 177.114 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' ARG . . . . . 0.453 ' NH1' ' O2 ' ' A' ' 11' ' ' ' DT' . 0.0 OUTLIER -75.83 107.06 7.76 Favored 'General case' 0 C--N 1.368 1.401 0 N-CA-C 108.344 -0.984 . . . . 26.53 108.344 -177.658 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 6' ' ' THR . . . . . 0.599 HG21 ' CE1' ' C' ' 8' ' ' PHE . 2.2 m -57.19 146.1 29.3 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 120.437 1.471 . . . . 17.14 110.667 179.614 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 7' ' ' ALA . . . . . 0.454 ' N ' ' CG2' ' C' ' 6' ' ' THR . . . -111.77 125.56 54.13 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 113.879 -1.509 . . . . 16.67 107.011 178.159 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 8' ' ' PHE . . . . . 0.599 ' CE1' HG21 ' C' ' 6' ' ' THR . 21.8 m-85 -95.95 143.84 26.78 Favored 'General case' 0 C--O 1.247 0.962 0 C-N-CA 116.77 -1.972 . . . . 18.43 113.408 -179.384 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 9' ' ' SER . . . . . 0.773 ' OG ' ' HG3' ' C' ' 12' ' ' GLN . 1.5 p -76.94 143.64 39.37 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 114.303 -1.317 . . . . 19.95 110.265 -179.277 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 94.4 p -49.55 -26.15 3.28 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-O 118.417 -0.802 . . . . 23.26 110.762 177.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -91.56 -7.83 49.14 Favored 'General case' 0 N--CA 1.438 -1.036 0 O-C-N 124.747 1.279 . . . . 28.57 113.77 179.78 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 12' ' ' GLN . . . . . 0.773 ' HG3' ' OG ' ' C' ' 9' ' ' SER . 89.1 mt-30 -91.9 -54.03 4.03 Favored 'General case' 0 N--CA 1.434 -1.268 0 N-CA-C 104.763 -2.31 . . . . 19.84 104.763 -179.549 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 13' ' ' LEU . . . . . 0.563 ' O ' ' HG3' ' C' ' 17' ' ' LYS . 20.2 mt -49.94 -24.36 2.5 Favored 'General case' 0 CA--C 1.498 -1.028 0 CA-C-O 122.887 1.327 . . . . 15.77 109.716 178.281 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.1 -48.41 20.81 Favored 'General case' 0 N--CA 1.428 -1.573 0 CA-C-O 115.809 -2.043 . . . . 14.97 115.679 179.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . 0.287 41.8 ttt85 -73.73 -24.22 59.87 Favored 'General case' 0 CA--C 1.498 -1.038 0 O-C-N 125.528 1.768 . . . . 30.77 112.15 179.163 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 16' ' ' LEU . . . . . 0.437 ' HA ' HD23 ' C' ' 16' ' ' LEU . 15.6 mt -65.9 -63.49 1.07 Allowed 'General case' 0 N--CA 1.416 -2.125 0 N-CA-C 105.716 -1.957 . . . . 11.92 105.716 175.082 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 17' ' ' LYS . . . . . 0.563 ' HG3' ' O ' ' C' ' 13' ' ' LEU . 0.7 OUTLIER -45.53 -55.57 6.08 Favored 'General case' 0 C--O 1.183 -2.426 0 C-N-CA 124.542 1.137 . . . . 23.21 110.029 177.545 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . . . -52.85 -30.59 34.6 Favored 'General case' 0 C--N 1.289 -2.061 0 CA-C-O 123.54 1.638 . . . . 11.92 114.912 179.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -82.78 -25.03 33.16 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 111.861 -2.427 . . . . 17.73 113.938 -175.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 20' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' C' ' 52' ' ' LYS . 19.2 t80 -80.31 -24.05 40.21 Favored 'General case' 0 N--CA 1.423 -1.804 0 CA-C-O 122.292 1.044 . . . . 18.03 111.147 179.117 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -70.82 -51.95 23.53 Favored 'General case' 0 CA--C 1.452 -2.807 0 CA-C-N 114.973 -1.012 . . . . 13.36 111.598 -176.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . 0.256 5.2 tt0 -66.72 -39.29 87.95 Favored 'General case' 0 C--N 1.275 -2.659 0 O-C-N 126.557 2.41 . . . . 22.22 112.761 -177.992 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -150.25 105.52 3.36 Favored 'General case' 0 C--O 1.2 -1.517 0 O-C-N 126.467 2.354 . . . . 20.62 114.574 -178.15 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 24' ' ' ARG . . . . . 0.428 ' H ' ' HG2' ' C' ' 24' ' ' ARG . 0.1 OUTLIER -81.86 -1.04 46.22 Favored 'General case' 0 CA--C 1.499 -1.007 0 C-N-CA 126.959 2.104 . . . . 12.71 116.253 -176.653 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 25' ' ' TYR . . . . . 0.502 ' CE1' ' CZ ' ' C' ' 53' ' ' ARG . 20.6 m-85 -124.16 114.36 19.55 Favored 'General case' 0 N--CA 1.434 -1.246 0 CA-C-O 123.84 1.781 . . . . 11.64 109.647 177.865 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 26' ' ' LEU . . . . . 0.685 HD11 HG22 ' C' ' 45' ' ' ILE . 3.5 mt -75.27 137.36 41.14 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 116.455 2.02 . . . . 18.13 116.455 -178.451 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.74 171.36 8.37 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 119.184 -2.197 . . . . 14.95 107.887 176.791 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.06 -51.27 56.64 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 114.551 -2.86 . . . . 17.23 109.381 178.231 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 29' ' ' ARG . . . . . 0.749 ' O ' ' HG3' ' C' ' 33' ' ' GLN . 65.3 ttt180 -44.72 -53.98 6.73 Favored 'General case' 0 C--O 1.246 0.92 0 O-C-N 124.923 1.389 . . . . 30.5 109.748 176.752 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 30' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -67.44 -34.8 77.95 Favored 'General case' 0 N--CA 1.425 -1.686 0 CA-C-O 122.092 0.948 . . . . 31.22 110.621 179.525 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 31' ' ' ARG . . . . . 0.826 ' HD2' ' HB3' ' C' ' 42' ' ' GLU . 0.0 OUTLIER -68.53 -28.15 66.73 Favored 'General case' 0 CA--C 1.477 -1.854 0 C-N-CA 114.955 -2.698 . . . . 16.01 108.379 -178.578 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 32' ' ' GLN . . . . . 0.648 ' HG2' ' OE1' ' C' ' 42' ' ' GLU . 51.4 mt-30 -73.79 -62.47 1.48 Allowed 'General case' 0 CA--C 1.483 -1.63 0 O-C-N 125.766 1.916 . . . . 18.28 112.136 -177.897 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 33' ' ' GLN . . . . . 0.749 ' HG3' ' O ' ' C' ' 29' ' ' ARG . 5.9 mt-30 -41.0 -49.89 3.31 Favored 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 126.244 2.215 . . . . 17.68 113.867 179.095 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 34' ' ' LEU . . . . . 0.564 HD23 ' N ' ' C' ' 34' ' ' LEU . 0.4 OUTLIER -51.83 -39.61 59.1 Favored 'General case' 0 CA--C 1.489 -1.399 0 O-C-N 121.855 -0.528 . . . . 15.92 110.991 179.62 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 35' ' ' SER . . . . . 0.476 ' HB2' ' O ' ' C' ' 32' ' ' GLN . 0.2 OUTLIER -52.2 -62.86 1.37 Allowed 'General case' 0 C--O 1.241 0.609 0 O-C-N 125.054 1.471 . . . . 13.44 111.901 178.145 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 36' ' ' SER . . . . . 0.485 ' HB2' ' O ' ' C' ' 33' ' ' GLN 0.374 0.5 OUTLIER -38.68 -74.64 0.04 OUTLIER 'General case' 0 CA--C 1.479 -1.755 0 O-C-N 126.09 2.119 . . . . 17.66 108.661 178.372 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -45.85 -57.28 4.46 Favored 'General case' 0 C--O 1.22 -0.462 1 O-C-N 129.178 4.049 . . . . 20.01 117.445 179.66 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 9.0 mt -83.81 -10.62 57.93 Favored 'General case' 0 C--N 1.309 -1.193 0 C-N-CA 117.286 -1.766 . . . . 15.93 112.874 -177.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.25 52.17 54.85 Favored Glycine 0 N--CA 1.441 -0.999 0 O-C-N 125.726 1.891 . . . . 14.87 111.204 -179.292 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 12.6 mt -132.31 156.98 45.6 Favored 'General case' 0 N--CA 1.435 -1.221 0 N-CA-C 104.015 -2.587 . . . . 12.82 104.015 177.171 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 41' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' C' ' 43' ' ' ALA . 3.6 m120 -84.83 140.13 31.41 Favored 'General case' 0 C--N 1.344 0.331 0 N-CA-C 114.697 1.369 . . . . 15.76 114.697 -179.877 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 42' ' ' GLU . . . . . 0.826 ' HB3' ' HD2' ' C' ' 31' ' ' ARG . 0.4 OUTLIER -51.25 -7.5 0.04 OUTLIER 'General case' 0 C--O 1.185 -2.333 0 N-CA-C 113.719 1.007 . . . . 17.99 113.719 -178.223 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 43' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' C' ' 41' ' ' ASN . . . -96.86 -22.92 16.62 Favored 'General case' 0 C--N 1.281 -2.41 0 C-N-CA 115.747 -2.381 . . . . 14.3 112.309 -178.038 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -84.41 -26.28 28.43 Favored 'General case' 0 C--O 1.195 -1.789 0 C-N-CA 117.467 -1.693 . . . . 21.4 110.091 178.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 45' ' ' ILE . . . . . 0.685 HG22 HD11 ' C' ' 26' ' ' LEU . 23.6 mt -73.52 -29.28 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.149 0 N-CA-C 104.757 -2.312 . . . . 15.36 104.757 179.537 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 46' ' ' LYS . . . . . 0.578 ' NZ ' ' OE1' ' C' ' 50' ' ' GLN . 0.0 OUTLIER -62.78 -66.54 0.53 Allowed 'General case' 0 C--O 1.19 -2.065 0 CA-C-N 113.987 -1.461 . . . . 20.16 108.256 179.068 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 47' ' ' ILE . . . . . 0.758 HG21 ' H72' ' A' ' 14' ' ' ' DT' . 0.1 OUTLIER -56.63 -29.92 30.77 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.701 0 O-C-N 119.026 -2.296 . . . . 14.24 115.733 179.856 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 48' ' ' TRP . . . . . 0.446 ' HE3' ' CD2' ' C' ' 49' ' ' PHE . 62.8 t90 -58.68 -56.92 15.92 Favored 'General case' 0 CA--C 1.487 -1.472 0 CA-C-N 120.034 1.288 . . . . 14.66 108.775 -178.71 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 49' ' ' PHE . . . . . 0.446 ' CD2' ' HE3' ' C' ' 48' ' ' TRP . 4.8 m-85 -56.34 -39.73 73.32 Favored 'General case' 0 N--CA 1.432 -1.336 0 O-C-N 125.163 1.54 . . . . 15.0 111.482 -179.619 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 50' ' ' GLN . . . . . 0.578 ' OE1' ' NZ ' ' C' ' 46' ' ' LYS . 12.9 mt-30 -58.98 -51.67 69.05 Favored 'General case' 0 C--O 1.199 -1.602 0 O-C-N 120.661 -1.274 . . . . 17.19 108.341 179.797 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -63.96 -33.6 76.09 Favored 'General case' 0 N--CA 1.429 -1.515 0 C-N-CA 124.33 1.052 . . . . 15.51 111.827 -178.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 52' ' ' LYS . . . . . 0.576 ' HB3' ' CE2' ' C' ' 20' ' ' PHE . 5.9 tptm -61.33 -66.34 0.55 Allowed 'General case' 0 N--CA 1.439 -1.013 0 C-N-CA 117.6 -1.64 . . . . 19.95 107.703 178.02 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 53' ' ' ARG . . . . . 0.502 ' CZ ' ' CE1' ' C' ' 25' ' ' TYR . 17.6 mtt180 -38.16 -30.15 0.03 OUTLIER 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 124.691 1.196 . . . . 13.0 112.545 176.607 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.01 -48.75 56.84 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 114.064 1.135 . . . . 18.93 114.064 -179.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 55' ' ' LYS . . . . . 0.664 ' O ' ' HB2' ' C' ' 59' ' ' SER 0.256 0.0 OUTLIER -75.04 -20.07 59.73 Favored 'General case' 0 N--CA 1.428 -1.555 0 C-N-CA 117.17 -1.812 . . . . 22.28 113.241 -179.746 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 1.4 mt -69.01 -42.16 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.399 -3.002 0 N-CA-C 105.422 -2.066 . . . . 14.68 105.422 179.801 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . 0.259 2.9 mttp -63.75 -53.75 46.2 Favored 'General case' 0 N--CA 1.481 1.088 0 O-C-N 125.035 1.459 . . . . 23.02 108.638 179.505 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 58' ' ' LYS . . . . . 0.471 ' HB2' ' HE2' ' C' ' 58' ' ' LYS 0.315 0.0 OUTLIER -75.64 8.36 3.01 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 116.489 -2.084 . . . . 29.19 111.583 179.557 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' C' C ' 59' ' ' SER . . . . . 0.664 ' HB2' ' O ' ' C' ' 55' ' ' LYS 0.281 18.9 m . . . . . 0 C--O 1.27 2.174 0 C-N-CA 116.622 -2.031 . . . . 24.38 112.901 179.329 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 3' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.682 0 N-CA-C 108.395 -0.965 . . . . 21.34 108.395 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -59.54 136.64 72.63 Favored 'Trans proline' 0 N--CA 1.445 -1.347 0 C-N-CA 123.83 3.02 . . . . 17.41 114.285 -179.543 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 3.5 ttt-85 -57.11 131.31 49.52 Favored 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 106.363 -1.717 . . . . 23.06 106.363 178.093 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 6' ' ' THR . . . . . 0.608 ' CG2' ' H ' ' D' ' 7' ' ' ALA . 24.8 m -125.6 -175.57 3.37 Favored 'General case' 0 C--N 1.314 -0.964 0 O-C-N 120.02 -1.675 . . . . 16.7 111.53 -179.588 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 7' ' ' ALA . . . . . 0.608 ' H ' ' CG2' ' D' ' 6' ' ' THR . . . -146.68 128.71 15.53 Favored 'General case' 0 CA--C 1.484 -1.581 0 N-CA-C 107.673 -1.232 . . . . 14.74 107.673 -177.522 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 8' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -83.72 142.09 30.97 Favored 'General case' 0 CA--C 1.496 -1.122 0 O-C-N 127.373 2.921 . . . . 14.46 115.212 -176.659 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 9' ' ' SER . . . . . 0.495 ' OG ' ' HG3' ' D' ' 12' ' ' GLN . 72.4 p -76.96 163.35 26.8 Favored 'General case' 0 N--CA 1.422 -1.857 0 C-N-CA 115.596 -2.441 . . . . 17.79 104.937 -179.485 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 37.6 m -72.37 -13.64 61.52 Favored 'General case' 0 N--CA 1.431 -1.396 0 CA-C-O 123.17 1.462 . . . . 15.27 111.153 178.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . 0.264 4.5 mt-10 -77.87 -29.16 50.22 Favored 'General case' 0 CA--C 1.474 -1.949 0 CA-C-N 113.842 -1.526 . . . . 23.56 106.952 -179.344 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 12' ' ' GLN . . . . . 0.495 ' HG3' ' OG ' ' D' ' 9' ' ' SER . 58.6 mt-30 -93.19 -48.1 6.63 Favored 'General case' 0 C--O 1.185 -2.295 0 O-C-N 125.856 1.973 . . . . 14.18 109.387 -178.294 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 13' ' ' LEU . . . . . 0.479 ' O ' ' HG3' ' D' ' 17' ' ' LYS . 13.6 tp -55.93 -29.57 60.33 Favored 'General case' 0 C--N 1.285 -2.206 0 O-C-N 120.203 -1.561 . . . . 22.5 112.876 -177.42 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.52 -1.21 57.6 Favored 'General case' 0 C--O 1.2 -1.552 0 C-N-CA 118.038 -1.465 . . . . 16.57 111.792 -178.699 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 15' ' ' ARG . . . . . 0.719 ' O ' ' HG3' ' D' ' 15' ' ' ARG . 11.2 tpt85 -99.0 -21.34 16.28 Favored 'General case' 0 C--N 1.28 -2.432 0 C-N-CA 115.887 -2.325 . . . . 24.57 107.924 177.357 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 11.5 mt -73.57 -45.52 52.84 Favored 'General case' 0 N--CA 1.428 -1.548 0 N-CA-C 105.677 -1.972 . . . . 14.88 105.677 179.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 17' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' D' ' 13' ' ' LEU . 0.3 OUTLIER -69.65 -17.06 63.47 Favored 'General case' 0 C--O 1.205 -1.275 0 CA-C-O 123.611 1.672 . . . . 21.66 112.808 179.275 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . . . -88.92 -20.8 24.08 Favored 'General case' 0 C--N 1.284 -2.259 0 O-C-N 118.293 -2.754 . . . . 17.69 108.235 178.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 19' ' ' GLU . . . . . 0.693 ' OE2' ' NH2' ' D' ' 30' ' ' ARG . 20.6 mm-40 -85.26 -34.85 21.86 Favored 'General case' 0 C--O 1.197 -1.696 0 CA-C-O 122.046 0.927 . . . . 16.05 109.353 -179.354 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 20' ' ' PHE . . . . . 0.514 ' HE1' HD12 ' D' ' 56' ' ' ILE . 90.9 t80 -74.18 4.44 5.65 Favored 'General case' 0 CA--C 1.488 -1.417 0 CA-C-O 123.282 1.515 . . . . 15.28 107.316 -179.01 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 21' ' ' ASN . . . . . 0.456 ' H ' ' C ' ' D' ' 19' ' ' GLU . 0.8 OUTLIER -105.64 -24.07 12.63 Favored 'General case' 0 CA--C 1.482 -1.666 0 C-N-CA 117.824 -1.55 . . . . 21.43 110.611 -177.905 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.63 -31.12 26.39 Favored 'General case' 0 N--CA 1.429 -1.514 0 O-C-N 125.948 2.03 . . . . 18.99 109.787 179.982 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 23' ' ' ASN . . . . . . . . . . . . 0.279 43.1 t-20 -170.23 131.37 0.98 Allowed 'General case' 0 CA--C 1.496 -1.112 0 O-C-N 124.698 1.249 . . . . 14.21 108.833 -176.529 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 24' ' ' ARG . . . . . 0.621 ' CG ' HH21 ' D' ' 24' ' ' ARG . 0.0 OUTLIER -77.75 -11.68 59.9 Favored 'General case' 0 N--CA 1.419 -1.989 0 N-CA-C 117.618 2.451 . . . . 22.86 117.618 178.871 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 25' ' ' TYR . . . . . . . . . . . . 0.285 47.0 m-85 -106.12 123.9 48.73 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 119.232 -2.168 . . . . 11.35 113.912 -177.244 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 26' ' ' LEU . . . . . 0.796 HD12 ' CD2' ' D' ' 49' ' ' PHE . 0.3 OUTLIER -82.24 162.2 22.43 Favored 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 116.785 -1.966 . . . . 15.69 111.319 177.457 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.09 155.1 40.35 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 105.445 -2.057 . . . . 13.23 105.445 -179.017 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -52.83 -55.16 25.07 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 116.074 1.879 . . . . 24.3 116.074 -177.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 29' ' ' ARG . . . . . 0.78 HH21 ' HG3' ' D' ' 29' ' ' ARG . 2.6 ttt85 -64.46 -32.31 73.89 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-O 123.13 1.443 . . . . 22.27 111.046 -179.116 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 30' ' ' ARG . . . . . 0.693 ' NH2' ' OE2' ' D' ' 19' ' ' GLU 0.259 0.3 OUTLIER -80.01 -21.88 43.09 Favored 'General case' 0 N--CA 1.417 -2.085 0 CA-C-N 114.891 -1.05 . . . . 22.62 111.571 -179.892 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' D' D ' 31' ' ' ARG . . . . . 0.503 ' NH1' ' OP1' ' A' ' 17' ' ' ' DC' . 21.1 ttm105 -70.91 -43.45 68.24 Favored 'General case' 0 CA--C 1.486 -1.489 0 N-CA-C 104.809 -2.293 . . . . 16.42 104.809 177.433 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -53.99 -75.38 0.03 OUTLIER 'General case' 0 N--CA 1.425 -1.679 0 O-C-N 126.804 2.565 . . . . 20.55 107.593 176.097 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -28.54 -51.22 0.08 Allowed 'General case' 0 C--O 1.219 -0.531 0 C-N-CA 125.164 1.386 . . . . 22.41 114.224 178.526 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 34' ' ' LEU . . . . . 0.752 ' O ' ' HG ' ' D' ' 38' ' ' LEU . 93.8 mt -68.65 -29.08 67.49 Favored 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 115.735 1.754 . . . . 15.02 115.735 -179.916 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.63 -39.84 70.15 Favored 'General case' 0 C--O 1.194 -1.836 0 O-C-N 120.2 -1.563 . . . . 22.78 111.022 -179.964 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.12 -16.24 56.98 Favored 'General case' 0 N--CA 1.415 -2.181 0 CA-C-O 123.181 1.467 . . . . 16.4 107.159 179.7 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 37' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -84.55 -63.0 1.41 Allowed 'General case' 0 C--O 1.189 -2.089 0 C-N-CA 117.736 -1.586 . . . . 22.58 111.187 -179.16 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 38' ' ' LEU . . . . . 0.752 ' HG ' ' O ' ' D' ' 34' ' ' LEU . 0.4 OUTLIER -77.41 -5.48 49.91 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 125.486 1.741 . . . . 17.32 113.823 -178.904 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 39' ' ' GLY . . . . . . . . . . . . . . . 68.01 19.32 71.72 Favored Glycine 0 CA--C 1.528 0.906 0 CA-C-O 122.704 1.169 . . . . 12.33 114.477 -179.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 40' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' D' ' 40' ' ' LEU . 4.3 mt -91.53 176.81 6.41 Favored 'General case' 0 N--CA 1.419 -1.995 0 CA-C-O 124.454 2.073 . . . . 11.49 109.125 178.887 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 41' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -103.1 129.97 50.1 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 106.407 -1.701 . . . . 17.09 106.407 179.212 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -37.34 -58.07 0.86 Allowed 'General case' 0 N--CA 1.429 -1.51 0 O-C-N 125.277 1.61 . . . . 19.88 110.771 -179.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.67 -15.08 10.2 Favored 'General case' 0 C--O 1.193 -1.906 0 C-N-CA 117.121 -1.832 . . . . 9.79 114.522 -178.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -84.83 -31.42 23.83 Favored 'General case' 0 C--O 1.252 1.199 0 C-N-CA 118.503 -1.279 . . . . 11.85 110.159 -179.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 55.1 mt -70.46 -47.21 66.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 O-C-N 126.357 2.285 . . . . 12.68 107.034 179.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 46' ' ' LYS . . . . . . . . . . . . . 14.1 tttp -53.89 -44.62 70.62 Favored 'General case' 0 C--O 1.189 -2.084 0 CA-C-N 114.664 -1.153 . . . . 18.3 113.972 178.566 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 22.1 mt -77.13 -28.16 16.5 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.995 0 O-C-N 120.69 -1.256 . . . . 14.31 113.309 -179.068 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 48' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -62.98 -46.31 88.32 Favored 'General case' 0 CA--C 1.497 -1.079 0 N-CA-C 105.562 -2.014 . . . . 13.78 105.562 179.667 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 49' ' ' PHE . . . . . 0.796 ' CD2' HD12 ' D' ' 26' ' ' LEU . 3.9 m-85 -59.31 -50.63 73.25 Favored 'General case' 0 C--O 1.241 0.652 0 O-C-N 125.437 1.711 . . . . 15.55 112.647 -177.373 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -49.54 -54.56 17.36 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-O 123.342 1.544 . . . . 20.74 110.47 178.792 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 51' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -60.05 -43.74 95.18 Favored 'General case' 0 CA--C 1.484 -1.573 0 CA-C-N 112.476 -2.147 . . . . 18.09 112.018 -177.403 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -47.03 77.98 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-O 122.643 1.211 . . . . 24.39 110.101 179.769 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 53' ' ' ARG . . . . . 0.419 HH21 ' HD2' ' D' ' 53' ' ' ARG . 6.7 mtm180 -55.23 -48.93 73.21 Favored 'General case' 0 CA--C 1.484 -1.578 0 O-C-N 121.041 -1.037 . . . . 18.15 110.594 178.47 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.09 -34.86 70.62 Favored 'General case' 0 C--O 1.196 -1.751 0 CA-C-N 114.661 -1.154 . . . . 10.58 113.188 179.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 55' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -72.66 -58.43 3.36 Favored 'General case' 0 CA--C 1.49 -1.335 0 O-C-N 121.943 -0.473 . . . . 18.54 110.723 -179.468 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 56' ' ' ILE . . . . . 0.514 HD12 ' HE1' ' D' ' 20' ' ' PHE . 0.8 OUTLIER -45.06 -44.53 2.96 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.061 0 O-C-N 126.109 2.131 . . . . 20.26 109.009 -179.51 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 57' ' ' LYS . . . . . 0.655 ' O ' ' N ' ' D' ' 59' ' ' SER . 0.4 OUTLIER -46.89 -67.65 0.26 Allowed 'General case' 0 N--CA 1.439 -1.005 0 O-C-N 125.291 1.619 . . . . 20.57 109.42 178.728 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 58' ' ' LYS . . . . . 0.518 ' HG3' ' O ' ' D' ' 58' ' ' LYS 0.868 40.6 tptt -23.54 -19.99 0.0 OUTLIER 'General case' 0 C--O 1.265 1.879 1 N-CA-C 122.572 4.286 . . . . 26.33 122.572 -178.761 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' D' D ' 59' ' ' SER . . . . . 0.655 ' N ' ' O ' ' D' ' 57' ' ' LYS 0.478 72.5 p . . . . . 0 C--O 1.277 2.513 0 N-CA-C 114.519 1.303 . . . . 25.52 114.519 178.653 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ' DT' . . . . . 0.89 ' H6 ' HO5' ' A' ' 1' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.407 -1.814 0 C4'-C3'-O3' 104.427 -2.67 . . . . 22.48 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ' DT' . . . . . 0.548 " H2'" ' H71' ' A' ' 3' ' ' ' DT' . . . . . . . . 1 O3'--C3' 1.372 -4.511 2 C4'-C3'-C2' 108.429 5.229 . . . . 23.8 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ' DT' . . . . . 0.548 ' H71' " H2'" ' A' ' 2' ' ' ' DT' . . . . . . . . 0 P--O5' 1.633 3.954 2 O4'-C1'-N19 113.966 7.707 . . . . 24.45 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ' DT' . . . . . 0.447 " H4'" ' OP1' ' A' ' 5' ' ' ' DG' . . . . . . . . 1 C4'--C3' 1.571 4.292 3 O4'-C1'-N19 115.812 10.015 . . . . 23.66 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ' DG' . . . . . 0.447 ' OP1' " H4'" ' A' ' 4' ' ' ' DT' . . . . . . . . 0 P--O5' 1.626 3.279 1 P-O3'-C3' 125.617 4.931 . . . . 26.18 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ' DC' . . . . . 0.684 H2'' " O4'" ' A' ' 7' ' ' ' DC' . . . . . . . . 1 P--O5' 1.647 5.395 0 C1'-O4'-C4' 104.946 -3.396 . . . . 23.68 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ' DC' . . . . . 0.733 ' H42' ' H1 ' ' B' ' 37' ' ' ' DG' . . . . . . . . 1 O3'--C3' 1.485 4.126 2 O4'-C1'-N19 115.826 10.033 . . . . 26.27 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ' DA' . . . . . 0.706 ' C8 ' " H2'" ' A' ' 7' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.4 -2.368 3 P-O3'-C3' 109.094 -8.838 . . . . 29.16 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ' DT' . . . . . 0.591 H2'' ' C8 ' ' A' ' 10' ' ' ' DG' . . . . . . . . 0 P--OP1 1.518 1.971 5 P-O5'-C5' 107.307 -8.496 . . . . 22.41 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ' DG' . . . . . 0.591 ' C8 ' H2'' ' A' ' 9' ' ' ' DT' . . . . . . . . 1 O3'--C3' 1.374 -4.353 1 O5'-C5'-C4' 104.226 -4.267 . . . . 23.91 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ' DT' . . . . . 0.453 ' O2 ' ' NH1' ' C' ' 5' ' ' ARG . . . . . . . . 0 O4'--C1' 1.383 -2.829 4 P-O3'-C3' 130.364 8.886 . . . . 20.03 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.38 -3.912 0 O4'-C1'-N19 110.516 3.395 . . . . 20.1 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ' DA' . . . . . 0.616 " H4'" ' HD3' ' C' ' 3' ' ' ARG . . . . . . . . 0 P--O3' 1.565 -3.478 3 O4'-C1'-N19 117.837 12.546 . . . . 17.23 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ' DT' . . . . . 0.758 ' H72' HG21 ' C' ' 47' ' ' ILE . . . . . . . . 0 C5'--C4' 1.534 2.925 2 O4'-C1'-N19 113.622 7.278 . . . . 18.09 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.388 -2.452 0 P-O3'-C3' 124.258 3.798 . . . . 20.86 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.409 -1.927 1 O4'-C1'-N19 112.42 5.775 . . . . 20.84 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ' DC' . . . . . 0.503 ' OP1' ' NH1' ' D' ' 31' ' ' ARG . . . . . . . . 0 O3'--C3' 1.405 -2.025 1 P-O3'-C3' 126.867 5.972 . . . . 19.4 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ' DC' . . . . . 0.413 " C2'" " O5'" ' A' ' 19' ' ' ' DT' . . . . . . . . 2 O3'--C3' 1.347 -6.446 0 P-O3'-C3' 123.915 3.513 . . . . 17.84 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ' DT' . . . . . 0.413 " O5'" " C2'" ' A' ' 18' ' ' ' DC' . . . . . . . . 1 O3'--C3' 1.347 -6.452 1 N19-C1'-C2' 120.656 4.035 . . . . 19.47 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.401 -2.272 0 C4'-C3'-C2' 106.106 2.906 . . . . 17.95 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.217 2 O4'-C1'-N19 114.042 7.803 . . . . 22.18 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ' DA' . . . . . 0.468 H2'' " H5'" ' B' ' 23' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.536 1.842 0 O4'-C1'-N19 110.625 3.532 . . . . 20.74 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' ' DT' . . . . . 0.468 " H5'" H2'' ' B' ' 22' ' ' ' DA' . . . . . . . . 0 P--O5' 1.63 3.66 2 O4'-C1'-N19 113.958 7.698 . . . . 23.89 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.475 2.609 2 O4'-C1'-N19 113.671 7.338 . . . . 23.0 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.657 2 O4'-C1'-N19 114.019 7.773 . . . . 22.2 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ' DG' . . . . . 0.427 " O5'" " H2'" ' B' ' 26' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.388 -3.32 2 O4'-C1'-N19 119.45 14.563 . . . . 19.83 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' ' DG' . . . . . 0.643 H2'' " O5'" ' B' ' 28' ' ' ' DT' . . . . . . . . 1 O5'--C5' 1.365 -4.693 2 N19-C1'-C2' 107.078 -4.451 . . . . 17.4 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' ' DT' . . . . . 0.664 H2'' " O5'" ' B' ' 29' ' ' ' DA' . . . . . . . . 1 O3'--C3' 1.325 -8.164 2 O5'-C5'-C4' 103.003 -5.141 . . . . 16.82 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' ' DA' . . . . . 0.664 " O5'" H2'' ' B' ' 28' ' ' ' DT' . . . . . . . . 1 O3'--C3' 1.365 -5.082 2 P-O5'-C5' 110.224 -6.672 . . . . 19.07 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ' DA' . . . . . 0.508 ' C2 ' ' C2 ' ' B' ' 31' ' ' ' DT' . . . . . . . . 1 O3'--C3' 1.379 -4.016 0 O4'-C1'-C2' 102.748 -3.048 . . . . 18.62 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' ' DT' . . . . . 0.723 " H2'" ' C6 ' ' B' ' 32' ' ' ' DT' . . . . . . . . 0 P--O5' 1.63 3.689 0 O4'-C1'-N19 104.628 -3.965 . . . . 22.14 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' ' DT' . . . . . 0.723 ' C6 ' " H2'" ' B' ' 31' ' ' ' DT' . . . . . . . . 0 P--O5' 1.622 2.909 3 P-O3'-C3' 110.653 -7.539 . . . . 26.24 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.971 2 P-O5'-C5' 111.858 -5.651 . . . . 20.97 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' ' DC' . . . . . 0.51 ' N3 ' ' N1 ' ' A' ' 10' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.466 2.664 2 O4'-C1'-N19 111.862 5.077 . . . . 23.26 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' ' DA' . . . . . 0.516 ' N1 ' ' N3 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 2 O3'--C3' 1.519 6.773 2 C5'-C4'-C3' 122.463 5.175 . . . . 24.78 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' ' DT' . . . . . 0.68 H2'' ' C8 ' ' B' ' 37' ' ' ' DG' . . . . . . . . 1 P--O5' 1.635 4.154 2 O4'-C1'-N19 99.577 -10.278 . . . . 23.69 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' ' DG' . . . . . 0.733 ' H1 ' ' H42' ' A' ' 7' ' ' ' DC' . . . . . . . . 0 P--O5' 1.623 3.015 2 N19-C1'-C2' 104.81 -5.869 . . . . 24.57 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' ' DG' . . . . . 0.646 ' O6 ' ' N4 ' ' A' ' 6' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.397 -2.584 4 P-O5'-C5' 109.716 -6.99 . . . . 24.7 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' ' DC' . . . . . 0.542 H2'' " H5'" ' B' ' 40' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.382 -3.744 2 P-O5'-C5' 104.013 -10.554 . . . . 26.83 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' ' DA' . . . . . 0.542 " H5'" H2'' ' B' ' 39' ' ' ' DC' . . . . . . . . 0 P--O5' 1.618 2.545 4 P-O3'-C3' 128.004 6.92 . . . . 27.67 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.539 2.089 3 P-O5'-C5' 110.483 -6.511 . . . . 21.0 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.502 -2.569 1 O4'-C1'-N19 112.463 5.829 . . . . 19.52 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' ARG . . . . . 0.616 ' HD3' " H4'" ' A' ' 13' ' ' ' DA' . 37.8 ttm180 . . . . . 0 C--O 1.266 1.965 0 N-CA-C 115.402 1.63 . . . . 23.83 115.402 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -96.45 82.42 0.09 OUTLIER 'Trans proline' 0 CA--C 1.548 1.186 0 C-N-CA 123.188 2.592 . . . . 23.94 109.308 177.114 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' ARG . . . . . 0.453 ' NH1' ' O2 ' ' A' ' 11' ' ' ' DT' . 0.0 OUTLIER -75.83 107.06 7.76 Favored 'General case' 0 C--N 1.368 1.401 0 N-CA-C 108.344 -0.984 . . . . 26.53 108.344 -177.658 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' THR . . . . . 0.599 HG21 ' CE1' ' C' ' 8' ' ' PHE . 2.2 m -57.19 146.1 29.3 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 120.437 1.471 . . . . 17.14 110.667 179.614 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' ALA . . . . . 0.454 ' N ' ' CG2' ' C' ' 6' ' ' THR . . . -111.77 125.56 54.13 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 113.879 -1.509 . . . . 16.67 107.011 178.159 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' PHE . . . . . 0.599 ' CE1' HG21 ' C' ' 6' ' ' THR . 21.8 m-85 -95.95 143.84 26.78 Favored 'General case' 0 C--O 1.247 0.962 0 C-N-CA 116.77 -1.972 . . . . 18.43 113.408 -179.384 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' SER . . . . . 0.773 ' OG ' ' HG3' ' C' ' 12' ' ' GLN . 1.5 p -76.94 143.64 39.37 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 114.303 -1.317 . . . . 19.95 110.265 -179.277 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 94.4 p -49.55 -26.15 3.28 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-O 118.417 -0.802 . . . . 23.26 110.762 177.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -91.56 -7.83 49.14 Favored 'General case' 0 N--CA 1.438 -1.036 0 O-C-N 124.747 1.279 . . . . 28.57 113.77 179.78 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' GLN . . . . . 0.773 ' HG3' ' OG ' ' C' ' 9' ' ' SER . 89.1 mt-30 -91.9 -54.03 4.03 Favored 'General case' 0 N--CA 1.434 -1.268 0 N-CA-C 104.763 -2.31 . . . . 19.84 104.763 -179.549 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' LEU . . . . . 0.563 ' O ' ' HG3' ' C' ' 17' ' ' LYS . 20.2 mt -49.94 -24.36 2.5 Favored 'General case' 0 CA--C 1.498 -1.028 0 CA-C-O 122.887 1.327 . . . . 15.77 109.716 178.281 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.1 -48.41 20.81 Favored 'General case' 0 N--CA 1.428 -1.573 0 CA-C-O 115.809 -2.043 . . . . 14.97 115.679 179.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . 0.287 41.8 ttt85 -73.73 -24.22 59.87 Favored 'General case' 0 CA--C 1.498 -1.038 0 O-C-N 125.528 1.768 . . . . 30.77 112.15 179.163 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' LEU . . . . . 0.437 ' HA ' HD23 ' C' ' 16' ' ' LEU . 15.6 mt -65.9 -63.49 1.07 Allowed 'General case' 0 N--CA 1.416 -2.125 0 N-CA-C 105.716 -1.957 . . . . 11.92 105.716 175.082 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' LYS . . . . . 0.563 ' HG3' ' O ' ' C' ' 13' ' ' LEU . 0.7 OUTLIER -45.53 -55.57 6.08 Favored 'General case' 0 C--O 1.183 -2.426 0 C-N-CA 124.542 1.137 . . . . 23.21 110.029 177.545 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . . . -52.85 -30.59 34.6 Favored 'General case' 0 C--N 1.289 -2.061 0 CA-C-O 123.54 1.638 . . . . 11.92 114.912 179.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -82.78 -25.03 33.16 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 111.861 -2.427 . . . . 17.73 113.938 -175.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' C' ' 52' ' ' LYS . 19.2 t80 -80.31 -24.05 40.21 Favored 'General case' 0 N--CA 1.423 -1.804 0 CA-C-O 122.292 1.044 . . . . 18.03 111.147 179.117 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -70.82 -51.95 23.53 Favored 'General case' 0 CA--C 1.452 -2.807 0 CA-C-N 114.973 -1.012 . . . . 13.36 111.598 -176.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . 0.256 5.2 tt0 -66.72 -39.29 87.95 Favored 'General case' 0 C--N 1.275 -2.659 0 O-C-N 126.557 2.41 . . . . 22.22 112.761 -177.992 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 23' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -150.25 105.52 3.36 Favored 'General case' 0 C--O 1.2 -1.517 0 O-C-N 126.467 2.354 . . . . 20.62 114.574 -178.15 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 24' ' ' ARG . . . . . 0.428 ' H ' ' HG2' ' C' ' 24' ' ' ARG . 0.1 OUTLIER -81.86 -1.04 46.22 Favored 'General case' 0 CA--C 1.499 -1.007 0 C-N-CA 126.959 2.104 . . . . 12.71 116.253 -176.653 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 25' ' ' TYR . . . . . 0.502 ' CE1' ' CZ ' ' C' ' 53' ' ' ARG . 20.6 m-85 -124.16 114.36 19.55 Favored 'General case' 0 N--CA 1.434 -1.246 0 CA-C-O 123.84 1.781 . . . . 11.64 109.647 177.865 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.685 HD11 HG22 ' C' ' 45' ' ' ILE . 3.5 mt -75.27 137.36 41.14 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 116.455 2.02 . . . . 18.13 116.455 -178.451 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.74 171.36 8.37 Favored 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 119.184 -2.197 . . . . 14.95 107.887 176.791 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.06 -51.27 56.64 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 114.551 -2.86 . . . . 17.23 109.381 178.231 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 29' ' ' ARG . . . . . 0.749 ' O ' ' HG3' ' C' ' 33' ' ' GLN . 65.3 ttt180 -44.72 -53.98 6.73 Favored 'General case' 0 C--O 1.246 0.92 0 O-C-N 124.923 1.389 . . . . 30.5 109.748 176.752 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 30' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -67.44 -34.8 77.95 Favored 'General case' 0 N--CA 1.425 -1.686 0 CA-C-O 122.092 0.948 . . . . 31.22 110.621 179.525 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 31' ' ' ARG . . . . . 0.826 ' HD2' ' HB3' ' C' ' 42' ' ' GLU . 0.0 OUTLIER -68.53 -28.15 66.73 Favored 'General case' 0 CA--C 1.477 -1.854 0 C-N-CA 114.955 -2.698 . . . . 16.01 108.379 -178.578 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 32' ' ' GLN . . . . . 0.648 ' HG2' ' OE1' ' C' ' 42' ' ' GLU . 13.6 mt-30 -73.79 -62.47 1.48 Allowed 'General case' 0 CA--C 1.483 -1.63 0 O-C-N 125.766 1.916 . . . . 18.28 112.136 -177.897 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 33' ' ' GLN . . . . . 0.749 ' HG3' ' O ' ' C' ' 29' ' ' ARG . 5.9 mt-30 -41.0 -49.89 3.31 Favored 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 126.244 2.215 . . . . 17.68 113.867 179.095 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.564 HD23 ' N ' ' C' ' 34' ' ' LEU . 0.4 OUTLIER -51.83 -39.61 59.1 Favored 'General case' 0 CA--C 1.489 -1.399 0 O-C-N 121.855 -0.528 . . . . 15.92 110.991 179.62 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 35' ' ' SER . . . . . 0.476 ' HB2' ' O ' ' C' ' 32' ' ' GLN . 0.2 OUTLIER -52.2 -62.86 1.37 Allowed 'General case' 0 C--O 1.241 0.609 0 O-C-N 125.054 1.471 . . . . 13.44 111.901 178.145 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 36' ' ' SER . . . . . 0.485 ' HB2' ' O ' ' C' ' 33' ' ' GLN 0.374 0.5 OUTLIER -38.68 -74.64 0.04 OUTLIER 'General case' 0 CA--C 1.479 -1.755 0 O-C-N 126.09 2.119 . . . . 17.66 108.661 178.372 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -45.85 -57.28 4.46 Favored 'General case' 0 C--O 1.22 -0.462 1 O-C-N 129.178 4.049 . . . . 20.01 117.445 179.66 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 9.0 mt -83.81 -10.62 57.93 Favored 'General case' 0 C--N 1.309 -1.193 0 C-N-CA 117.286 -1.766 . . . . 15.93 112.874 -177.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.25 52.17 54.85 Favored Glycine 0 N--CA 1.441 -0.999 0 O-C-N 125.726 1.891 . . . . 14.87 111.204 -179.292 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 12.6 mt -132.31 156.98 45.6 Favored 'General case' 0 N--CA 1.435 -1.221 0 N-CA-C 104.015 -2.587 . . . . 12.82 104.015 177.171 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 41' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' C' ' 43' ' ' ALA . 3.9 m-80 -84.83 140.13 31.41 Favored 'General case' 0 C--N 1.344 0.331 0 N-CA-C 114.697 1.369 . . . . 15.76 114.697 -179.877 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 42' ' ' GLU . . . . . 0.826 ' HB3' ' HD2' ' C' ' 31' ' ' ARG . 0.4 OUTLIER -51.25 -7.5 0.04 OUTLIER 'General case' 0 C--O 1.185 -2.333 0 N-CA-C 113.719 1.007 . . . . 17.99 113.719 -178.223 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 43' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' C' ' 41' ' ' ASN . . . -96.86 -22.92 16.62 Favored 'General case' 0 C--N 1.281 -2.41 0 C-N-CA 115.747 -2.381 . . . . 14.3 112.309 -178.038 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -84.41 -26.28 28.43 Favored 'General case' 0 C--O 1.195 -1.789 0 C-N-CA 117.467 -1.693 . . . . 21.4 110.091 178.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 45' ' ' ILE . . . . . 0.685 HG22 HD11 ' C' ' 26' ' ' LEU . 23.6 mt -73.52 -29.28 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.149 0 N-CA-C 104.757 -2.312 . . . . 15.36 104.757 179.537 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 46' ' ' LYS . . . . . 0.578 ' NZ ' ' OE1' ' C' ' 50' ' ' GLN . 0.0 OUTLIER -62.78 -66.54 0.53 Allowed 'General case' 0 C--O 1.19 -2.065 0 CA-C-N 113.987 -1.461 . . . . 20.16 108.256 179.068 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.758 HG21 ' H72' ' A' ' 14' ' ' ' DT' . 0.1 OUTLIER -56.63 -29.92 30.77 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.701 0 O-C-N 119.026 -2.296 . . . . 14.24 115.733 179.856 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 48' ' ' TRP . . . . . 0.446 ' HE3' ' CD2' ' C' ' 49' ' ' PHE . 62.8 t90 -58.68 -56.92 15.92 Favored 'General case' 0 CA--C 1.487 -1.472 0 CA-C-N 120.034 1.288 . . . . 14.66 108.775 -178.71 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 49' ' ' PHE . . . . . 0.446 ' CD2' ' HE3' ' C' ' 48' ' ' TRP . 4.8 m-85 -56.34 -39.73 73.32 Favored 'General case' 0 N--CA 1.432 -1.336 0 O-C-N 125.163 1.54 . . . . 15.0 111.482 -179.619 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 50' ' ' GLN . . . . . 0.578 ' OE1' ' NZ ' ' C' ' 46' ' ' LYS . 12.9 mt-30 -58.98 -51.67 69.05 Favored 'General case' 0 C--O 1.199 -1.602 0 O-C-N 120.661 -1.274 . . . . 17.19 108.341 179.797 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 51' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -63.96 -33.6 76.09 Favored 'General case' 0 N--CA 1.429 -1.515 0 C-N-CA 124.33 1.052 . . . . 15.51 111.827 -178.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 52' ' ' LYS . . . . . 0.576 ' HB3' ' CE2' ' C' ' 20' ' ' PHE . 5.9 tptm -61.33 -66.34 0.55 Allowed 'General case' 0 N--CA 1.439 -1.013 0 C-N-CA 117.6 -1.64 . . . . 19.95 107.703 178.02 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 53' ' ' ARG . . . . . 0.502 ' CZ ' ' CE1' ' C' ' 25' ' ' TYR . 17.6 mtt180 -38.16 -30.15 0.03 OUTLIER 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 124.691 1.196 . . . . 13.0 112.545 176.607 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.01 -48.75 56.84 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 114.064 1.135 . . . . 18.93 114.064 -179.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 55' ' ' LYS . . . . . 0.664 ' O ' ' HB2' ' C' ' 59' ' ' SER 0.256 0.0 OUTLIER -75.04 -20.07 59.73 Favored 'General case' 0 N--CA 1.428 -1.555 0 C-N-CA 117.17 -1.812 . . . . 22.28 113.241 -179.746 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 1.4 mt -69.01 -42.16 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.399 -3.002 0 N-CA-C 105.422 -2.066 . . . . 14.68 105.422 179.801 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . 0.259 2.9 mttp -63.75 -53.75 46.2 Favored 'General case' 0 N--CA 1.481 1.088 0 O-C-N 125.035 1.459 . . . . 23.02 108.638 179.505 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 58' ' ' LYS . . . . . 0.471 ' HB2' ' HE2' ' C' ' 58' ' ' LYS 0.315 0.0 OUTLIER -75.64 8.36 3.01 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 116.489 -2.084 . . . . 29.19 111.583 179.557 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' C' C ' 59' ' ' SER . . . . . 0.664 ' HB2' ' O ' ' C' ' 55' ' ' LYS 0.281 18.9 m . . . . . 0 C--O 1.27 2.174 0 C-N-CA 116.622 -2.031 . . . . 24.38 112.901 179.329 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 3' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.682 0 N-CA-C 108.395 -0.965 . . . . 21.34 108.395 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -59.54 136.64 72.63 Favored 'Trans proline' 0 N--CA 1.445 -1.347 0 C-N-CA 123.83 3.02 . . . . 17.41 114.285 -179.543 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 3.5 ttt-85 -57.11 131.31 49.52 Favored 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 106.363 -1.717 . . . . 23.06 106.363 178.093 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 6' ' ' THR . . . . . 0.608 ' CG2' ' H ' ' D' ' 7' ' ' ALA . 24.8 m -125.6 -175.57 3.37 Favored 'General case' 0 C--N 1.314 -0.964 0 O-C-N 120.02 -1.675 . . . . 16.7 111.53 -179.588 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 7' ' ' ALA . . . . . 0.608 ' H ' ' CG2' ' D' ' 6' ' ' THR . . . -146.68 128.71 15.53 Favored 'General case' 0 CA--C 1.484 -1.581 0 N-CA-C 107.673 -1.232 . . . . 14.74 107.673 -177.522 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 8' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -83.72 142.09 30.97 Favored 'General case' 0 CA--C 1.496 -1.122 0 O-C-N 127.373 2.921 . . . . 14.46 115.212 -176.659 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 9' ' ' SER . . . . . 0.495 ' OG ' ' HG3' ' D' ' 12' ' ' GLN . 72.4 p -76.96 163.35 26.8 Favored 'General case' 0 N--CA 1.422 -1.857 0 C-N-CA 115.596 -2.441 . . . . 17.79 104.937 -179.485 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 37.6 m -72.37 -13.64 61.52 Favored 'General case' 0 N--CA 1.431 -1.396 0 CA-C-O 123.17 1.462 . . . . 15.27 111.153 178.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . 0.264 4.5 mt-10 -77.87 -29.16 50.22 Favored 'General case' 0 CA--C 1.474 -1.949 0 CA-C-N 113.842 -1.526 . . . . 23.56 106.952 -179.344 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 12' ' ' GLN . . . . . 0.495 ' HG3' ' OG ' ' D' ' 9' ' ' SER . 58.6 mt-30 -93.19 -48.1 6.63 Favored 'General case' 0 C--O 1.185 -2.295 0 O-C-N 125.856 1.973 . . . . 14.18 109.387 -178.294 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 13' ' ' LEU . . . . . 0.479 ' O ' ' HG3' ' D' ' 17' ' ' LYS . 13.6 tp -55.93 -29.57 60.33 Favored 'General case' 0 C--N 1.285 -2.206 0 O-C-N 120.203 -1.561 . . . . 22.5 112.876 -177.42 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.52 -1.21 57.6 Favored 'General case' 0 C--O 1.2 -1.552 0 C-N-CA 118.038 -1.465 . . . . 16.57 111.792 -178.699 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 15' ' ' ARG . . . . . 0.719 ' O ' ' HG3' ' D' ' 15' ' ' ARG . 11.2 tpt85 -99.0 -21.34 16.28 Favored 'General case' 0 C--N 1.28 -2.432 0 C-N-CA 115.887 -2.325 . . . . 24.57 107.924 177.357 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 11.5 mt -73.57 -45.52 52.84 Favored 'General case' 0 N--CA 1.428 -1.548 0 N-CA-C 105.677 -1.972 . . . . 14.88 105.677 179.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 17' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' D' ' 13' ' ' LEU . 0.3 OUTLIER -69.65 -17.06 63.47 Favored 'General case' 0 C--O 1.205 -1.275 0 CA-C-O 123.611 1.672 . . . . 21.66 112.808 179.275 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . . . -88.92 -20.8 24.08 Favored 'General case' 0 C--N 1.284 -2.259 0 O-C-N 118.293 -2.754 . . . . 17.69 108.235 178.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 19' ' ' GLU . . . . . 0.693 ' OE2' ' NH2' ' D' ' 30' ' ' ARG . 20.6 mm-40 -85.26 -34.85 21.86 Favored 'General case' 0 C--O 1.197 -1.696 0 CA-C-O 122.046 0.927 . . . . 16.05 109.353 -179.354 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.514 ' HE1' HD12 ' D' ' 56' ' ' ILE . 90.9 t80 -74.18 4.44 5.65 Favored 'General case' 0 CA--C 1.488 -1.417 0 CA-C-O 123.282 1.515 . . . . 15.28 107.316 -179.01 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 21' ' ' ASN . . . . . 0.456 ' H ' ' C ' ' D' ' 19' ' ' GLU . 0.8 OUTLIER -105.64 -24.07 12.63 Favored 'General case' 0 CA--C 1.482 -1.666 0 C-N-CA 117.824 -1.55 . . . . 21.43 110.611 -177.905 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.63 -31.12 26.39 Favored 'General case' 0 N--CA 1.429 -1.514 0 O-C-N 125.948 2.03 . . . . 18.99 109.787 179.982 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 23' ' ' ASN . . . . . . . . . . . . 0.279 43.1 t-20 -170.23 131.37 0.98 Allowed 'General case' 0 CA--C 1.496 -1.112 0 O-C-N 124.698 1.249 . . . . 14.21 108.833 -176.529 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 24' ' ' ARG . . . . . 0.621 ' CG ' HH21 ' D' ' 24' ' ' ARG . 0.0 OUTLIER -77.75 -11.68 59.9 Favored 'General case' 0 N--CA 1.419 -1.989 0 N-CA-C 117.618 2.451 . . . . 22.86 117.618 178.871 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 25' ' ' TYR . . . . . . . . . . . . 0.285 47.0 m-85 -106.12 123.9 48.73 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 119.232 -2.168 . . . . 11.35 113.912 -177.244 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 26' ' ' LEU . . . . . 0.796 HD12 ' CD2' ' D' ' 49' ' ' PHE . 0.3 OUTLIER -82.24 162.2 22.43 Favored 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 116.785 -1.966 . . . . 15.69 111.319 177.457 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.09 155.1 40.35 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 105.445 -2.057 . . . . 13.23 105.445 -179.017 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -52.83 -55.16 25.07 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 116.074 1.879 . . . . 24.3 116.074 -177.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 29' ' ' ARG . . . . . 0.78 HH21 ' HG3' ' D' ' 29' ' ' ARG . 2.6 ttt85 -64.46 -32.31 73.89 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-O 123.13 1.443 . . . . 22.27 111.046 -179.116 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 30' ' ' ARG . . . . . 0.693 ' NH2' ' OE2' ' D' ' 19' ' ' GLU 0.259 0.3 OUTLIER -80.01 -21.88 43.09 Favored 'General case' 0 N--CA 1.417 -2.085 0 CA-C-N 114.891 -1.05 . . . . 22.62 111.571 -179.892 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' D' D ' 31' ' ' ARG . . . . . 0.503 ' NH1' ' OP1' ' A' ' 17' ' ' ' DC' . 21.1 ttm105 -70.91 -43.45 68.24 Favored 'General case' 0 CA--C 1.486 -1.489 0 N-CA-C 104.809 -2.293 . . . . 16.42 104.809 177.433 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -53.99 -75.38 0.03 OUTLIER 'General case' 0 N--CA 1.425 -1.679 0 O-C-N 126.804 2.565 . . . . 20.55 107.593 176.097 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 33' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -28.54 -51.22 0.08 Allowed 'General case' 0 C--O 1.219 -0.531 0 C-N-CA 125.164 1.386 . . . . 22.41 114.224 178.526 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.752 ' O ' ' HG ' ' D' ' 38' ' ' LEU . 93.8 mt -68.65 -29.08 67.49 Favored 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 115.735 1.754 . . . . 15.02 115.735 -179.916 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.63 -39.84 70.15 Favored 'General case' 0 C--O 1.194 -1.836 0 O-C-N 120.2 -1.563 . . . . 22.78 111.022 -179.964 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.12 -16.24 56.98 Favored 'General case' 0 N--CA 1.415 -2.181 0 CA-C-O 123.181 1.467 . . . . 16.4 107.159 179.7 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 37' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -84.55 -63.0 1.41 Allowed 'General case' 0 C--O 1.189 -2.089 0 C-N-CA 117.736 -1.586 . . . . 22.58 111.187 -179.16 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.752 ' HG ' ' O ' ' D' ' 34' ' ' LEU . 0.4 OUTLIER -77.41 -5.48 49.91 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 125.486 1.741 . . . . 17.32 113.823 -178.904 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 39' ' ' GLY . . . . . . . . . . . . . . . 68.01 19.32 71.72 Favored Glycine 0 CA--C 1.528 0.906 0 CA-C-O 122.704 1.169 . . . . 12.33 114.477 -179.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 40' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' D' ' 40' ' ' LEU . 4.3 mt -91.53 176.81 6.41 Favored 'General case' 0 N--CA 1.419 -1.995 0 CA-C-O 124.454 2.073 . . . . 11.49 109.125 178.887 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 41' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -103.1 129.97 50.1 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 106.407 -1.701 . . . . 17.09 106.407 179.212 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -37.34 -58.07 0.86 Allowed 'General case' 0 N--CA 1.429 -1.51 0 O-C-N 125.277 1.61 . . . . 19.88 110.771 -179.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.67 -15.08 10.2 Favored 'General case' 0 C--O 1.193 -1.906 0 C-N-CA 117.121 -1.832 . . . . 9.79 114.522 -178.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -84.83 -31.42 23.83 Favored 'General case' 0 C--O 1.252 1.199 0 C-N-CA 118.503 -1.279 . . . . 11.85 110.159 -179.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 55.1 mt -70.46 -47.21 66.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 O-C-N 126.357 2.285 . . . . 12.68 107.034 179.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 46' ' ' LYS . . . . . . . . . . . . . 14.1 tttp -53.89 -44.62 70.62 Favored 'General case' 0 C--O 1.189 -2.084 0 CA-C-N 114.664 -1.153 . . . . 18.3 113.972 178.566 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 22.1 mt -77.13 -28.16 16.5 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.995 0 O-C-N 120.69 -1.256 . . . . 14.31 113.309 -179.068 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 48' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -62.98 -46.31 88.32 Favored 'General case' 0 CA--C 1.497 -1.079 0 N-CA-C 105.562 -2.014 . . . . 13.78 105.562 179.667 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 49' ' ' PHE . . . . . 0.796 ' CD2' HD12 ' D' ' 26' ' ' LEU . 3.9 m-85 -59.31 -50.63 73.25 Favored 'General case' 0 C--O 1.241 0.652 0 O-C-N 125.437 1.711 . . . . 15.55 112.647 -177.373 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 50' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -49.54 -54.56 17.36 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-O 123.342 1.544 . . . . 20.74 110.47 178.792 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 51' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -60.05 -43.74 95.18 Favored 'General case' 0 CA--C 1.484 -1.573 0 CA-C-N 112.476 -2.147 . . . . 18.09 112.018 -177.403 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -47.03 77.98 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-O 122.643 1.211 . . . . 24.39 110.101 179.769 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 53' ' ' ARG . . . . . 0.419 HH21 ' HD2' ' D' ' 53' ' ' ARG . 6.7 mtm180 -55.23 -48.93 73.21 Favored 'General case' 0 CA--C 1.484 -1.578 0 O-C-N 121.041 -1.037 . . . . 18.15 110.594 178.47 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.09 -34.86 70.62 Favored 'General case' 0 C--O 1.196 -1.751 0 CA-C-N 114.661 -1.154 . . . . 10.58 113.188 179.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 55' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -72.66 -58.43 3.36 Favored 'General case' 0 CA--C 1.49 -1.335 0 O-C-N 121.943 -0.473 . . . . 18.54 110.723 -179.468 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 56' ' ' ILE . . . . . 0.514 HD12 ' HE1' ' D' ' 20' ' ' PHE . 0.8 OUTLIER -45.06 -44.53 2.96 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.061 0 O-C-N 126.109 2.131 . . . . 20.26 109.009 -179.51 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 57' ' ' LYS . . . . . 0.655 ' O ' ' N ' ' D' ' 59' ' ' SER . 0.4 OUTLIER -46.89 -67.65 0.26 Allowed 'General case' 0 N--CA 1.439 -1.005 0 O-C-N 125.291 1.619 . . . . 20.57 109.42 178.728 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 58' ' ' LYS . . . . . 0.518 ' HG3' ' O ' ' D' ' 58' ' ' LYS 0.868 40.6 tptt -23.54 -19.99 0.0 OUTLIER 'General case' 0 C--O 1.265 1.879 1 N-CA-C 122.572 4.286 . . . . 26.33 122.572 -178.761 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' D' D ' 59' ' ' SER . . . . . 0.655 ' N ' ' O ' ' D' ' 57' ' ' LYS 0.478 72.5 p . . . . . 0 C--O 1.277 2.513 0 N-CA-C 114.519 1.303 . . . . 25.52 114.519 178.653 . . . . . . . . 2 2 . 1 stop_ save_