data_6l6y_residue ############################ # Computer software used # ############################ 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 6l6y _Structure_validation_residue.Date_analyzed 2020-11-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 0' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.289 0 C4'-C3'-C2' 99.598 -3.602 . . . . 112.03 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.381 -3.704 0 P-O3'-C3' 121.705 1.671 . . . . 62.54 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ' DT' . . . . . 0.402 ' N3 ' ' N1 ' ' B' ' 15' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.4 -2.52 0 OP1-P-OP2 123.094 2.33 . . . . 68.24 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.195 0 O4'-C1'-N19 110.487 3.358 . . . . 58.14 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.415 -1.577 0 O4'-C1'-N19 110.626 3.532 . . . . 59.83 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ' DC' . . . . . 0.689 ' O2 ' ' N2 ' ' B' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.404 -2.259 0 O5'-P-OP2 102.68 -2.082 . . . . 56.01 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ' DT' . . . . . 0.419 ' N3 ' ' N1 ' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.534 1.553 0 OP1-P-O3' 100.606 -2.123 . . . . 37.85 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ' DA' . . . . . 0.61 ' N1 ' ' N3 ' ' B' ' 10' ' ' ' DT' . . . . . . . . 0 P--O5' 1.627 3.398 0 O4'-C1'-N19 110.492 3.365 . . . . 28.93 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.54 2.246 0 OP1-P-OP2 116.023 -2.384 . . . . 36.6 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ' DT' . . . . . 0.492 ' N3 ' ' N1 ' ' B' ' 8' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.553 3.456 0 OP1-P-OP2 124.714 3.41 . . . . 35.35 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.361 -5.373 1 OP1-P-OP2 126.333 4.488 . . . . 34.57 . . . . . . . . . . 2 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.381 -3.691 0 OP1-P-OP2 123.978 2.918 . . . . 40.55 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ' DC' . . . . . 0.412 ' O2 ' ' N2 ' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.385 -3.446 0 C1'-O4'-C4' 105.286 -3.153 . . . . 42.07 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 O5'--C5' 1.349 -5.683 0 O4'-C4'-C3' 102.32 -3.28 . . . . 43.69 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ' DT' . . . . . 0.544 ' C2 ' ' N7 ' ' A' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.409 -1.936 1 C4'-C3'-C2' 98.255 -4.945 . . . . 91.1 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ' DG' . . . . . 0.745 ' C2 ' ' C2 ' ' B' ' 3' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.541 3.726 0 P-O3'-C3' 124.22 3.767 . . . . 145.86 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 O3'--C3' 1.549 9.059 2 O4'-C1'-N19 120.867 16.334 . . . . 125.67 . . . . . . . . . . 2 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.56 6.157 1 N19-C1'-C2' 107.097 -4.439 . . . . 124.71 . . . . . . . . . . 2 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ' DA' . . . . . 0.745 ' C2 ' ' C2 ' ' A' ' 15' ' ' ' DG' . . . . . . . . 1 O3'--C3' 1.494 4.879 1 C4'-C3'-C2' 99.158 -4.042 . . . . 105.91 . . . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ' DG' . . . . . 0.573 ' C4 ' ' C2 ' ' B' ' 3' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.536 0 O4'-C1'-N19 110.366 3.207 . . . . 68.38 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.412 ' N2 ' ' O2 ' ' A' ' 12' ' ' ' DC' . . . . . . . . 1 O3'--C3' 1.358 -5.619 0 O4'-C1'-C2' 108.876 2.524 . . . . 68.18 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ' DA' . . . . . 0.426 ' N3 ' ' OH ' ' D' ' 137' ' ' TYR . . . . . . . . 1 O3'--C3' 1.358 -5.654 0 OP1-P-OP2 123.758 2.772 . . . . 48.3 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.385 -3.413 0 O4'-C1'-N19 110.75 3.688 . . . . 34.77 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' ' DA' . . . . . 0.492 ' N1 ' ' N3 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.39 -3.104 0 O4'-C1'-N19 109.476 2.094 . . . . 31.34 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.38 -3.753 0 OP1-P-OP2 123.454 2.569 . . . . 29.28 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ' DT' . . . . . 0.61 ' N3 ' ' N1 ' ' A' ' 7' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.395 -2.748 0 O4'-C1'-N19 109.49 2.113 . . . . 31.36 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ' DA' . . . . . 0.419 ' N1 ' ' N3 ' ' A' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.377 -3.909 0 OP1-P-OP2 123.921 2.881 . . . . 27.88 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ' DG' . . . . . 0.689 ' N2 ' ' O2 ' ' A' ' 5' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.38 -3.894 0 P-O5'-C5' 117.52 -2.113 . . . . 30.47 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.392 -3.013 0 OP1-P-OP2 122.191 1.728 . . . . 39.72 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.395 -2.838 0 OP1-P-OP2 122.262 1.775 . . . . 39.56 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' ' DA' . . . . . 0.402 ' N1 ' ' N3 ' ' A' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.411 -1.841 0 O4'-C1'-N19 108.71 1.138 . . . . 50.87 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.521 1.201 0 O4'-C1'-N19 110.207 3.009 . . . . 64.76 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.572 0 CA-C-O 121.332 0.407 . . . . 51.0 113.991 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 3.1 t -136.31 141.2 43.79 Favored 'General case' 0 N--CA 1.448 -0.527 0 O-C-N 121.659 -0.907 . . . . 31.6 110.569 -173.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 64' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -110.23 -15.26 14.02 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 114.919 -1.037 . . . . 35.08 111.941 178.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 40.4 p -93.24 -8.19 42.97 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 118.605 -0.712 . . . . 29.0 112.319 -178.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 66' ' ' SER . . . . . . . . . . . . . 34.2 m -71.79 116.35 12.07 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 118.2 0.454 . . . . 32.13 111.455 174.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 67' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -45.73 145.77 1.3 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.11 0.481 . . . . 32.33 111.011 165.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 68' ' ' ILE . . . . . . . . . . . . . 81.5 mt -128.25 126.83 66.65 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.628 0 N-CA-C 107.07 -1.456 . . . . 46.62 107.07 173.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 69' ' ' ARG . . . . . 0.547 ' NH1' ' OE1' ' F' ' 127' ' ' GLN . 0.6 OUTLIER -110.31 140.19 44.73 Favored 'General case' 0 C--O 1.24 0.59 0 C-N-CA 119.681 -0.808 . . . . 30.65 110.637 -173.355 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' D' D ' 70' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -57.55 139.23 81.29 Favored Pre-proline 0 C--O 1.237 0.406 0 CA-C-N 115.188 -0.914 . . . . 26.39 110.299 -175.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 71' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -67.04 150.65 82.59 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 N-CA-C 109.096 -1.155 . . . . 35.62 109.096 178.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 72' ' ' MET . . . . . . . . . . . . . 4.9 ptt? -90.05 133.06 35.06 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 117.424 -1.71 . . . . 24.97 110.535 -170.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 73' ' ' ASN . . . . . . . . . . . . . 30.3 p30 -68.86 179.18 1.88 Allowed 'General case' 0 C--O 1.236 0.377 0 CA-C-O 122.053 0.93 . . . . 20.9 110.516 -179.181 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.64 -34.92 73.42 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.598 -0.728 . . . . 22.25 111.418 -173.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 75' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -63.05 -49.4 74.7 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 118.751 -1.18 . . . . 28.55 110.278 -179.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 76' ' ' MET . . . . . . . . . . . . . 22.1 mmt -65.37 -33.26 75.55 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 112.578 0.584 . . . . 39.72 112.578 -174.492 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 77' ' ' VAL . . . . . . . . . . . . . 24.6 t -64.41 -43.68 97.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-O 120.821 0.343 . . . . 34.98 110.876 175.141 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 78' ' ' TRP . . . . . . . . . . . . . 46.1 t90 -71.83 -40.46 69.08 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 122.124 -0.36 . . . . 40.84 110.777 177.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.24 -29.93 69.7 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 112.272 0.471 . . . . 43.28 112.272 -179.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -55.83 -52.32 64.44 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 118.411 -1.316 . . . . 33.14 110.047 179.171 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 81' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -73.94 -39.13 64.0 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 112.79 0.663 . . . . 40.72 112.79 -178.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 82' ' ' GLU . . . . . 0.457 ' OE2' ' NH2' ' D' ' 85' ' ' ARG . 4.6 mm-40 -69.39 -38.02 77.79 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 118.781 -1.167 . . . . 33.78 111.073 179.554 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 83' ' ' ARG . . . . . 0.716 ' NH2' ' OG ' ' D' ' 99' ' ' SER . 9.9 ttm105 -60.13 -44.85 94.6 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 118.449 -1.3 . . . . 35.44 109.774 -177.511 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 84' ' ' LYS . . . . . . . . . . . . . 54.5 tttt -55.8 -48.0 76.14 Favored 'General case' 0 C--O 1.231 0.107 0 O-C-N 122.041 -0.412 . . . . 44.59 111.006 170.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 85' ' ' ARG . . . . . 0.457 ' NH2' ' OE2' ' D' ' 82' ' ' GLU . 6.8 tmm_? -63.49 -37.41 87.2 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 121.781 -0.575 . . . . 62.53 111.97 -175.117 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 57.7 mt -73.59 -35.11 65.36 Favored 'General case' 0 CA--C 1.52 -0.185 0 C-N-CA 119.009 -1.076 . . . . 23.11 111.375 172.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.34 -29.83 71.07 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 119.403 -0.919 . . . . 29.29 112.368 -178.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -62.92 -60.43 3.48 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 119.956 -0.698 . . . . 95.55 110.251 171.183 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 89' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -67.54 -0.07 3.52 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 113.789 1.033 . . . . 74.36 113.789 -176.492 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 90' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -152.87 64.58 5.35 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 120.375 1.443 . . . . 41.47 108.411 -176.218 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 91' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -80.2 -12.02 13.16 Favored 'Trans proline' 0 C--O 1.24 0.608 0 N-CA-C 114.706 1.002 . . . . 41.84 114.706 -159.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 92' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -79.05 -23.6 44.14 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 118.938 0.79 . . . . 62.03 112.081 170.374 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 93' ' ' LEU . . . . . . . . . . . . . 11.0 mt -67.43 138.22 56.48 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-O 121.474 0.654 . . . . 37.67 111.787 -171.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 94' ' ' HIS . . . . . . . . . . . . . 37.4 t-80 -77.81 159.41 29.01 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 126.828 2.051 . . . . 23.97 109.674 178.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 95' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -71.89 -22.31 61.52 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 115.22 -2.592 . . . . 30.82 111.397 -177.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.57 -43.09 95.02 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.798 -0.361 . . . . 24.31 110.421 174.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -68.87 -32.37 71.98 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 120.216 -0.594 . . . . 61.54 111.309 173.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 98' ' ' LEU . . . . . . . . . . . . . 82.2 mt -71.4 -31.84 67.72 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 118.396 -1.321 . . . . 27.07 110.735 -178.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 99' ' ' SER . . . . . 0.716 ' OG ' ' NH2' ' D' ' 83' ' ' ARG . 2.2 m -65.19 -40.1 93.75 Favored 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 120.274 -0.57 . . . . 38.57 110.447 178.12 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 100' ' ' LYS . . . . . . . . . . . . . 7.6 mttm -62.01 -32.61 73.11 Favored 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 119.028 -1.069 . . . . 28.71 110.162 177.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 101' ' ' MET . . . . . . . . . . . . . 59.4 mtp -68.07 -42.53 80.28 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 117.632 -1.627 . . . . 34.06 110.911 174.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 102' ' ' LEU . . . . . . . . . . . . . 7.3 mt -66.65 -45.2 79.76 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 121.822 -0.549 . . . . 22.92 111.568 -172.304 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 103' ' ' GLY . . . . . . . . . . . . . . . -57.56 -39.28 90.63 Favored Glycine 0 C--O 1.238 0.392 0 C-N-CA 120.091 -1.052 . . . . 25.94 112.443 179.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 104' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -66.16 -42.16 89.39 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 116.888 0.344 . . . . 29.38 111.391 175.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 105' ' ' SER . . . . . . . . . . . . . 14.8 m -65.27 -37.69 87.98 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 118.959 -1.097 . . . . 41.25 110.929 177.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 106' ' ' TRP . . . . . . . . . . . . . 72.5 t-105 -71.09 -35.81 71.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.178 -0.465 . . . . 51.35 111.366 -176.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 107' ' ' LYS . . . . . . . . . . . . . 5.3 tptt -57.33 -38.61 74.34 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 119.267 -0.973 . . . . 42.21 110.913 172.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 108' ' ' ALA . . . . . . . . . . . . . . . -76.87 -2.7 34.79 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 113.593 0.96 . . . . 34.5 113.593 -170.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 109' ' ' LEU . . . . . . . . . . . . . 12.8 mt -91.01 127.06 36.28 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 118.843 0.747 . . . . 28.96 109.507 -175.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 110' ' ' THR . . . . . . . . . . . . . 8.6 m -47.18 143.49 3.19 Favored 'General case' 0 N--CA 1.453 -0.325 0 O-C-N 123.861 0.726 . . . . 47.39 110.43 168.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 111' ' ' LEU . . . . . . . . . . . . . 4.6 mt -53.22 -34.78 58.51 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 119.792 -0.763 . . . . 39.77 111.33 168.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.28 -40.32 70.89 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 119.512 -0.875 . . . . 33.16 111.221 170.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 113' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -76.72 -22.46 53.86 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 119.228 -0.415 . . . . 33.23 112.024 -176.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 114' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -88.74 -20.84 24.26 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.287 -0.565 . . . . 34.46 112.464 -179.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 115' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -56.87 -35.04 31.05 Favored Pre-proline 0 C--O 1.243 0.714 0 CA-C-O 117.777 -1.106 . . . . 81.26 113.842 -175.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 116' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -63.85 -39.77 31.76 Favored 'Trans proline' 0 N--CA 1.478 0.594 0 CA-C-N 121.9 1.714 . . . . 39.04 112.971 177.338 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 117' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -70.22 -30.62 67.75 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.244 -0.582 . . . . 35.93 111.733 174.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 118' ' ' VAL . . . . . . . . . . . . . 41.3 t -62.64 -46.28 96.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 C-N-CA 119.485 -0.886 . . . . 35.3 110.326 173.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 119' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -62.55 -35.8 80.62 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 121.894 -0.504 . . . . 87.81 111.152 -179.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 120' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -73.31 -35.96 66.18 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 119.054 -1.058 . . . . 63.72 111.363 179.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 121' ' ' ALA . . . . . . . . . . . . . . . -60.4 -40.76 92.11 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.366 -0.534 . . . . 34.91 111.34 172.601 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 122' ' ' LYS . . . . . . . . . . . . . 3.2 tttm -56.71 -51.51 68.53 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 120.49 -0.484 . . . . 50.48 110.93 175.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 123' ' ' ARG . . . . . . . . . . . . . 10.2 mtt85 -53.49 -47.93 69.4 Favored 'General case' 0 C--N 1.346 0.424 0 CA-C-O 120.998 0.427 . . . . 71.47 111.358 -177.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 124' ' ' LEU . . . . . . . . . . . . . 2.6 mp -50.18 -59.23 4.13 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 123.38 0.672 . . . . 33.87 112.255 175.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 125' ' ' ARG . . . . . . . . . . . . . 2.8 ttm-85 -57.24 -43.5 82.99 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 120.7 0.286 . . . . 78.18 111.058 -176.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 2.3 t -61.23 -37.57 77.82 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 CA-C-O 121.108 0.48 . . . . 38.86 110.817 176.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 127' ' ' GLN . . . . . 0.542 ' OE1' ' NE2' ' D' ' 130' ' ' GLN . 50.3 tp60 -73.89 -37.17 64.78 Favored 'General case' 0 C--O 1.237 0.395 0 O-C-N 121.586 -0.697 . . . . 58.85 111.342 175.012 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 128' ' ' HIS . . . . . . . . . . . . . 59.9 t60 -57.48 -30.28 64.95 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.972 -0.455 . . . . 35.89 110.534 175.13 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 129' ' ' MET . . . . . . . . . . . . . 56.6 mtt -67.14 -56.93 7.87 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 121.029 -0.269 . . . . 88.46 110.972 178.438 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 130' ' ' GLN . . . . . 0.542 ' NE2' ' OE1' ' D' ' 127' ' ' GLN . 38.6 mt-30 -47.47 -47.18 27.41 Favored 'General case' 0 C--O 1.238 0.464 0 O-C-N 121.918 -0.489 . . . . 49.46 111.832 179.509 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 131' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -70.61 -31.1 67.95 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 112.372 0.508 . . . . 50.52 112.372 -174.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 132' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -135.67 88.37 23.96 Favored Pre-proline 0 C--O 1.239 0.514 0 N-CA-C 107.527 -1.286 . . . . 53.37 107.527 -179.692 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 133' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -86.99 -21.11 2.14 Favored 'Trans proline' 0 C--N 1.315 -1.236 0 N-CA-C 113.765 0.64 . . . . 48.41 113.765 -152.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 134' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -113.55 32.1 6.03 Favored 'General case' 0 CA--C 1.519 -0.227 0 C-N-CA 122.975 0.51 . . . . 41.43 110.422 172.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 135' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -64.19 134.02 54.01 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.14 0.495 . . . . 54.68 112.022 -174.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 136' ' ' LYS . . . . . . . . . . . . . 10.9 mtmm -122.98 132.48 54.16 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 108.266 -1.013 . . . . 59.57 108.266 171.52 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 137' ' ' TYR . . . . . 0.426 ' OH ' ' N3 ' ' B' ' 6' ' ' ' DA' . 6.2 t80 -78.66 123.87 27.58 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 108.738 -0.838 . . . . 37.18 108.738 -179.831 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 138' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -125.47 92.36 46.99 Favored Pre-proline 0 C--O 1.24 0.602 0 C-N-CA 123.694 0.798 . . . . 52.62 110.604 -176.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 139' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -63.23 143.37 89.44 Favored 'Trans proline' 0 C--N 1.322 -0.851 0 CA-C-N 118.53 0.511 . . . . 43.89 110.906 173.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 140' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.71 171.1 13.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.718 0.771 . . . . 81.71 110.049 179.302 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 141' ' ' ARG . . . . . . . . . . . . . 6.2 ttp85 . . . . . 0 C--N 1.324 -0.526 0 CA-C-N 115.998 -0.546 . . . . 73.63 112.282 173.726 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 0' ' ' ' DG' . . . . . 0.636 ' C2 ' ' C4 ' ' C' ' 1' ' ' ' DG' . . . . . . . . 1 O5'--C5' 1.362 -4.895 1 O4'-C1'-N19 114.208 8.011 . . . . 166.84 . . . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' ' DG' . . . . . 0.87 ' N1 ' ' N3 ' ' E' ' 16' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.389 -3.246 0 O4'-C1'-N19 110.035 2.793 . . . . 126.99 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.534 1.635 0 O4'-C1'-N19 110.005 2.757 . . . . 92.01 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.399 -2.579 0 O4'-C1'-N19 109.582 2.228 . . . . 97.29 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.409 -1.922 0 O4'-C1'-N19 109.048 1.56 . . . . 96.57 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.389 -2.365 0 O4'-C1'-N19 110.015 2.769 . . . . 100.48 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' ' DT' . . . . . 0.609 ' N3 ' ' N1 ' ' E' ' 11' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.409 -1.699 0 O4'-C1'-C2' 108.061 1.783 . . . . 94.58 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.718 0 O4'-C1'-C2' 108.523 2.202 . . . . 99.56 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' ' DT' . . . . . 0.507 ' O4 ' ' N6 ' ' E' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.4 -2.515 0 O4'-C1'-N19 109.289 1.862 . . . . 71.59 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.393 -2.957 0 OP2-P-O3' 113.234 1.542 . . . . 65.13 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.385 -3.453 0 O4'-C1'-N19 106.71 -1.363 . . . . 45.67 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.546 2.769 0 O4'-C1'-N19 105.923 -2.346 . . . . 54.64 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' ' DC' . . . . . 0.513 ' O2 ' ' N2 ' ' E' ' 5' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.388 -3.298 0 P-O3'-C3' 122.505 2.338 . . . . 52.49 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.404 -2.229 0 P-O5'-C5' 117.322 -2.236 . . . . 54.68 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.409 -1.663 0 C3'-C2'-C1' 98.952 -2.677 . . . . 63.51 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.956 0 O5'-C5'-C4' 112.289 1.492 . . . . 64.84 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.395 -2.799 0 O5'-C5'-C4' 112.292 1.494 . . . . 59.26 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.401 -2.302 0 C3'-C2'-C1' 100.033 -1.905 . . . . 63.5 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.041 0 C5'-C4'-C3' 116.858 1.439 . . . . 72.52 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.399 -2.464 0 OP1-P-OP2 121.808 1.472 . . . . 78.77 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 5' ' ' ' DG' . . . . . 0.513 ' N2 ' ' O2 ' ' C' ' 12' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.541 2.329 0 C4'-C3'-C2' 104.801 1.601 . . . . 89.81 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.65 0 O5'-C5'-C4' 111.919 1.228 . . . . 68.43 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.397 -2.624 0 C3'-C2'-C1' 99.087 -2.581 . . . . 56.9 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.362 -5.339 0 O4'-C1'-C2' 108.436 2.124 . . . . 61.21 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 9' ' ' ' DA' . . . . . 0.507 ' N6 ' ' O4 ' ' C' ' 8' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.383 -3.659 0 C4'-C3'-C2' 106.18 2.98 . . . . 56.16 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.541 2.338 0 OP1-P-OP2 123.053 2.302 . . . . 63.25 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 11' ' ' ' DA' . . . . . 0.609 ' N1 ' ' N3 ' ' C' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.397 -2.697 0 C3'-C2'-C1' 97.659 -3.601 . . . . 84.49 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 12' ' ' ' DG' . . . . . 0.412 ' C6 ' ' C6 ' ' E' ' 13' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.409 -1.709 0 C3'-C2'-C1' 99.357 -2.388 . . . . 108.3 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 13' ' ' ' DA' . . . . . 0.494 ' C2 ' ' C6 ' ' E' ' 14' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.522 1.437 0 C3'-C2'-C1' 99.681 -2.156 . . . . 136.63 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 14' ' ' ' DG' . . . . . 0.555 ' C6 ' ' C2 ' ' E' ' 15' ' ' ' DA' . . . . . . . . 0 P--O5' 1.615 2.223 0 C4'-C3'-C2' 100.964 -2.236 . . . . 146.24 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 15' ' ' ' DA' . . . . . 0.555 ' C2 ' ' C6 ' ' E' ' 14' ' ' ' DG' . . . . . . . . 1 O3'--C3' 1.511 6.133 1 O4'-C1'-N19 111.313 4.392 . . . . 149.66 . . . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' E' E ' 16' ' ' ' DC' . . . . . 0.87 ' N3 ' ' N1 ' ' C' ' 1' ' ' ' DG' . . . . . . . . 4 C5'--C4' 1.584 9.105 0 O5'-C5'-C4' 114.99 3.421 . . . . 155.69 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' F' F ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.193 0 N-CA-C 112.202 -0.359 . . . . 105.7 112.202 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 63' ' ' SER . . . . . . . . . . . . . 1.2 m -67.69 150.36 48.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.142 0.496 . . . . 85.22 110.07 -178.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 64' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -102.98 129.56 49.77 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 116.571 -0.286 . . . . 53.32 111.289 -169.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 65' ' ' THR . . . . . . . . . . . . . 3.7 m -113.44 118.29 34.1 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.56 -1.274 . . . . 33.77 107.56 -176.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 66' ' ' SER . . . . . . . . . . . . . 3.9 p -72.41 -61.11 1.91 Allowed 'General case' 0 C--O 1.236 0.37 0 C-N-CA 118.962 -1.095 . . . . 67.36 111.352 -170.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 67' ' ' ARG . . . . . . . . . . . . . 3.2 ptt180 -129.8 160.42 33.51 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.526 0.679 . . . . 59.58 109.827 172.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 68' ' ' ILE . . . . . . . . . . . . . 15.7 mt -113.25 124.22 69.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 107.919 -1.141 . . . . 41.88 107.919 -174.277 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 69' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -73.82 151.69 40.48 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.628 0.728 . . . . 67.81 110.741 -179.369 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 70' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -73.94 139.01 76.27 Favored Pre-proline 0 C--N 1.344 0.366 0 CA-C-N 115.559 -0.746 . . . . 42.06 110.596 170.156 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 71' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -61.36 145.45 98.25 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 120.097 0.531 . . . . 32.4 111.108 176.234 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 72' ' ' MET . . . . . . . . . . . . . 2.7 mtt -70.97 141.23 51.04 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 119.279 -0.969 . . . . 44.72 109.834 177.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 73' ' ' ASN . . . . . . . . . . . . . 26.7 p30 -81.31 177.96 8.67 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 122.128 0.966 . . . . 37.03 110.215 171.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.55 -37.3 75.42 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 115.083 -0.962 . . . . 34.7 111.393 -178.239 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 75' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -59.93 -53.66 55.2 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 119.221 -0.992 . . . . 41.81 110.609 177.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 76' ' ' MET . . . . . . . . . . . . . 5.3 mmm -63.1 -38.73 92.34 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 119.885 -0.726 . . . . 40.47 111.713 -173.393 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 77' ' ' VAL . . . . . . . . . . . . . 20.2 t -58.65 -44.06 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 C-N-CA 119.7 -0.8 . . . . 27.66 111.187 172.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 78' ' ' TRP . . . . . . . . . . . . . 69.9 t90 -64.47 -35.8 82.13 Favored 'General case' 0 C--O 1.244 0.806 0 C-N-CA 119.41 -0.916 . . . . 47.54 111.019 178.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.61 -39.17 64.77 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 112.048 0.388 . . . . 50.88 112.048 -175.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 80' ' ' LYS . . . . . . . . . . . . . 56.4 tttt -44.13 -41.42 5.63 Favored 'General case' 0 C--O 1.236 0.37 0 O-C-N 122.255 -0.278 . . . . 48.92 111.389 -174.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 81' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -93.46 -33.67 13.72 Favored 'General case' 0 CA--C 1.517 -0.322 0 C-N-CA 124.066 0.946 . . . . 60.7 113.161 -179.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 82' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -70.91 -33.23 70.33 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.482 -0.887 . . . . 50.07 110.862 177.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 83' ' ' ARG . . . . . 0.635 ' NH2' ' OG ' ' F' ' 99' ' ' SER . 14.6 ttm105 -68.29 -44.94 74.38 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 120.454 -0.498 . . . . 63.84 110.686 178.652 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' F' F ' 84' ' ' LYS . . . . . . . . . . . . . 14.8 mmtp -59.26 -41.03 87.87 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 120.842 -0.343 . . . . 72.97 110.886 173.304 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 85' ' ' ARG . . . . . 0.51 ' NH1' ' OE1' ' F' ' 89' ' ' GLN . 1.1 tmm_? -73.1 -41.37 64.13 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 120.929 -0.308 . . . . 65.45 111.276 -176.626 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' F' F ' 86' ' ' LEU . . . . . . . . . . . . . 21.3 mt -67.61 -25.68 65.87 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 120.518 -0.473 . . . . 68.45 111.866 176.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 87' ' ' ALA . . . . . . . . . . . . . . . -78.34 -39.66 38.85 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 111.609 0.226 . . . . 84.69 111.609 -176.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -47.96 -58.03 4.95 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.238 -0.585 . . . . 105.19 111.229 168.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 89' ' ' GLN . . . . . 0.51 ' OE1' ' NH1' ' F' ' 85' ' ' ARG . 2.5 mt-30 -63.95 -32.27 73.74 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 119.502 -0.879 . . . . 87.94 111.916 -179.328 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' F' F ' 90' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -122.45 73.49 40.99 Favored Pre-proline 0 C--O 1.24 0.594 0 N-CA-C 109.158 -0.682 . . . . 95.53 109.158 -173.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 91' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -84.08 -19.03 4.93 Favored 'Trans proline' 0 C--O 1.239 0.568 0 N-CA-C 114.043 0.747 . . . . 99.61 114.043 -169.213 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 92' ' ' ASP . . . . . 0.495 ' N ' ' OD1' ' F' ' 92' ' ' ASP . 9.2 p-10 -72.78 -32.97 65.99 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 118.321 0.51 . . . . 115.71 112.075 178.099 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' F' F ' 93' ' ' LEU . . . . . . . . . . . . . 70.0 mt -72.25 132.28 43.86 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 112.654 0.613 . . . . 108.91 112.654 -161.156 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 94' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -49.01 145.12 4.2 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.445 -0.798 . . . . 112.21 109.38 171.276 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' F' F ' 95' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -68.58 -33.52 74.21 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 119.647 -0.821 . . . . 84.67 111.766 -171.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.51 -31.21 71.93 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 111.857 0.317 . . . . 85.51 111.857 -175.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 97' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -71.52 -38.76 71.08 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 120.203 -0.599 . . . . 91.65 110.833 177.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 98' ' ' LEU . . . . . . . . . . . . . 16.0 mt -50.73 -41.82 56.71 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.688 -0.405 . . . . 86.08 110.824 177.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 99' ' ' SER . . . . . 0.635 ' OG ' ' NH2' ' F' ' 83' ' ' ARG . 4.6 m -57.65 -39.63 77.45 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.179 -0.608 . . . . 69.85 111.043 179.389 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' F' F ' 100' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -63.47 -31.46 72.63 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.996 -0.682 . . . . 73.64 111.441 177.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 101' ' ' MET . . . . . . . . . . . . . 25.7 mtm -68.14 -52.39 35.28 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 120.261 -0.576 . . . . 91.8 110.587 174.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 102' ' ' LEU . . . . . . . . . . . . . 3.4 mt -59.0 -29.64 67.39 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 120.621 -0.432 . . . . 62.92 111.439 -176.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 103' ' ' GLY . . . . . . . . . . . . . . . -69.05 -52.99 20.78 Favored Glycine 0 C--N 1.335 0.521 0 C-N-CA 120.721 -0.752 . . . . 56.7 113.228 -176.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 104' ' ' LYS . . . . . . . . . . . . . 24.2 ttmt -68.63 -31.38 70.49 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 118.19 -1.404 . . . . 76.01 111.278 178.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 105' ' ' SER . . . . . . . . . . . . . 2.0 t -60.64 -58.8 6.92 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.339 0.59 . . . . 65.95 110.851 175.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 106' ' ' TRP . . . . . . . . . . . . . 13.5 t-105 -56.26 -40.68 74.58 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.267 -0.424 . . . . 47.35 111.564 -179.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 107' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -76.75 22.02 0.19 Allowed 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 118.167 -1.413 . . . . 70.11 110.924 176.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 108' ' ' ALA . . . . . . . . . . . . . . . -131.9 22.67 4.58 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 122.902 0.481 . . . . 41.44 111.467 174.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 109' ' ' LEU . . . . . . . . . . . . . 4.0 mt -115.57 147.34 40.84 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.121 -1.066 . . . . 36.62 108.121 177.044 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 110' ' ' THR . . . . . . . . . . . . . 5.9 m -52.85 157.09 1.77 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.738 -0.664 . . . . 46.43 111.054 173.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 111' ' ' LEU . . . . . . . . . . . . . 14.8 mt -68.99 -21.22 64.16 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 118.56 -1.256 . . . . 48.45 110.657 166.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 112' ' ' ALA . . . . . . . . . . . . . . . -76.43 -42.38 44.27 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-N 118.136 0.426 . . . . 36.35 110.557 169.041 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 113' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -61.76 -16.41 49.28 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 118.897 -0.573 . . . . 61.29 112.439 175.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 114' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -121.81 8.56 9.98 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 118.755 0.707 . . . . 39.54 112.72 175.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 115' ' ' ARG . . . . . . . . . . . . . 40.2 ttp85 -55.87 -47.35 98.94 Favored Pre-proline 0 C--O 1.245 0.86 0 CA-C-O 117.9 -1.047 . . . . 60.19 112.827 172.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 116' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -63.31 -25.4 71.61 Favored 'Trans proline' 0 C--N 1.348 0.55 0 CA-C-N 121.191 1.461 . . . . 26.01 114.534 -175.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 117' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -78.66 -26.35 45.06 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 119.547 -0.861 . . . . 36.7 111.7 174.761 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 118' ' ' VAL . . . . . . . . . . . . . 89.5 t -63.36 -41.72 93.75 Favored 'Isoleucine or valine' 0 C--O 1.242 0.668 0 C-N-CA 118.633 -1.227 . . . . 24.22 109.528 168.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 119' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -66.34 -37.56 85.63 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 119.456 -0.898 . . . . 70.95 110.999 -175.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 120' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -67.45 -48.66 66.59 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 120.749 -0.38 . . . . 44.9 111.588 179.056 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 121' ' ' ALA . . . . . . . . . . . . . . . -54.51 -46.13 73.44 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 119.642 -0.823 . . . . 34.67 111.043 176.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.18 -60.03 2.33 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 113.209 0.818 . . . . 39.88 113.209 165.791 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' F' F ' 123' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -53.76 -48.54 69.62 Favored 'General case' 0 C--O 1.242 0.659 0 C-N-CA 120.324 -0.551 . . . . 36.66 109.876 -173.543 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 124' ' ' LEU . . . . . . . . . . . . . 1.5 mp -65.52 -47.71 74.99 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-N 115.674 -0.694 . . . . 43.64 111.315 179.038 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 125' ' ' ARG . . . . . . . . . . . . . 31.0 ttm105 -55.66 -39.45 70.94 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 118.41 -1.316 . . . . 62.13 111.655 178.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 126' ' ' VAL . . . . . . . . . . . . . 51.6 t -68.44 -38.86 79.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 119.859 -0.737 . . . . 30.12 111.01 177.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 127' ' ' GLN . . . . . 0.547 ' OE1' ' NH1' ' D' ' 69' ' ' ARG . 1.1 tt0 -67.54 -30.78 70.52 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.635 -0.426 . . . . 41.97 111.654 174.539 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' F' F ' 128' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -64.87 -42.98 94.38 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.814 0.34 . . . . 39.44 110.56 175.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 129' ' ' MET . . . . . . . . . . . . . 4.0 tpt -54.27 -42.17 69.66 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 116.305 -0.407 . . . . 68.33 111.027 174.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 130' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -66.22 -46.01 78.71 Favored 'General case' 0 CA--C 1.515 -0.391 0 C-N-CA 120.704 -0.398 . . . . 73.33 111.101 177.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 131' ' ' ASP . . . . . 0.504 ' OD1' ' NH1' ' D' ' 69' ' ' ARG . 11.6 m-20 -56.7 -42.36 79.01 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 120.873 0.368 . . . . 30.48 111.189 -178.879 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' F' F ' 132' ' ' HIS . . . . . . . . . . . . . 35.0 m-70 -119.1 85.05 28.74 Favored Pre-proline 0 C--O 1.241 0.647 0 C-N-CA 122.552 0.341 . . . . 36.29 111.23 -175.385 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 133' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -51.73 133.45 44.8 Favored 'Trans proline' 0 CA--C 1.513 -0.55 0 C-N-CA 120.787 0.991 . . . . 36.44 111.451 -177.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 134' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 55.72 42.16 29.58 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.169 -0.923 . . . . 72.27 111.158 174.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 135' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -57.39 142.9 42.14 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.574 0.702 . . . . 56.99 111.314 179.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 136' ' ' LYS . . . . . . . . . . . . . 2.6 mmtm -135.74 115.64 13.12 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 107.852 -1.166 . . . . 62.59 107.852 179.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 137' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -74.42 108.05 6.95 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 119.268 -0.973 . . . . 52.96 109.078 176.432 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 138' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -111.57 94.2 22.36 Favored Pre-proline 0 C--O 1.238 0.457 0 N-CA-C 108.984 -0.746 . . . . 88.09 108.984 179.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 139' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -82.68 143.48 12.0 Favored 'Trans proline' 0 C--N 1.333 -0.262 0 CA-C-N 119.129 0.725 . . . . 55.8 111.293 176.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 140' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -92.31 158.86 15.88 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.765 0.793 . . . . 154.58 111.247 -176.248 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 141' ' ' ARG . . . . . . . . . . . . . 12.4 ttp-105 . . . . . 0 CA--C 1.522 -0.124 0 CA-C-N 114.697 -1.138 . . . . 96.82 109.329 174.536 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 201' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 0' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.289 0 C4'-C3'-C2' 99.598 -3.602 . . . . 112.03 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.381 -3.704 0 P-O3'-C3' 121.705 1.671 . . . . 62.54 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.4 -2.52 0 OP1-P-OP2 123.094 2.33 . . . . 68.24 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.195 0 O4'-C1'-N19 110.487 3.358 . . . . 58.14 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.415 -1.577 0 O4'-C1'-N19 110.626 3.532 . . . . 59.83 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ' DC' . . . . . 0.624 ' O2 ' ' N2 ' ' B' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.404 -2.259 0 O5'-P-OP2 102.68 -2.082 . . . . 56.01 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.534 1.553 0 OP1-P-O3' 100.606 -2.123 . . . . 37.85 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.398 0 O4'-C1'-N19 110.492 3.365 . . . . 28.93 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.54 2.246 0 OP1-P-OP2 116.023 -2.384 . . . . 36.6 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.553 3.456 0 OP1-P-OP2 124.714 3.41 . . . . 35.35 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.361 -5.373 1 OP1-P-OP2 126.333 4.488 . . . . 34.57 . . . . . . . . . . 2 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ' DT' . . . . . 0.413 H2'' ' C6 ' ' A' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.381 -3.691 0 OP1-P-OP2 123.978 2.918 . . . . 40.55 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ' DC' . . . . . 0.413 ' C6 ' H2'' ' A' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.385 -3.446 0 C1'-O4'-C4' 105.286 -3.153 . . . . 42.07 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ' DC' . . . . . 0.721 " H2'" ' C6 ' ' A' ' 14' ' ' ' DT' . . . . . . . . 2 O5'--C5' 1.349 -5.683 0 O4'-C4'-C3' 102.32 -3.28 . . . . 43.69 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ' DT' . . . . . 0.721 ' C6 ' " H2'" ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.409 -1.936 1 C4'-C3'-C2' 98.255 -4.945 . . . . 91.1 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ' DG' . . . . . 0.745 ' C2 ' ' C2 ' ' B' ' 3' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.541 3.726 0 P-O3'-C3' 124.22 3.767 . . . . 145.86 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 O3'--C3' 1.549 9.059 2 O4'-C1'-N19 120.867 16.334 . . . . 125.67 . . . . . . . . . . 2 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' ' DC' . . . . . 0.425 H2'' " H5'" ' B' ' 3' ' ' ' DA' . . . . . . . . 2 C5'--C4' 1.56 6.157 1 N19-C1'-C2' 107.097 -4.439 . . . . 124.71 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ' DA' . . . . . 0.745 ' C2 ' ' C2 ' ' A' ' 15' ' ' ' DG' . . . . . . . . 1 O3'--C3' 1.494 4.879 1 C4'-C3'-C2' 99.158 -4.042 . . . . 105.91 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ' DG' . . . . . 0.573 ' C4 ' ' C2 ' ' B' ' 3' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.536 0 O4'-C1'-N19 110.366 3.207 . . . . 68.38 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ' DG' . . . . . 0.45 " O5'" H2'' ' B' ' 4' ' ' ' DG' . . . . . . . . 1 O3'--C3' 1.358 -5.619 0 O4'-C1'-C2' 108.876 2.524 . . . . 68.18 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.358 -5.654 0 OP1-P-OP2 123.758 2.772 . . . . 48.3 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.385 -3.413 0 O4'-C1'-N19 110.75 3.688 . . . . 34.77 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.39 -3.104 0 O4'-C1'-N19 109.476 2.094 . . . . 31.34 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.38 -3.753 0 OP1-P-OP2 123.454 2.569 . . . . 29.28 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.395 -2.748 0 O4'-C1'-N19 109.49 2.113 . . . . 31.36 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ' DA' . . . . . 0.431 H2'' ' C8 ' ' B' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.377 -3.909 0 OP1-P-OP2 123.921 2.881 . . . . 27.88 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ' DG' . . . . . 0.624 ' N2 ' ' O2 ' ' A' ' 5' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.38 -3.894 0 P-O5'-C5' 117.52 -2.113 . . . . 30.47 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.392 -3.013 0 OP1-P-OP2 122.191 1.728 . . . . 39.72 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.395 -2.838 0 OP1-P-OP2 122.262 1.775 . . . . 39.56 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.411 -1.841 0 O4'-C1'-N19 108.71 1.138 . . . . 50.87 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.521 1.201 0 O4'-C1'-N19 110.207 3.009 . . . . 64.76 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.572 0 CA-C-O 121.332 0.407 . . . . 51.0 113.991 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 3.1 t -136.31 141.2 43.79 Favored 'General case' 0 N--CA 1.448 -0.527 0 O-C-N 121.659 -0.907 . . . . 31.6 110.569 -173.297 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 64' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -110.23 -15.26 14.02 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 114.919 -1.037 . . . . 35.08 111.941 178.696 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 40.4 p -93.24 -8.19 42.97 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 118.605 -0.712 . . . . 29.0 112.319 -178.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 66' ' ' SER . . . . . . . . . . . . . 34.2 m -71.79 116.35 12.07 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 118.2 0.454 . . . . 32.13 111.455 174.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 67' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -45.73 145.77 1.3 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.11 0.481 . . . . 32.33 111.011 165.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 68' ' ' ILE . . . . . 0.633 HD12 ' HB2' ' F' ' 63' ' ' SER . 81.5 mt -128.25 126.83 66.65 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.628 0 N-CA-C 107.07 -1.456 . . . . 46.62 107.07 173.196 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 69' ' ' ARG . . . . . 0.547 ' NH1' ' OE1' ' F' ' 127' ' ' GLN . 0.6 OUTLIER -110.31 140.19 44.73 Favored 'General case' 0 C--O 1.24 0.59 0 C-N-CA 119.681 -0.808 . . . . 30.65 110.637 -173.355 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 70' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -57.55 139.23 81.29 Favored Pre-proline 0 C--O 1.237 0.406 0 CA-C-N 115.188 -0.914 . . . . 26.39 110.299 -175.767 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 71' ' ' PRO . . . . . 0.606 ' HG3' ' CG ' ' D' ' 128' ' ' HIS . 3.0 Cg_exo -67.04 150.65 82.59 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 N-CA-C 109.096 -1.155 . . . . 35.62 109.096 178.095 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 72' ' ' MET . . . . . 0.507 ' HB2' ' HB2' ' D' ' 76' ' ' MET . 4.9 ptt? -90.05 133.06 35.06 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 117.424 -1.71 . . . . 24.97 110.535 -170.999 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 73' ' ' ASN . . . . . . . . . . . . . 30.3 p30 -68.86 179.18 1.88 Allowed 'General case' 0 C--O 1.236 0.377 0 CA-C-O 122.053 0.93 . . . . 20.9 110.516 -179.181 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.64 -34.92 73.42 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.598 -0.728 . . . . 22.25 111.418 -173.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 75' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -63.05 -49.4 74.7 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 118.751 -1.18 . . . . 28.55 110.278 -179.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 76' ' ' MET . . . . . 0.507 ' HB2' ' HB2' ' D' ' 72' ' ' MET . 22.1 mmt -65.37 -33.26 75.55 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 112.578 0.584 . . . . 39.72 112.578 -174.492 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 77' ' ' VAL . . . . . . . . . . . . . 24.6 t -64.41 -43.68 97.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-O 120.821 0.343 . . . . 34.98 110.876 175.141 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 78' ' ' TRP . . . . . 0.604 ' HD1' ' CZ ' ' D' ' 117' ' ' PHE . 46.1 t90 -71.83 -40.46 69.08 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 122.124 -0.36 . . . . 40.84 110.777 177.423 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.24 -29.93 69.7 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 112.272 0.471 . . . . 43.28 112.272 -179.957 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -55.83 -52.32 64.44 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 118.411 -1.316 . . . . 33.14 110.047 179.171 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 81' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -73.94 -39.13 64.0 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 112.79 0.663 . . . . 40.72 112.79 -178.478 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 82' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -69.39 -38.02 77.79 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 118.781 -1.167 . . . . 33.78 111.073 179.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 83' ' ' ARG . . . . . 0.716 ' NH2' ' OG ' ' D' ' 99' ' ' SER . 9.9 ttm105 -60.13 -44.85 94.6 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 118.449 -1.3 . . . . 35.44 109.774 -177.511 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 84' ' ' LYS . . . . . . . . . . . . . 54.5 tttt -55.8 -48.0 76.14 Favored 'General case' 0 C--O 1.231 0.107 0 O-C-N 122.041 -0.412 . . . . 44.59 111.006 170.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 85' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -63.49 -37.41 87.2 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 121.781 -0.575 . . . . 62.53 111.97 -175.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 86' ' ' LEU . . . . . 0.476 HD13 ' HE1' ' D' ' 101' ' ' MET . 57.7 mt -73.59 -35.11 65.36 Favored 'General case' 0 CA--C 1.52 -0.185 0 C-N-CA 119.009 -1.076 . . . . 23.11 111.375 172.557 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.34 -29.83 71.07 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 119.403 -0.919 . . . . 29.29 112.368 -178.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -62.92 -60.43 3.48 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 119.956 -0.698 . . . . 95.55 110.251 171.183 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 89' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -67.54 -0.07 3.52 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 113.789 1.033 . . . . 74.36 113.789 -176.492 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 90' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -152.87 64.58 5.35 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 120.375 1.443 . . . . 41.47 108.411 -176.218 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 91' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -80.2 -12.02 13.16 Favored 'Trans proline' 0 C--O 1.24 0.608 0 N-CA-C 114.706 1.002 . . . . 41.84 114.706 -159.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 92' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -79.05 -23.6 44.14 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 118.938 0.79 . . . . 62.03 112.081 170.374 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 93' ' ' LEU . . . . . 0.425 ' HA ' HD23 ' D' ' 93' ' ' LEU . 11.0 mt -67.43 138.22 56.48 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-O 121.474 0.654 . . . . 37.67 111.787 -171.651 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 94' ' ' HIS . . . . . . . . . . . . . 37.4 t-80 -77.81 159.41 29.01 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 126.828 2.051 . . . . 23.97 109.674 178.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 95' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -71.89 -22.31 61.52 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 115.22 -2.592 . . . . 30.82 111.397 -177.02 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.57 -43.09 95.02 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.798 -0.361 . . . . 24.31 110.421 174.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -68.87 -32.37 71.98 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 120.216 -0.594 . . . . 61.54 111.309 173.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 98' ' ' LEU . . . . . . . . . . . . . 82.2 mt -71.4 -31.84 67.72 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 118.396 -1.321 . . . . 27.07 110.735 -178.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 99' ' ' SER . . . . . 0.716 ' OG ' ' NH2' ' D' ' 83' ' ' ARG . 2.2 m -65.19 -40.1 93.75 Favored 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 120.274 -0.57 . . . . 38.57 110.447 178.12 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 100' ' ' LYS . . . . . . . . . . . . . 7.6 mttm -62.01 -32.61 73.11 Favored 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 119.028 -1.069 . . . . 28.71 110.162 177.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 101' ' ' MET . . . . . 0.476 ' HE1' HD13 ' D' ' 86' ' ' LEU . 59.4 mtp -68.07 -42.53 80.28 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 117.632 -1.627 . . . . 34.06 110.911 174.267 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 102' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' D' ' 99' ' ' SER . 7.3 mt -66.65 -45.2 79.76 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 121.822 -0.549 . . . . 22.92 111.568 -172.304 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 103' ' ' GLY . . . . . . . . . . . . . . . -57.56 -39.28 90.63 Favored Glycine 0 C--O 1.238 0.392 0 C-N-CA 120.091 -1.052 . . . . 25.94 112.443 179.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 104' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -66.16 -42.16 89.39 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 116.888 0.344 . . . . 29.38 111.391 175.194 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 105' ' ' SER . . . . . . . . . . . . . 14.8 m -65.27 -37.69 87.98 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 118.959 -1.097 . . . . 41.25 110.929 177.916 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 106' ' ' TRP . . . . . 0.441 ' HA ' HD12 ' D' ' 109' ' ' LEU . 72.5 t-105 -71.09 -35.81 71.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.178 -0.465 . . . . 51.35 111.366 -176.178 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 107' ' ' LYS . . . . . . . . . . . . . 5.3 tptt -57.33 -38.61 74.34 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 119.267 -0.973 . . . . 42.21 110.913 172.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 108' ' ' ALA . . . . . . . . . . . . . . . -76.87 -2.7 34.79 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 113.593 0.96 . . . . 34.5 113.593 -170.447 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 109' ' ' LEU . . . . . 0.441 HD12 ' HA ' ' D' ' 106' ' ' TRP . 12.8 mt -91.01 127.06 36.28 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 118.843 0.747 . . . . 28.96 109.507 -175.282 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 110' ' ' THR . . . . . 0.533 HG22 ' H ' ' D' ' 112' ' ' ALA . 8.6 m -47.18 143.49 3.19 Favored 'General case' 0 N--CA 1.453 -0.325 0 O-C-N 123.861 0.726 . . . . 47.39 110.43 168.02 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 111' ' ' LEU . . . . . . . . . . . . . 4.6 mt -53.22 -34.78 58.51 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 119.792 -0.763 . . . . 39.77 111.33 168.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 112' ' ' ALA . . . . . 0.533 ' H ' HG22 ' D' ' 110' ' ' THR . . . -55.28 -40.32 70.89 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 119.512 -0.875 . . . . 33.16 111.221 170.045 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 113' ' ' GLU . . . . . 0.426 ' OE1' ' HA ' ' D' ' 109' ' ' LEU . 58.7 mt-10 -76.72 -22.46 53.86 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 119.228 -0.415 . . . . 33.23 112.024 -176.579 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 114' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -88.74 -20.84 24.26 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.287 -0.565 . . . . 34.46 112.464 -179.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 115' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -56.87 -35.04 31.05 Favored Pre-proline 0 C--O 1.243 0.714 0 CA-C-O 117.777 -1.106 . . . . 81.26 113.842 -175.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 116' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -63.85 -39.77 31.76 Favored 'Trans proline' 0 N--CA 1.478 0.594 0 CA-C-N 121.9 1.714 . . . . 39.04 112.971 177.338 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 117' ' ' PHE . . . . . 0.604 ' CZ ' ' HD1' ' D' ' 78' ' ' TRP . 43.1 m-85 -70.22 -30.62 67.75 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.244 -0.582 . . . . 35.93 111.733 174.675 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 118' ' ' VAL . . . . . . . . . . . . . 41.3 t -62.64 -46.28 96.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 C-N-CA 119.485 -0.886 . . . . 35.3 110.326 173.263 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 119' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -62.55 -35.8 80.62 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 121.894 -0.504 . . . . 87.81 111.152 -179.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 120' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -73.31 -35.96 66.18 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 119.054 -1.058 . . . . 63.72 111.363 179.161 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 121' ' ' ALA . . . . . . . . . . . . . . . -60.4 -40.76 92.11 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.366 -0.534 . . . . 34.91 111.34 172.601 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 122' ' ' LYS . . . . . . . . . . . . . 3.2 tttm -56.71 -51.51 68.53 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 120.49 -0.484 . . . . 50.48 110.93 175.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 123' ' ' ARG . . . . . . . . . . . . . 10.2 mtt85 -53.49 -47.93 69.4 Favored 'General case' 0 C--N 1.346 0.424 0 CA-C-O 120.998 0.427 . . . . 71.47 111.358 -177.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 124' ' ' LEU . . . . . . . . . . . . . 2.6 mp -50.18 -59.23 4.13 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 123.38 0.672 . . . . 33.87 112.255 175.801 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 125' ' ' ARG . . . . . . . . . . . . . 2.8 ttm-85 -57.24 -43.5 82.99 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 120.7 0.286 . . . . 78.18 111.058 -176.366 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 2.3 t -61.23 -37.57 77.82 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 CA-C-O 121.108 0.48 . . . . 38.86 110.817 176.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 50.3 tp60 -73.89 -37.17 64.78 Favored 'General case' 0 C--O 1.237 0.395 0 O-C-N 121.586 -0.697 . . . . 58.85 111.342 175.012 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 128' ' ' HIS . . . . . 0.606 ' CG ' ' HG3' ' D' ' 71' ' ' PRO . 59.9 t60 -57.48 -30.28 64.95 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.972 -0.455 . . . . 35.89 110.534 175.13 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 129' ' ' MET . . . . . . . . . . . . . 56.6 mtt -67.14 -56.93 7.87 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 121.029 -0.269 . . . . 88.46 110.972 178.438 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 130' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -47.47 -47.18 27.41 Favored 'General case' 0 C--O 1.238 0.464 0 O-C-N 121.918 -0.489 . . . . 49.46 111.832 179.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 131' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -70.61 -31.1 67.95 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 112.372 0.508 . . . . 50.52 112.372 -174.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 132' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -135.67 88.37 23.96 Favored Pre-proline 0 C--O 1.239 0.514 0 N-CA-C 107.527 -1.286 . . . . 53.37 107.527 -179.692 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 133' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -86.99 -21.11 2.14 Favored 'Trans proline' 0 C--N 1.315 -1.236 0 N-CA-C 113.765 0.64 . . . . 48.41 113.765 -152.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 134' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -113.55 32.1 6.03 Favored 'General case' 0 CA--C 1.519 -0.227 0 C-N-CA 122.975 0.51 . . . . 41.43 110.422 172.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 135' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -64.19 134.02 54.01 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.14 0.495 . . . . 54.68 112.022 -174.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 136' ' ' LYS . . . . . . . . . . . . . 10.9 mtmm -122.98 132.48 54.16 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 108.266 -1.013 . . . . 59.57 108.266 171.52 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 137' ' ' TYR . . . . . 0.642 ' CZ ' ' HG3' ' D' ' 139' ' ' PRO . 6.2 t80 -78.66 123.87 27.58 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 108.738 -0.838 . . . . 37.18 108.738 -179.831 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 138' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -125.47 92.36 46.99 Favored Pre-proline 0 C--O 1.24 0.602 0 C-N-CA 123.694 0.798 . . . . 52.62 110.604 -176.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 139' ' ' PRO . . . . . 0.642 ' HG3' ' CZ ' ' D' ' 137' ' ' TYR . 23.8 Cg_exo -63.23 143.37 89.44 Favored 'Trans proline' 0 C--N 1.322 -0.851 0 CA-C-N 118.53 0.511 . . . . 43.89 110.906 173.116 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 140' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.71 171.1 13.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.718 0.771 . . . . 81.71 110.049 179.302 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 141' ' ' ARG . . . . . . . . . . . . . 6.2 ttp85 . . . . . 0 C--N 1.324 -0.526 0 CA-C-N 115.998 -0.546 . . . . 73.63 112.282 173.726 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 0' ' ' ' DG' . . . . . 0.636 ' C2 ' ' C4 ' ' C' ' 1' ' ' ' DG' . . . . . . . . 1 O5'--C5' 1.362 -4.895 1 O4'-C1'-N19 114.208 8.011 . . . . 166.84 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' C' C ' 1' ' ' ' DG' . . . . . 0.857 ' N1 ' ' N3 ' ' E' ' 16' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.389 -3.246 0 O4'-C1'-N19 110.035 2.793 . . . . 126.99 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 2' ' ' ' DT' . . . . . 0.863 H2'' H5'' ' C' ' 3' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.534 1.635 0 O4'-C1'-N19 110.005 2.757 . . . . 92.01 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 3' ' ' ' DC' . . . . . 0.863 H5'' H2'' ' C' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.399 -2.579 0 O4'-C1'-N19 109.582 2.228 . . . . 97.29 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 4' ' ' ' DT' . . . . . 0.825 H5'' H2'' ' C' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.409 -1.922 0 O4'-C1'-N19 109.048 1.56 . . . . 96.57 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' ' DC' . . . . . 0.507 H2'' " O5'" ' C' ' 6' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.389 -2.365 0 O4'-C1'-N19 110.015 2.769 . . . . 100.48 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 6' ' ' ' DT' . . . . . 0.507 " O5'" H2'' ' C' ' 5' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.409 -1.699 0 O4'-C1'-C2' 108.061 1.783 . . . . 94.58 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.718 0 O4'-C1'-C2' 108.523 2.202 . . . . 99.56 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 8' ' ' ' DT' . . . . . 0.406 H2'' " H5'" ' C' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.4 -2.515 0 O4'-C1'-N19 109.289 1.862 . . . . 71.59 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 9' ' ' ' DT' . . . . . 0.406 " H5'" H2'' ' C' ' 8' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.393 -2.957 0 OP2-P-O3' 113.234 1.542 . . . . 65.13 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.385 -3.453 0 O4'-C1'-N19 106.71 -1.363 . . . . 45.67 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.546 2.769 0 O4'-C1'-N19 105.923 -2.346 . . . . 54.64 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.388 -3.298 0 P-O3'-C3' 122.505 2.338 . . . . 52.49 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.404 -2.229 0 P-O5'-C5' 117.322 -2.236 . . . . 54.68 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.409 -1.663 0 C3'-C2'-C1' 98.952 -2.677 . . . . 63.51 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.956 0 O5'-C5'-C4' 112.289 1.492 . . . . 64.84 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 1' ' ' ' DC' . . . . . 0.44 " H2'" ' C6 ' ' E' ' 2' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.395 -2.799 0 O5'-C5'-C4' 112.292 1.494 . . . . 59.26 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 2' ' ' ' DC' . . . . . 0.44 ' C6 ' " H2'" ' E' ' 1' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.401 -2.302 0 C3'-C2'-C1' 100.033 -1.905 . . . . 63.5 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.041 0 C5'-C4'-C3' 116.858 1.439 . . . . 72.52 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.399 -2.464 0 OP1-P-OP2 121.808 1.472 . . . . 78.77 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.541 2.329 0 C4'-C3'-C2' 104.801 1.601 . . . . 89.81 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.65 0 O5'-C5'-C4' 111.919 1.228 . . . . 68.43 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 7' ' ' ' DC' . . . . . 0.463 " H1'" ' C8 ' ' E' ' 8' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.397 -2.624 0 C3'-C2'-C1' 99.087 -2.581 . . . . 56.9 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 8' ' ' ' DA' . . . . . 0.514 " O4'" ' HB2' ' F' ' 70' ' ' ARG . . . . . . . . 1 O3'--C3' 1.362 -5.339 0 O4'-C1'-C2' 108.436 2.124 . . . . 61.21 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.383 -3.659 0 C4'-C3'-C2' 106.18 2.98 . . . . 56.16 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.541 2.338 0 OP1-P-OP2 123.053 2.302 . . . . 63.25 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.397 -2.697 0 C3'-C2'-C1' 97.659 -3.601 . . . . 84.49 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 12' ' ' ' DG' . . . . . 0.412 ' C6 ' ' C6 ' ' E' ' 13' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.409 -1.709 0 C3'-C2'-C1' 99.357 -2.388 . . . . 108.3 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 13' ' ' ' DA' . . . . . 0.494 ' C2 ' ' C6 ' ' E' ' 14' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.522 1.437 0 C3'-C2'-C1' 99.681 -2.156 . . . . 136.63 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 14' ' ' ' DG' . . . . . 0.555 ' C6 ' ' C2 ' ' E' ' 15' ' ' ' DA' . . . . . . . . 0 P--O5' 1.615 2.223 0 C4'-C3'-C2' 100.964 -2.236 . . . . 146.24 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 15' ' ' ' DA' . . . . . 0.555 ' C2 ' ' C6 ' ' E' ' 14' ' ' ' DG' . . . . . . . . 1 O3'--C3' 1.511 6.133 1 O4'-C1'-N19 111.313 4.392 . . . . 149.66 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' E' E ' 16' ' ' ' DC' . . . . . 0.857 ' N3 ' ' N1 ' ' C' ' 1' ' ' ' DG' . . . . . . . . 4 C5'--C4' 1.584 9.105 0 O5'-C5'-C4' 114.99 3.421 . . . . 155.69 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.193 0 N-CA-C 112.202 -0.359 . . . . 105.7 112.202 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 63' ' ' SER . . . . . 0.633 ' HB2' HD12 ' D' ' 68' ' ' ILE . 1.2 m -67.69 150.36 48.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.142 0.496 . . . . 85.22 110.07 -178.885 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 64' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -102.98 129.56 49.77 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 116.571 -0.286 . . . . 53.32 111.289 -169.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 65' ' ' THR . . . . . . . . . . . . . 3.7 m -113.44 118.29 34.1 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.56 -1.274 . . . . 33.77 107.56 -176.766 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 66' ' ' SER . . . . . . . . . . . . . 3.9 p -72.41 -61.11 1.91 Allowed 'General case' 0 C--O 1.236 0.37 0 C-N-CA 118.962 -1.095 . . . . 67.36 111.352 -170.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 67' ' ' ARG . . . . . . . . . . . . . 3.2 ptt180 -129.8 160.42 33.51 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.526 0.679 . . . . 59.58 109.827 172.587 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 68' ' ' ILE . . . . . . . . . . . . . 15.7 mt -113.25 124.22 69.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 107.919 -1.141 . . . . 41.88 107.919 -174.277 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 69' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -73.82 151.69 40.48 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.628 0.728 . . . . 67.81 110.741 -179.369 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 70' ' ' ARG . . . . . 0.514 ' HB2' " O4'" ' E' ' 8' ' ' ' DA' . 22.0 mtp180 -73.94 139.01 76.27 Favored Pre-proline 0 C--N 1.344 0.366 0 CA-C-N 115.559 -0.746 . . . . 42.06 110.596 170.156 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 71' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -61.36 145.45 98.25 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 120.097 0.531 . . . . 32.4 111.108 176.234 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 72' ' ' MET . . . . . 0.478 ' HB3' ' HB2' ' F' ' 76' ' ' MET . 2.7 mtt -70.97 141.23 51.04 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 119.279 -0.969 . . . . 44.72 109.834 177.292 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 73' ' ' ASN . . . . . . . . . . . . . 26.7 p30 -81.31 177.96 8.67 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 122.128 0.966 . . . . 37.03 110.215 171.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.55 -37.3 75.42 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 115.083 -0.962 . . . . 34.7 111.393 -178.239 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 75' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -59.93 -53.66 55.2 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 119.221 -0.992 . . . . 41.81 110.609 177.222 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 76' ' ' MET . . . . . 0.54 ' HA ' ' HE3' ' F' ' 76' ' ' MET . 5.3 mmm -63.1 -38.73 92.34 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 119.885 -0.726 . . . . 40.47 111.713 -173.393 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 77' ' ' VAL . . . . . . . . . . . . . 20.2 t -58.65 -44.06 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 C-N-CA 119.7 -0.8 . . . . 27.66 111.187 172.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 78' ' ' TRP . . . . . 0.483 ' CZ3' ' HB2' ' F' ' 106' ' ' TRP . 69.9 t90 -64.47 -35.8 82.13 Favored 'General case' 0 C--O 1.244 0.806 0 C-N-CA 119.41 -0.916 . . . . 47.54 111.019 178.744 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.61 -39.17 64.77 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 112.048 0.388 . . . . 50.88 112.048 -175.008 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 80' ' ' LYS . . . . . . . . . . . . . 56.4 tttt -44.13 -41.42 5.63 Favored 'General case' 0 C--O 1.236 0.37 0 O-C-N 122.255 -0.278 . . . . 48.92 111.389 -174.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 81' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -93.46 -33.67 13.72 Favored 'General case' 0 CA--C 1.517 -0.322 0 C-N-CA 124.066 0.946 . . . . 60.7 113.161 -179.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 82' ' ' GLU . . . . . 0.505 ' O ' ' HG ' ' F' ' 86' ' ' LEU . 5.0 mm-40 -70.91 -33.23 70.33 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.482 -0.887 . . . . 50.07 110.862 177.583 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 83' ' ' ARG . . . . . 0.635 ' NH2' ' OG ' ' F' ' 99' ' ' SER . 14.6 ttm105 -68.29 -44.94 74.38 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 120.454 -0.498 . . . . 63.84 110.686 178.652 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 84' ' ' LYS . . . . . . . . . . . . . 14.8 mmtp -59.26 -41.03 87.87 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 120.842 -0.343 . . . . 72.97 110.886 173.304 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 85' ' ' ARG . . . . . 0.51 ' NH1' ' OE1' ' F' ' 89' ' ' GLN . 1.1 tmm_? -73.1 -41.37 64.13 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 120.929 -0.308 . . . . 65.45 111.276 -176.626 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 86' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' F' ' 82' ' ' GLU . 21.3 mt -67.61 -25.68 65.87 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 120.518 -0.473 . . . . 68.45 111.866 176.579 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 87' ' ' ALA . . . . . . . . . . . . . . . -78.34 -39.66 38.85 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 111.609 0.226 . . . . 84.69 111.609 -176.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -47.96 -58.03 4.95 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.238 -0.585 . . . . 105.19 111.229 168.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 89' ' ' GLN . . . . . 0.51 ' OE1' ' NH1' ' F' ' 85' ' ' ARG . 2.5 mt-30 -63.95 -32.27 73.74 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 119.502 -0.879 . . . . 87.94 111.916 -179.328 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 90' ' ' ASN . . . . . 0.73 ' HB3' HD12 ' F' ' 93' ' ' LEU . 28.7 m-80 -122.45 73.49 40.99 Favored Pre-proline 0 C--O 1.24 0.594 0 N-CA-C 109.158 -0.682 . . . . 95.53 109.158 -173.392 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 91' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -84.08 -19.03 4.93 Favored 'Trans proline' 0 C--O 1.239 0.568 0 N-CA-C 114.043 0.747 . . . . 99.61 114.043 -169.213 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 92' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' F' ' 92' ' ' ASP . 9.2 p-10 -72.78 -32.97 65.99 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 118.321 0.51 . . . . 115.71 112.075 178.099 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 93' ' ' LEU . . . . . 0.73 HD12 ' HB3' ' F' ' 90' ' ' ASN . 70.0 mt -72.25 132.28 43.86 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 112.654 0.613 . . . . 108.91 112.654 -161.156 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 94' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -49.01 145.12 4.2 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.445 -0.798 . . . . 112.21 109.38 171.276 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 95' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -68.58 -33.52 74.21 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 119.647 -0.821 . . . . 84.67 111.766 -171.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.51 -31.21 71.93 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 111.857 0.317 . . . . 85.51 111.857 -175.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 97' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -71.52 -38.76 71.08 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 120.203 -0.599 . . . . 91.65 110.833 177.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 98' ' ' LEU . . . . . 0.412 HD22 ' HE1' ' F' ' 101' ' ' MET . 16.0 mt -50.73 -41.82 56.71 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.688 -0.405 . . . . 86.08 110.824 177.033 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 99' ' ' SER . . . . . 0.635 ' OG ' ' NH2' ' F' ' 83' ' ' ARG . 4.6 m -57.65 -39.63 77.45 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.179 -0.608 . . . . 69.85 111.043 179.389 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 100' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -63.47 -31.46 72.63 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.996 -0.682 . . . . 73.64 111.441 177.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 101' ' ' MET . . . . . 0.412 ' HE1' HD22 ' F' ' 98' ' ' LEU . 25.7 mtm -68.14 -52.39 35.28 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 120.261 -0.576 . . . . 91.8 110.587 174.421 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 102' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' F' ' 99' ' ' SER . 3.4 mt -59.0 -29.64 67.39 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 120.621 -0.432 . . . . 62.92 111.439 -176.738 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 103' ' ' GLY . . . . . . . . . . . . . . . -69.05 -52.99 20.78 Favored Glycine 0 C--N 1.335 0.521 0 C-N-CA 120.721 -0.752 . . . . 56.7 113.228 -176.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 104' ' ' LYS . . . . . . . . . . . . . 24.2 ttmt -68.63 -31.38 70.49 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 118.19 -1.404 . . . . 76.01 111.278 178.215 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 105' ' ' SER . . . . . . . . . . . . . 2.0 t -60.64 -58.8 6.92 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.339 0.59 . . . . 65.95 110.851 175.699 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 106' ' ' TRP . . . . . 0.539 ' CZ2' ' HD3' ' F' ' 114' ' ' LYS . 13.5 t-105 -56.26 -40.68 74.58 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.267 -0.424 . . . . 47.35 111.564 -179.623 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 107' ' ' LYS . . . . . 0.419 ' HA ' ' HE2' ' F' ' 107' ' ' LYS . 4.9 mmpt? -76.75 22.02 0.19 Allowed 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 118.167 -1.413 . . . . 70.11 110.924 176.177 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 108' ' ' ALA . . . . . . . . . . . . . . . -131.9 22.67 4.58 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 122.902 0.481 . . . . 41.44 111.467 174.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 109' ' ' LEU . . . . . . . . . . . . . 4.0 mt -115.57 147.34 40.84 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.121 -1.066 . . . . 36.62 108.121 177.044 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 110' ' ' THR . . . . . 0.712 ' HB ' ' H ' ' F' ' 113' ' ' GLU . 5.9 m -52.85 157.09 1.77 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.738 -0.664 . . . . 46.43 111.054 173.78 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 111' ' ' LEU . . . . . . . . . . . . . 14.8 mt -68.99 -21.22 64.16 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 118.56 -1.256 . . . . 48.45 110.657 166.26 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 112' ' ' ALA . . . . . 0.678 ' H ' HG22 ' F' ' 110' ' ' THR . . . -76.43 -42.38 44.27 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-N 118.136 0.426 . . . . 36.35 110.557 169.041 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 113' ' ' GLU . . . . . 0.712 ' H ' ' HB ' ' F' ' 110' ' ' THR . 11.8 mt-10 -61.76 -16.41 49.28 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 118.897 -0.573 . . . . 61.29 112.439 175.746 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 114' ' ' LYS . . . . . 0.539 ' HD3' ' CZ2' ' F' ' 106' ' ' TRP . 18.1 ptpt -121.81 8.56 9.98 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 118.755 0.707 . . . . 39.54 112.72 175.142 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 115' ' ' ARG . . . . . . . . . . . . . 40.2 ttp85 -55.87 -47.35 98.94 Favored Pre-proline 0 C--O 1.245 0.86 0 CA-C-O 117.9 -1.047 . . . . 60.19 112.827 172.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 116' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -63.31 -25.4 71.61 Favored 'Trans proline' 0 C--N 1.348 0.55 0 CA-C-N 121.191 1.461 . . . . 26.01 114.534 -175.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 117' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -78.66 -26.35 45.06 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 119.547 -0.861 . . . . 36.7 111.7 174.761 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 118' ' ' VAL . . . . . . . . . . . . . 89.5 t -63.36 -41.72 93.75 Favored 'Isoleucine or valine' 0 C--O 1.242 0.668 0 C-N-CA 118.633 -1.227 . . . . 24.22 109.528 168.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 119' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -66.34 -37.56 85.63 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 119.456 -0.898 . . . . 70.95 110.999 -175.763 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 120' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -67.45 -48.66 66.59 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 120.749 -0.38 . . . . 44.9 111.588 179.056 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 121' ' ' ALA . . . . . . . . . . . . . . . -54.51 -46.13 73.44 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 119.642 -0.823 . . . . 34.67 111.043 176.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.18 -60.03 2.33 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 113.209 0.818 . . . . 39.88 113.209 165.791 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 123' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -53.76 -48.54 69.62 Favored 'General case' 0 C--O 1.242 0.659 0 C-N-CA 120.324 -0.551 . . . . 36.66 109.876 -173.543 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 124' ' ' LEU . . . . . . . . . . . . . 1.5 mp -65.52 -47.71 74.99 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-N 115.674 -0.694 . . . . 43.64 111.315 179.038 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 125' ' ' ARG . . . . . . . . . . . . . 31.0 ttm105 -55.66 -39.45 70.94 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 118.41 -1.316 . . . . 62.13 111.655 178.297 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 126' ' ' VAL . . . . . . . . . . . . . 51.6 t -68.44 -38.86 79.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 119.859 -0.737 . . . . 30.12 111.01 177.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 127' ' ' GLN . . . . . 0.547 ' OE1' ' NH1' ' D' ' 69' ' ' ARG . 1.1 tt0 -67.54 -30.78 70.52 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.635 -0.426 . . . . 41.97 111.654 174.539 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 128' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -64.87 -42.98 94.38 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.814 0.34 . . . . 39.44 110.56 175.66 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 129' ' ' MET . . . . . . . . . . . . . 4.0 tpt -54.27 -42.17 69.66 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 116.305 -0.407 . . . . 68.33 111.027 174.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 130' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -66.22 -46.01 78.71 Favored 'General case' 0 CA--C 1.515 -0.391 0 C-N-CA 120.704 -0.398 . . . . 73.33 111.101 177.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 131' ' ' ASP . . . . . 0.504 ' OD1' ' NH1' ' D' ' 69' ' ' ARG . 11.6 m-20 -56.7 -42.36 79.01 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 120.873 0.368 . . . . 30.48 111.189 -178.879 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 132' ' ' HIS . . . . . . . . . . . . . 35.0 m-70 -119.1 85.05 28.74 Favored Pre-proline 0 C--O 1.241 0.647 0 C-N-CA 122.552 0.341 . . . . 36.29 111.23 -175.385 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 133' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -51.73 133.45 44.8 Favored 'Trans proline' 0 CA--C 1.513 -0.55 0 C-N-CA 120.787 0.991 . . . . 36.44 111.451 -177.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 134' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 55.72 42.16 29.58 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.169 -0.923 . . . . 72.27 111.158 174.528 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 135' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -57.39 142.9 42.14 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.574 0.702 . . . . 56.99 111.314 179.302 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 136' ' ' LYS . . . . . . . . . . . . . 2.6 mmtm -135.74 115.64 13.12 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 107.852 -1.166 . . . . 62.59 107.852 179.647 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 137' ' ' TYR . . . . . 0.604 ' CZ ' ' HG3' ' F' ' 139' ' ' PRO . 8.1 t80 -74.42 108.05 6.95 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 119.268 -0.973 . . . . 52.96 109.078 176.432 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 138' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -111.57 94.2 22.36 Favored Pre-proline 0 C--O 1.238 0.457 0 N-CA-C 108.984 -0.746 . . . . 88.09 108.984 179.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 139' ' ' PRO . . . . . 0.604 ' HG3' ' CZ ' ' F' ' 137' ' ' TYR . 3.4 Cg_exo -82.68 143.48 12.0 Favored 'Trans proline' 0 C--N 1.333 -0.262 0 CA-C-N 119.129 0.725 . . . . 55.8 111.293 176.904 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 140' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -92.31 158.86 15.88 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.765 0.793 . . . . 154.58 111.247 -176.248 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 141' ' ' ARG . . . . . . . . . . . . . 12.4 ttp-105 . . . . . 0 CA--C 1.522 -0.124 0 CA-C-N 114.697 -1.138 . . . . 96.82 109.329 174.536 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 201' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.289 0 C4'-C3'-C2' 99.598 -3.602 . . . . 112.03 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.381 -3.704 0 P-O3'-C3' 121.705 1.671 . . . . 62.54 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.4 -2.52 0 OP1-P-OP2 123.094 2.33 . . . . 68.24 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.195 0 O4'-C1'-N19 110.487 3.358 . . . . 58.14 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.415 -1.577 0 O4'-C1'-N19 110.626 3.532 . . . . 59.83 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ' DC' . . . . . 0.624 ' O2 ' ' N2 ' ' B' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.404 -2.259 0 O5'-P-OP2 102.68 -2.082 . . . . 56.01 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.534 1.553 0 OP1-P-O3' 100.606 -2.123 . . . . 37.85 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.398 0 O4'-C1'-N19 110.492 3.365 . . . . 28.93 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.54 2.246 0 OP1-P-OP2 116.023 -2.384 . . . . 36.6 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.553 3.456 0 OP1-P-OP2 124.714 3.41 . . . . 35.35 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.361 -5.373 1 OP1-P-OP2 126.333 4.488 . . . . 34.57 . . . . . . . . . . 2 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ' DT' . . . . . 0.413 H2'' ' C6 ' ' A' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.381 -3.691 0 OP1-P-OP2 123.978 2.918 . . . . 40.55 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ' DC' . . . . . 0.413 ' C6 ' H2'' ' A' ' 11' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.385 -3.446 0 C1'-O4'-C4' 105.286 -3.153 . . . . 42.07 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ' DC' . . . . . 0.721 " H2'" ' C6 ' ' A' ' 14' ' ' ' DT' . . . . . . . . 2 O5'--C5' 1.349 -5.683 0 O4'-C4'-C3' 102.32 -3.28 . . . . 43.69 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ' DT' . . . . . 0.721 ' C6 ' " H2'" ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.409 -1.936 1 C4'-C3'-C2' 98.255 -4.945 . . . . 91.1 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ' DG' . . . . . 0.745 ' C2 ' ' C2 ' ' B' ' 3' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.541 3.726 0 P-O3'-C3' 124.22 3.767 . . . . 145.86 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 O3'--C3' 1.549 9.059 2 O4'-C1'-N19 120.867 16.334 . . . . 125.67 . . . . . . . . . . 2 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.425 H2'' " H5'" ' B' ' 3' ' ' ' DA' . . . . . . . . 2 C5'--C4' 1.56 6.157 1 N19-C1'-C2' 107.097 -4.439 . . . . 124.71 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ' DA' . . . . . 0.745 ' C2 ' ' C2 ' ' A' ' 15' ' ' ' DG' . . . . . . . . 1 O3'--C3' 1.494 4.879 1 C4'-C3'-C2' 99.158 -4.042 . . . . 105.91 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ' DG' . . . . . 0.573 ' C4 ' ' C2 ' ' B' ' 3' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.536 0 O4'-C1'-N19 110.366 3.207 . . . . 68.38 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.45 " O5'" H2'' ' B' ' 4' ' ' ' DG' . . . . . . . . 1 O3'--C3' 1.358 -5.619 0 O4'-C1'-C2' 108.876 2.524 . . . . 68.18 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.358 -5.654 0 OP1-P-OP2 123.758 2.772 . . . . 48.3 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.385 -3.413 0 O4'-C1'-N19 110.75 3.688 . . . . 34.77 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.39 -3.104 0 O4'-C1'-N19 109.476 2.094 . . . . 31.34 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.38 -3.753 0 OP1-P-OP2 123.454 2.569 . . . . 29.28 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.395 -2.748 0 O4'-C1'-N19 109.49 2.113 . . . . 31.36 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ' DA' . . . . . 0.431 H2'' ' C8 ' ' B' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.377 -3.909 0 OP1-P-OP2 123.921 2.881 . . . . 27.88 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ' DG' . . . . . 0.624 ' N2 ' ' O2 ' ' A' ' 5' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.38 -3.894 0 P-O5'-C5' 117.52 -2.113 . . . . 30.47 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.392 -3.013 0 OP1-P-OP2 122.191 1.728 . . . . 39.72 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.395 -2.838 0 OP1-P-OP2 122.262 1.775 . . . . 39.56 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.411 -1.841 0 O4'-C1'-N19 108.71 1.138 . . . . 50.87 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.521 1.201 0 O4'-C1'-N19 110.207 3.009 . . . . 64.76 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.572 0 CA-C-O 121.332 0.407 . . . . 51.0 113.991 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 3.1 t -136.31 141.2 43.79 Favored 'General case' 0 N--CA 1.448 -0.527 0 O-C-N 121.659 -0.907 . . . . 31.6 110.569 -173.297 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 64' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -110.23 -15.26 14.02 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 114.919 -1.037 . . . . 35.08 111.941 178.696 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 40.4 p -93.24 -8.19 42.97 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 118.605 -0.712 . . . . 29.0 112.319 -178.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 66' ' ' SER . . . . . . . . . . . . . 34.2 m -71.79 116.35 12.07 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 118.2 0.454 . . . . 32.13 111.455 174.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 67' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -45.73 145.77 1.3 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.11 0.481 . . . . 32.33 111.011 165.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 68' ' ' ILE . . . . . 0.633 HD12 ' HB2' ' F' ' 63' ' ' SER . 81.5 mt -128.25 126.83 66.65 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.628 0 N-CA-C 107.07 -1.456 . . . . 46.62 107.07 173.196 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 69' ' ' ARG . . . . . 0.547 ' NH1' ' OE1' ' F' ' 127' ' ' GLN . 0.6 OUTLIER -110.31 140.19 44.73 Favored 'General case' 0 C--O 1.24 0.59 0 C-N-CA 119.681 -0.808 . . . . 30.65 110.637 -173.355 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 70' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -57.55 139.23 81.29 Favored Pre-proline 0 C--O 1.237 0.406 0 CA-C-N 115.188 -0.914 . . . . 26.39 110.299 -175.767 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 71' ' ' PRO . . . . . 0.606 ' HG3' ' CG ' ' D' ' 128' ' ' HIS . 3.0 Cg_exo -67.04 150.65 82.59 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 N-CA-C 109.096 -1.155 . . . . 35.62 109.096 178.095 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 72' ' ' MET . . . . . 0.507 ' HB2' ' HB2' ' D' ' 76' ' ' MET . 4.9 ptt? -90.05 133.06 35.06 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 117.424 -1.71 . . . . 24.97 110.535 -170.999 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 73' ' ' ASN . . . . . . . . . . . . . 30.3 p30 -68.86 179.18 1.88 Allowed 'General case' 0 C--O 1.236 0.377 0 CA-C-O 122.053 0.93 . . . . 20.9 110.516 -179.181 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.64 -34.92 73.42 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.598 -0.728 . . . . 22.25 111.418 -173.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 75' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -63.05 -49.4 74.7 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 118.751 -1.18 . . . . 28.55 110.278 -179.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 76' ' ' MET . . . . . 0.507 ' HB2' ' HB2' ' D' ' 72' ' ' MET . 22.1 mmt -65.37 -33.26 75.55 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 112.578 0.584 . . . . 39.72 112.578 -174.492 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 77' ' ' VAL . . . . . . . . . . . . . 24.6 t -64.41 -43.68 97.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-O 120.821 0.343 . . . . 34.98 110.876 175.141 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 78' ' ' TRP . . . . . 0.604 ' HD1' ' CZ ' ' D' ' 117' ' ' PHE . 46.1 t90 -71.83 -40.46 69.08 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 122.124 -0.36 . . . . 40.84 110.777 177.423 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.24 -29.93 69.7 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 112.272 0.471 . . . . 43.28 112.272 -179.957 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -55.83 -52.32 64.44 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 118.411 -1.316 . . . . 33.14 110.047 179.171 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 81' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -73.94 -39.13 64.0 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 112.79 0.663 . . . . 40.72 112.79 -178.478 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 82' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -69.39 -38.02 77.79 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 118.781 -1.167 . . . . 33.78 111.073 179.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 83' ' ' ARG . . . . . 0.716 ' NH2' ' OG ' ' D' ' 99' ' ' SER . 9.9 ttm105 -60.13 -44.85 94.6 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 118.449 -1.3 . . . . 35.44 109.774 -177.511 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 84' ' ' LYS . . . . . . . . . . . . . 54.5 tttt -55.8 -48.0 76.14 Favored 'General case' 0 C--O 1.231 0.107 0 O-C-N 122.041 -0.412 . . . . 44.59 111.006 170.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 85' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -63.49 -37.41 87.2 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 121.781 -0.575 . . . . 62.53 111.97 -175.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 86' ' ' LEU . . . . . 0.476 HD13 ' HE1' ' D' ' 101' ' ' MET . 57.7 mt -73.59 -35.11 65.36 Favored 'General case' 0 CA--C 1.52 -0.185 0 C-N-CA 119.009 -1.076 . . . . 23.11 111.375 172.557 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.34 -29.83 71.07 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 119.403 -0.919 . . . . 29.29 112.368 -178.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -62.92 -60.43 3.48 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 119.956 -0.698 . . . . 95.55 110.251 171.183 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 89' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -67.54 -0.07 3.52 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 113.789 1.033 . . . . 74.36 113.789 -176.492 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 90' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -152.87 64.58 5.35 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 120.375 1.443 . . . . 41.47 108.411 -176.218 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 91' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -80.2 -12.02 13.16 Favored 'Trans proline' 0 C--O 1.24 0.608 0 N-CA-C 114.706 1.002 . . . . 41.84 114.706 -159.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 92' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -79.05 -23.6 44.14 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 118.938 0.79 . . . . 62.03 112.081 170.374 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 93' ' ' LEU . . . . . 0.425 ' HA ' HD23 ' D' ' 93' ' ' LEU . 11.0 mt -67.43 138.22 56.48 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-O 121.474 0.654 . . . . 37.67 111.787 -171.651 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 94' ' ' HIS . . . . . . . . . . . . . 37.4 t-80 -77.81 159.41 29.01 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 126.828 2.051 . . . . 23.97 109.674 178.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 95' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -71.89 -22.31 61.52 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 115.22 -2.592 . . . . 30.82 111.397 -177.02 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.57 -43.09 95.02 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.798 -0.361 . . . . 24.31 110.421 174.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 97' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -68.87 -32.37 71.98 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 120.216 -0.594 . . . . 61.54 111.309 173.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 98' ' ' LEU . . . . . . . . . . . . . 82.2 mt -71.4 -31.84 67.72 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 118.396 -1.321 . . . . 27.07 110.735 -178.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 99' ' ' SER . . . . . 0.716 ' OG ' ' NH2' ' D' ' 83' ' ' ARG . 2.2 m -65.19 -40.1 93.75 Favored 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 120.274 -0.57 . . . . 38.57 110.447 178.12 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 100' ' ' LYS . . . . . . . . . . . . . 7.6 mttm -62.01 -32.61 73.11 Favored 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 119.028 -1.069 . . . . 28.71 110.162 177.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 101' ' ' MET . . . . . 0.476 ' HE1' HD13 ' D' ' 86' ' ' LEU . 59.4 mtp -68.07 -42.53 80.28 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 117.632 -1.627 . . . . 34.06 110.911 174.267 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 102' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' D' ' 99' ' ' SER . 7.3 mt -66.65 -45.2 79.76 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 121.822 -0.549 . . . . 22.92 111.568 -172.304 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 103' ' ' GLY . . . . . . . . . . . . . . . -57.56 -39.28 90.63 Favored Glycine 0 C--O 1.238 0.392 0 C-N-CA 120.091 -1.052 . . . . 25.94 112.443 179.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 104' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -66.16 -42.16 89.39 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 116.888 0.344 . . . . 29.38 111.391 175.194 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 105' ' ' SER . . . . . . . . . . . . . 14.8 m -65.27 -37.69 87.98 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 118.959 -1.097 . . . . 41.25 110.929 177.916 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 106' ' ' TRP . . . . . 0.441 ' HA ' HD12 ' D' ' 109' ' ' LEU . 72.5 t-105 -71.09 -35.81 71.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.178 -0.465 . . . . 51.35 111.366 -176.178 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 107' ' ' LYS . . . . . . . . . . . . . 5.3 tptt -57.33 -38.61 74.34 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 119.267 -0.973 . . . . 42.21 110.913 172.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 108' ' ' ALA . . . . . . . . . . . . . . . -76.87 -2.7 34.79 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 113.593 0.96 . . . . 34.5 113.593 -170.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 109' ' ' LEU . . . . . 0.441 HD12 ' HA ' ' D' ' 106' ' ' TRP . 12.8 mt -91.01 127.06 36.28 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 118.843 0.747 . . . . 28.96 109.507 -175.282 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 110' ' ' THR . . . . . 0.533 HG22 ' H ' ' D' ' 112' ' ' ALA . 8.6 m -47.18 143.49 3.19 Favored 'General case' 0 N--CA 1.453 -0.325 0 O-C-N 123.861 0.726 . . . . 47.39 110.43 168.02 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 111' ' ' LEU . . . . . . . . . . . . . 4.6 mt -53.22 -34.78 58.51 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 119.792 -0.763 . . . . 39.77 111.33 168.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 112' ' ' ALA . . . . . 0.533 ' H ' HG22 ' D' ' 110' ' ' THR . . . -55.28 -40.32 70.89 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 119.512 -0.875 . . . . 33.16 111.221 170.045 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 113' ' ' GLU . . . . . 0.426 ' OE1' ' HA ' ' D' ' 109' ' ' LEU . 58.7 mt-10 -76.72 -22.46 53.86 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 119.228 -0.415 . . . . 33.23 112.024 -176.579 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 114' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -88.74 -20.84 24.26 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.287 -0.565 . . . . 34.46 112.464 -179.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 115' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -56.87 -35.04 31.05 Favored Pre-proline 0 C--O 1.243 0.714 0 CA-C-O 117.777 -1.106 . . . . 81.26 113.842 -175.025 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 116' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -63.85 -39.77 31.76 Favored 'Trans proline' 0 N--CA 1.478 0.594 0 CA-C-N 121.9 1.714 . . . . 39.04 112.971 177.338 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 117' ' ' PHE . . . . . 0.604 ' CZ ' ' HD1' ' D' ' 78' ' ' TRP . 43.1 m-85 -70.22 -30.62 67.75 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.244 -0.582 . . . . 35.93 111.733 174.675 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 118' ' ' VAL . . . . . . . . . . . . . 41.3 t -62.64 -46.28 96.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 C-N-CA 119.485 -0.886 . . . . 35.3 110.326 173.263 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 119' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -62.55 -35.8 80.62 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 121.894 -0.504 . . . . 87.81 111.152 -179.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 120' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -73.31 -35.96 66.18 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 119.054 -1.058 . . . . 63.72 111.363 179.161 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 121' ' ' ALA . . . . . . . . . . . . . . . -60.4 -40.76 92.11 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.366 -0.534 . . . . 34.91 111.34 172.601 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 122' ' ' LYS . . . . . . . . . . . . . 3.2 tttm -56.71 -51.51 68.53 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 120.49 -0.484 . . . . 50.48 110.93 175.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 123' ' ' ARG . . . . . . . . . . . . . 10.2 mtt85 -53.49 -47.93 69.4 Favored 'General case' 0 C--N 1.346 0.424 0 CA-C-O 120.998 0.427 . . . . 71.47 111.358 -177.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 124' ' ' LEU . . . . . . . . . . . . . 2.6 mp -50.18 -59.23 4.13 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 123.38 0.672 . . . . 33.87 112.255 175.801 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 125' ' ' ARG . . . . . . . . . . . . . 2.8 ttm-85 -57.24 -43.5 82.99 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 120.7 0.286 . . . . 78.18 111.058 -176.366 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 2.3 t -61.23 -37.57 77.82 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 CA-C-O 121.108 0.48 . . . . 38.86 110.817 176.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 127' ' ' GLN . . . . . 0.542 ' OE1' ' NE2' ' D' ' 130' ' ' GLN . 50.3 tp60 -73.89 -37.17 64.78 Favored 'General case' 0 C--O 1.237 0.395 0 O-C-N 121.586 -0.697 . . . . 58.85 111.342 175.012 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 128' ' ' HIS . . . . . 0.606 ' CG ' ' HG3' ' D' ' 71' ' ' PRO . 59.9 t60 -57.48 -30.28 64.95 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.972 -0.455 . . . . 35.89 110.534 175.13 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 129' ' ' MET . . . . . . . . . . . . . 56.6 mtt -67.14 -56.93 7.87 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 121.029 -0.269 . . . . 88.46 110.972 178.438 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 130' ' ' GLN . . . . . 0.542 ' NE2' ' OE1' ' D' ' 127' ' ' GLN . 38.6 mt-30 -47.47 -47.18 27.41 Favored 'General case' 0 C--O 1.238 0.464 0 O-C-N 121.918 -0.489 . . . . 49.46 111.832 179.509 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 131' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -70.61 -31.1 67.95 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 112.372 0.508 . . . . 50.52 112.372 -174.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 132' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -135.67 88.37 23.96 Favored Pre-proline 0 C--O 1.239 0.514 0 N-CA-C 107.527 -1.286 . . . . 53.37 107.527 -179.692 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 133' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -86.99 -21.11 2.14 Favored 'Trans proline' 0 C--N 1.315 -1.236 0 N-CA-C 113.765 0.64 . . . . 48.41 113.765 -152.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 134' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -113.55 32.1 6.03 Favored 'General case' 0 CA--C 1.519 -0.227 0 C-N-CA 122.975 0.51 . . . . 41.43 110.422 172.328 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 135' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -64.19 134.02 54.01 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.14 0.495 . . . . 54.68 112.022 -174.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 136' ' ' LYS . . . . . . . . . . . . . 10.9 mtmm -122.98 132.48 54.16 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 108.266 -1.013 . . . . 59.57 108.266 171.52 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 137' ' ' TYR . . . . . 0.642 ' CZ ' ' HG3' ' D' ' 139' ' ' PRO . 6.2 t80 -78.66 123.87 27.58 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 108.738 -0.838 . . . . 37.18 108.738 -179.831 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 138' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -125.47 92.36 46.99 Favored Pre-proline 0 C--O 1.24 0.602 0 C-N-CA 123.694 0.798 . . . . 52.62 110.604 -176.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 139' ' ' PRO . . . . . 0.642 ' HG3' ' CZ ' ' D' ' 137' ' ' TYR . 23.8 Cg_exo -63.23 143.37 89.44 Favored 'Trans proline' 0 C--N 1.322 -0.851 0 CA-C-N 118.53 0.511 . . . . 43.89 110.906 173.116 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 140' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.71 171.1 13.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.718 0.771 . . . . 81.71 110.049 179.302 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 141' ' ' ARG . . . . . . . . . . . . . 6.2 ttp85 . . . . . 0 C--N 1.324 -0.526 0 CA-C-N 115.998 -0.546 . . . . 73.63 112.282 173.726 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 0' ' ' ' DG' . . . . . 0.636 ' C2 ' ' C4 ' ' C' ' 1' ' ' ' DG' . . . . . . . . 1 O5'--C5' 1.362 -4.895 1 O4'-C1'-N19 114.208 8.011 . . . . 166.84 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' ' DG' . . . . . 0.857 ' N1 ' ' N3 ' ' E' ' 16' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.389 -3.246 0 O4'-C1'-N19 110.035 2.793 . . . . 126.99 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' ' DT' . . . . . 0.863 H2'' H5'' ' C' ' 3' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.534 1.635 0 O4'-C1'-N19 110.005 2.757 . . . . 92.01 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' ' DC' . . . . . 0.863 H5'' H2'' ' C' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.399 -2.579 0 O4'-C1'-N19 109.582 2.228 . . . . 97.29 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' ' DT' . . . . . 0.825 H5'' H2'' ' C' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.409 -1.922 0 O4'-C1'-N19 109.048 1.56 . . . . 96.57 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' ' DC' . . . . . 0.507 H2'' " O5'" ' C' ' 6' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.389 -2.365 0 O4'-C1'-N19 110.015 2.769 . . . . 100.48 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' ' DT' . . . . . 0.507 " O5'" H2'' ' C' ' 5' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.409 -1.699 0 O4'-C1'-C2' 108.061 1.783 . . . . 94.58 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.718 0 O4'-C1'-C2' 108.523 2.202 . . . . 99.56 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' ' DT' . . . . . 0.406 H2'' " H5'" ' C' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.4 -2.515 0 O4'-C1'-N19 109.289 1.862 . . . . 71.59 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' ' DT' . . . . . 0.406 " H5'" H2'' ' C' ' 8' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.393 -2.957 0 OP2-P-O3' 113.234 1.542 . . . . 65.13 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.385 -3.453 0 O4'-C1'-N19 106.71 -1.363 . . . . 45.67 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.546 2.769 0 O4'-C1'-N19 105.923 -2.346 . . . . 54.64 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.388 -3.298 0 P-O3'-C3' 122.505 2.338 . . . . 52.49 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.404 -2.229 0 P-O5'-C5' 117.322 -2.236 . . . . 54.68 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.409 -1.663 0 C3'-C2'-C1' 98.952 -2.677 . . . . 63.51 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.956 0 O5'-C5'-C4' 112.289 1.492 . . . . 64.84 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 1' ' ' ' DC' . . . . . 0.44 " H2'" ' C6 ' ' E' ' 2' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.395 -2.799 0 O5'-C5'-C4' 112.292 1.494 . . . . 59.26 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 2' ' ' ' DC' . . . . . 0.44 ' C6 ' " H2'" ' E' ' 1' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.401 -2.302 0 C3'-C2'-C1' 100.033 -1.905 . . . . 63.5 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.041 0 C5'-C4'-C3' 116.858 1.439 . . . . 72.52 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.399 -2.464 0 OP1-P-OP2 121.808 1.472 . . . . 78.77 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.541 2.329 0 C4'-C3'-C2' 104.801 1.601 . . . . 89.81 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.65 0 O5'-C5'-C4' 111.919 1.228 . . . . 68.43 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 7' ' ' ' DC' . . . . . 0.463 " H1'" ' C8 ' ' E' ' 8' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.397 -2.624 0 C3'-C2'-C1' 99.087 -2.581 . . . . 56.9 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 8' ' ' ' DA' . . . . . 0.514 " O4'" ' HB2' ' F' ' 70' ' ' ARG . . . . . . . . 1 O3'--C3' 1.362 -5.339 0 O4'-C1'-C2' 108.436 2.124 . . . . 61.21 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.383 -3.659 0 C4'-C3'-C2' 106.18 2.98 . . . . 56.16 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.541 2.338 0 OP1-P-OP2 123.053 2.302 . . . . 63.25 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.397 -2.697 0 C3'-C2'-C1' 97.659 -3.601 . . . . 84.49 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 12' ' ' ' DG' . . . . . 0.412 ' C6 ' ' C6 ' ' E' ' 13' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.409 -1.709 0 C3'-C2'-C1' 99.357 -2.388 . . . . 108.3 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 13' ' ' ' DA' . . . . . 0.494 ' C2 ' ' C6 ' ' E' ' 14' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.522 1.437 0 C3'-C2'-C1' 99.681 -2.156 . . . . 136.63 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 14' ' ' ' DG' . . . . . 0.555 ' C6 ' ' C2 ' ' E' ' 15' ' ' ' DA' . . . . . . . . 0 P--O5' 1.615 2.223 0 C4'-C3'-C2' 100.964 -2.236 . . . . 146.24 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 15' ' ' ' DA' . . . . . 0.555 ' C2 ' ' C6 ' ' E' ' 14' ' ' ' DG' . . . . . . . . 1 O3'--C3' 1.511 6.133 1 O4'-C1'-N19 111.313 4.392 . . . . 149.66 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' E' E ' 16' ' ' ' DC' . . . . . 0.857 ' N3 ' ' N1 ' ' C' ' 1' ' ' ' DG' . . . . . . . . 4 C5'--C4' 1.584 9.105 0 O5'-C5'-C4' 114.99 3.421 . . . . 155.69 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.193 0 N-CA-C 112.202 -0.359 . . . . 105.7 112.202 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 63' ' ' SER . . . . . 0.633 ' HB2' HD12 ' D' ' 68' ' ' ILE . 1.2 m -67.69 150.36 48.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.142 0.496 . . . . 85.22 110.07 -178.885 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 64' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -102.98 129.56 49.77 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 116.571 -0.286 . . . . 53.32 111.289 -169.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 65' ' ' THR . . . . . . . . . . . . . 3.7 m -113.44 118.29 34.1 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.56 -1.274 . . . . 33.77 107.56 -176.766 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 66' ' ' SER . . . . . . . . . . . . . 3.9 p -72.41 -61.11 1.91 Allowed 'General case' 0 C--O 1.236 0.37 0 C-N-CA 118.962 -1.095 . . . . 67.36 111.352 -170.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 67' ' ' ARG . . . . . . . . . . . . . 3.2 ptt180 -129.8 160.42 33.51 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.526 0.679 . . . . 59.58 109.827 172.587 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 68' ' ' ILE . . . . . . . . . . . . . 15.7 mt -113.25 124.22 69.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 107.919 -1.141 . . . . 41.88 107.919 -174.277 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 69' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -73.82 151.69 40.48 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.628 0.728 . . . . 67.81 110.741 -179.369 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 70' ' ' ARG . . . . . 0.514 ' HB2' " O4'" ' E' ' 8' ' ' ' DA' . 22.0 mtp180 -73.94 139.01 76.27 Favored Pre-proline 0 C--N 1.344 0.366 0 CA-C-N 115.559 -0.746 . . . . 42.06 110.596 170.156 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 71' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -61.36 145.45 98.25 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 120.097 0.531 . . . . 32.4 111.108 176.234 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 72' ' ' MET . . . . . 0.478 ' HB3' ' HB2' ' F' ' 76' ' ' MET . 2.7 mtt -70.97 141.23 51.04 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 119.279 -0.969 . . . . 44.72 109.834 177.292 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 73' ' ' ASN . . . . . . . . . . . . . 26.7 p30 -81.31 177.96 8.67 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 122.128 0.966 . . . . 37.03 110.215 171.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.55 -37.3 75.42 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 115.083 -0.962 . . . . 34.7 111.393 -178.239 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 75' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -59.93 -53.66 55.2 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 119.221 -0.992 . . . . 41.81 110.609 177.222 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 76' ' ' MET . . . . . 0.54 ' HA ' ' HE3' ' F' ' 76' ' ' MET . 5.3 mmm -63.1 -38.73 92.34 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 119.885 -0.726 . . . . 40.47 111.713 -173.393 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 77' ' ' VAL . . . . . . . . . . . . . 20.2 t -58.65 -44.06 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 C-N-CA 119.7 -0.8 . . . . 27.66 111.187 172.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 78' ' ' TRP . . . . . 0.483 ' CZ3' ' HB2' ' F' ' 106' ' ' TRP . 69.9 t90 -64.47 -35.8 82.13 Favored 'General case' 0 C--O 1.244 0.806 0 C-N-CA 119.41 -0.916 . . . . 47.54 111.019 178.744 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.61 -39.17 64.77 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 112.048 0.388 . . . . 50.88 112.048 -175.008 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 80' ' ' LYS . . . . . . . . . . . . . 56.4 tttt -44.13 -41.42 5.63 Favored 'General case' 0 C--O 1.236 0.37 0 O-C-N 122.255 -0.278 . . . . 48.92 111.389 -174.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 81' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -93.46 -33.67 13.72 Favored 'General case' 0 CA--C 1.517 -0.322 0 C-N-CA 124.066 0.946 . . . . 60.7 113.161 -179.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 82' ' ' GLU . . . . . 0.505 ' O ' ' HG ' ' F' ' 86' ' ' LEU . 5.0 mm-40 -70.91 -33.23 70.33 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.482 -0.887 . . . . 50.07 110.862 177.583 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 83' ' ' ARG . . . . . 0.635 ' NH2' ' OG ' ' F' ' 99' ' ' SER . 14.6 ttm105 -68.29 -44.94 74.38 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 120.454 -0.498 . . . . 63.84 110.686 178.652 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 84' ' ' LYS . . . . . . . . . . . . . 14.8 mmtp -59.26 -41.03 87.87 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 120.842 -0.343 . . . . 72.97 110.886 173.304 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 85' ' ' ARG . . . . . 0.51 ' NH1' ' OE1' ' F' ' 89' ' ' GLN . 1.1 tmm_? -73.1 -41.37 64.13 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 120.929 -0.308 . . . . 65.45 111.276 -176.626 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 86' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' F' ' 82' ' ' GLU . 21.3 mt -67.61 -25.68 65.87 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 120.518 -0.473 . . . . 68.45 111.866 176.579 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 87' ' ' ALA . . . . . . . . . . . . . . . -78.34 -39.66 38.85 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 111.609 0.226 . . . . 84.69 111.609 -176.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -47.96 -58.03 4.95 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.238 -0.585 . . . . 105.19 111.229 168.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 89' ' ' GLN . . . . . 0.51 ' OE1' ' NH1' ' F' ' 85' ' ' ARG . 2.5 mt-30 -63.95 -32.27 73.74 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 119.502 -0.879 . . . . 87.94 111.916 -179.328 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 90' ' ' ASN . . . . . 0.73 ' HB3' HD12 ' F' ' 93' ' ' LEU . 28.7 m-80 -122.45 73.49 40.99 Favored Pre-proline 0 C--O 1.24 0.594 0 N-CA-C 109.158 -0.682 . . . . 95.53 109.158 -173.392 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 91' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -84.08 -19.03 4.93 Favored 'Trans proline' 0 C--O 1.239 0.568 0 N-CA-C 114.043 0.747 . . . . 99.61 114.043 -169.213 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 92' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' F' ' 92' ' ' ASP . 9.2 p-10 -72.78 -32.97 65.99 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 118.321 0.51 . . . . 115.71 112.075 178.099 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 93' ' ' LEU . . . . . 0.73 HD12 ' HB3' ' F' ' 90' ' ' ASN . 70.0 mt -72.25 132.28 43.86 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 112.654 0.613 . . . . 108.91 112.654 -161.156 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 94' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -49.01 145.12 4.2 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.445 -0.798 . . . . 112.21 109.38 171.276 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 95' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -68.58 -33.52 74.21 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 119.647 -0.821 . . . . 84.67 111.766 -171.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.51 -31.21 71.93 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 111.857 0.317 . . . . 85.51 111.857 -175.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 97' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -71.52 -38.76 71.08 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 120.203 -0.599 . . . . 91.65 110.833 177.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 98' ' ' LEU . . . . . 0.412 HD22 ' HE1' ' F' ' 101' ' ' MET . 16.0 mt -50.73 -41.82 56.71 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.688 -0.405 . . . . 86.08 110.824 177.033 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 99' ' ' SER . . . . . 0.635 ' OG ' ' NH2' ' F' ' 83' ' ' ARG . 4.6 m -57.65 -39.63 77.45 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.179 -0.608 . . . . 69.85 111.043 179.389 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 100' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -63.47 -31.46 72.63 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.996 -0.682 . . . . 73.64 111.441 177.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 101' ' ' MET . . . . . 0.412 ' HE1' HD22 ' F' ' 98' ' ' LEU . 25.7 mtm -68.14 -52.39 35.28 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 120.261 -0.576 . . . . 91.8 110.587 174.421 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 102' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' F' ' 99' ' ' SER . 3.4 mt -59.0 -29.64 67.39 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 120.621 -0.432 . . . . 62.92 111.439 -176.738 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 103' ' ' GLY . . . . . . . . . . . . . . . -69.05 -52.99 20.78 Favored Glycine 0 C--N 1.335 0.521 0 C-N-CA 120.721 -0.752 . . . . 56.7 113.228 -176.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 104' ' ' LYS . . . . . . . . . . . . . 24.2 ttmt -68.63 -31.38 70.49 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 118.19 -1.404 . . . . 76.01 111.278 178.215 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 105' ' ' SER . . . . . . . . . . . . . 2.0 t -60.64 -58.8 6.92 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.339 0.59 . . . . 65.95 110.851 175.699 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 106' ' ' TRP . . . . . 0.539 ' CZ2' ' HD3' ' F' ' 114' ' ' LYS . 13.5 t-105 -56.26 -40.68 74.58 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.267 -0.424 . . . . 47.35 111.564 -179.623 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 107' ' ' LYS . . . . . 0.419 ' HA ' ' HE2' ' F' ' 107' ' ' LYS . 4.9 mmpt? -76.75 22.02 0.19 Allowed 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 118.167 -1.413 . . . . 70.11 110.924 176.177 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 108' ' ' ALA . . . . . . . . . . . . . . . -131.9 22.67 4.58 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 122.902 0.481 . . . . 41.44 111.467 174.617 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 109' ' ' LEU . . . . . . . . . . . . . 4.0 mt -115.57 147.34 40.84 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.121 -1.066 . . . . 36.62 108.121 177.044 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 110' ' ' THR . . . . . 0.712 ' HB ' ' H ' ' F' ' 113' ' ' GLU . 5.9 m -52.85 157.09 1.77 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.738 -0.664 . . . . 46.43 111.054 173.78 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 111' ' ' LEU . . . . . . . . . . . . . 14.8 mt -68.99 -21.22 64.16 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 118.56 -1.256 . . . . 48.45 110.657 166.26 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 112' ' ' ALA . . . . . 0.678 ' H ' HG22 ' F' ' 110' ' ' THR . . . -76.43 -42.38 44.27 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-N 118.136 0.426 . . . . 36.35 110.557 169.041 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 113' ' ' GLU . . . . . 0.712 ' H ' ' HB ' ' F' ' 110' ' ' THR . 11.8 mt-10 -61.76 -16.41 49.28 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 118.897 -0.573 . . . . 61.29 112.439 175.746 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 114' ' ' LYS . . . . . 0.539 ' HD3' ' CZ2' ' F' ' 106' ' ' TRP . 18.1 ptpt -121.81 8.56 9.98 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 118.755 0.707 . . . . 39.54 112.72 175.142 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 115' ' ' ARG . . . . . . . . . . . . . 40.2 ttp85 -55.87 -47.35 98.94 Favored Pre-proline 0 C--O 1.245 0.86 0 CA-C-O 117.9 -1.047 . . . . 60.19 112.827 172.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 116' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -63.31 -25.4 71.61 Favored 'Trans proline' 0 C--N 1.348 0.55 0 CA-C-N 121.191 1.461 . . . . 26.01 114.534 -175.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 117' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -78.66 -26.35 45.06 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 119.547 -0.861 . . . . 36.7 111.7 174.761 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 118' ' ' VAL . . . . . . . . . . . . . 89.5 t -63.36 -41.72 93.75 Favored 'Isoleucine or valine' 0 C--O 1.242 0.668 0 C-N-CA 118.633 -1.227 . . . . 24.22 109.528 168.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 119' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -66.34 -37.56 85.63 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 119.456 -0.898 . . . . 70.95 110.999 -175.763 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 120' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -67.45 -48.66 66.59 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 120.749 -0.38 . . . . 44.9 111.588 179.056 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 121' ' ' ALA . . . . . . . . . . . . . . . -54.51 -46.13 73.44 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 119.642 -0.823 . . . . 34.67 111.043 176.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.18 -60.03 2.33 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 113.209 0.818 . . . . 39.88 113.209 165.791 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 123' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -53.76 -48.54 69.62 Favored 'General case' 0 C--O 1.242 0.659 0 C-N-CA 120.324 -0.551 . . . . 36.66 109.876 -173.543 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 124' ' ' LEU . . . . . . . . . . . . . 1.5 mp -65.52 -47.71 74.99 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-N 115.674 -0.694 . . . . 43.64 111.315 179.038 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 125' ' ' ARG . . . . . . . . . . . . . 31.0 ttm105 -55.66 -39.45 70.94 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 118.41 -1.316 . . . . 62.13 111.655 178.297 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 126' ' ' VAL . . . . . . . . . . . . . 51.6 t -68.44 -38.86 79.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 119.859 -0.737 . . . . 30.12 111.01 177.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 127' ' ' GLN . . . . . 0.547 ' OE1' ' NH1' ' D' ' 69' ' ' ARG . 1.1 tt0 -67.54 -30.78 70.52 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.635 -0.426 . . . . 41.97 111.654 174.539 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 128' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -64.87 -42.98 94.38 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.814 0.34 . . . . 39.44 110.56 175.66 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 129' ' ' MET . . . . . . . . . . . . . 4.0 tpt -54.27 -42.17 69.66 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 116.305 -0.407 . . . . 68.33 111.027 174.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 130' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -66.22 -46.01 78.71 Favored 'General case' 0 CA--C 1.515 -0.391 0 C-N-CA 120.704 -0.398 . . . . 73.33 111.101 177.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 131' ' ' ASP . . . . . 0.504 ' OD1' ' NH1' ' D' ' 69' ' ' ARG . 11.6 m-20 -56.7 -42.36 79.01 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 120.873 0.368 . . . . 30.48 111.189 -178.879 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 132' ' ' HIS . . . . . . . . . . . . . 35.0 m-70 -119.1 85.05 28.74 Favored Pre-proline 0 C--O 1.241 0.647 0 C-N-CA 122.552 0.341 . . . . 36.29 111.23 -175.385 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 133' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -51.73 133.45 44.8 Favored 'Trans proline' 0 CA--C 1.513 -0.55 0 C-N-CA 120.787 0.991 . . . . 36.44 111.451 -177.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 134' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 55.72 42.16 29.58 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.169 -0.923 . . . . 72.27 111.158 174.528 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 135' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -57.39 142.9 42.14 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.574 0.702 . . . . 56.99 111.314 179.302 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 136' ' ' LYS . . . . . . . . . . . . . 2.6 mmtm -135.74 115.64 13.12 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 107.852 -1.166 . . . . 62.59 107.852 179.647 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 137' ' ' TYR . . . . . 0.604 ' CZ ' ' HG3' ' F' ' 139' ' ' PRO . 8.1 t80 -74.42 108.05 6.95 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 119.268 -0.973 . . . . 52.96 109.078 176.432 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 138' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -111.57 94.2 22.36 Favored Pre-proline 0 C--O 1.238 0.457 0 N-CA-C 108.984 -0.746 . . . . 88.09 108.984 179.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 139' ' ' PRO . . . . . 0.604 ' HG3' ' CZ ' ' F' ' 137' ' ' TYR . 3.4 Cg_exo -82.68 143.48 12.0 Favored 'Trans proline' 0 C--N 1.333 -0.262 0 CA-C-N 119.129 0.725 . . . . 55.8 111.293 176.904 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 140' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -92.31 158.86 15.88 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.765 0.793 . . . . 154.58 111.247 -176.248 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 141' ' ' ARG . . . . . . . . . . . . . 12.4 ttp-105 . . . . . 0 CA--C 1.522 -0.124 0 CA-C-N 114.697 -1.138 . . . . 96.82 109.329 174.536 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 201' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_