data_1h3l_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1h3l _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 28' ' ' SER . . . . . 0.412 ' OG ' ' OE1' ' A' ' 31' ' ' GLU . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.664 0 N-CA-C 104.624 -2.361 . . . . 65.94 104.624 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.7 m -85.66 -28.92 24.41 Favored 'General case' 0 C--O 1.254 1.312 0 N-CA-C 104.993 -2.225 . . . . 66.39 104.993 -178.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.86 -34.18 57.83 Favored 'General case' 0 N--CA 1.436 -1.152 0 CA-C-N 114.706 -1.134 . . . . 57.36 111.343 -177.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLU . . . . . 0.412 ' OE1' ' OG ' ' A' ' 28' ' ' SER . 1.9 mt-10 -68.62 -49.95 55.22 Favored 'General case' 0 C--O 1.247 0.935 0 N-CA-C 112.701 0.63 . . . . 66.59 112.701 -177.941 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . . . -55.23 -55.49 30.7 Favored 'General case' 0 N--CA 1.433 -1.283 0 N-CA-C 106.634 -1.617 . . . . 41.74 106.634 178.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.15 -30.84 60.65 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 115.335 1.606 . . . . 38.33 115.335 179.116 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.54 -27.88 34.17 Favored 'General case' 0 CA--C 1.487 -1.448 0 C-N-CA 117.528 -1.669 . . . . 30.28 107.044 -176.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.0 ttp-105 -72.2 -43.75 64.01 Favored 'General case' 0 CA--C 1.571 1.773 0 CA-C-N 114.584 -1.189 . . . . 53.9 108.538 178.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -55.96 -39.36 71.65 Favored 'General case' 0 C--O 1.285 2.949 0 O-C-N 121.368 -0.832 . . . . 39.69 112.307 174.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLU . . . . . 0.497 ' OE1' ' OH ' ' B' ' 90' ' ' TYR . 12.8 mt-10 -64.45 -47.18 80.02 Favored 'General case' 0 CA--C 1.492 -1.28 0 N-CA-C 109.43 -0.582 . . . . 33.62 109.43 -176.286 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 43.7 mtm-85 -69.74 -36.88 76.21 Favored 'General case' 0 CA--C 1.489 -1.378 0 N-CA-C 108.797 -0.816 . . . . 30.57 108.797 -176.361 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -62.73 -44.71 95.5 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 117.678 -1.609 . . . . 34.35 107.214 178.335 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.83 -39.66 92.58 Favored 'General case' 0 CA--C 1.474 -1.955 0 C-N-CA 120.542 -0.463 . . . . 23.14 109.812 -177.082 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 38.2 mt -74.82 -24.04 58.56 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-O 124.998 2.332 . . . . 29.31 112.378 -172.63 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLU . . . . . 0.442 ' OE1' ' NH2' ' B' ' 53' ' ' ARG . 80.5 tt0 -56.76 -38.55 72.62 Favored 'General case' 0 N--CA 1.409 -2.495 0 N-CA-C 104.724 -2.324 . . . . 37.83 104.724 175.616 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -82.89 -6.83 59.63 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 116.662 2.097 . . . . 31.65 116.662 -178.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.4 tp -43.22 -42.89 4.47 Favored 'General case' 0 C--O 1.181 -2.514 0 CA-C-O 122.451 1.12 . . . . 30.14 113.34 -175.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.251 45.0 t0 -72.97 -35.27 66.88 Favored 'General case' 0 N--CA 1.404 -2.775 0 C-N-CA 116.906 -1.918 . . . . 41.24 114.033 -175.932 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLN . . . . . 0.519 ' NE2' ' OH ' ' A' ' 90' ' ' TYR . 2.0 tp60 -69.23 -30.03 68.1 Favored 'General case' 1 N--CA 1.338 -6.037 0 N-CA-C 102.72 -3.067 . . . . 24.94 102.72 -179.354 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.0 mtt -77.07 -24.87 51.89 Favored 'General case' 0 CA--C 1.505 -0.775 0 N-CA-C 117.176 2.288 . . . . 32.38 117.176 -178.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -87.32 -30.08 21.1 Favored 'General case' 0 C--O 1.194 -1.822 0 N-CA-C 106.421 -1.696 . . . . 25.9 106.421 -178.296 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . 0.282 0.6 OUTLIER -67.7 -38.12 83.2 Favored 'General case' 0 N--CA 1.408 -2.544 0 CA-C-N 115.231 -0.895 . . . . 32.94 110.92 177.931 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.99 -38.57 72.69 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 103.164 -2.902 . . . . 30.08 103.164 178.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . 0.316 . . -66.72 -27.45 67.64 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 117.991 -1.483 . . . . 32.93 113.349 -179.268 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 36.1 mt -64.71 -30.85 71.88 Favored 'General case' 0 N--CA 1.434 -1.256 0 C-N-CA 116.514 -2.074 . . . . 37.44 110.107 174.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 -84.67 -20.77 30.73 Favored 'General case' 0 CA--C 1.476 -1.886 0 N-CA-C 113.264 0.838 . . . . 46.54 113.264 -169.122 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 42.2 mtp -91.71 -20.87 21.11 Favored 'General case' 0 CA--C 1.558 1.268 0 N-CA-C 116.946 2.202 . . . . 35.2 116.946 176.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' THR . . . . . 0.58 ' O ' ' C ' ' A' ' 56' ' ' ARG . 40.0 p -115.19 -10.5 12.13 Favored 'General case' 0 CA--C 1.499 -1.002 0 CA-C-O 121.464 0.65 . . . . 40.52 109.866 -176.17 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ARG . . . . . 0.58 ' C ' ' O ' ' A' ' 55' ' ' THR . 3.0 mpt_? 38.87 58.85 1.7 Allowed 'General case' 0 N--CA 1.441 -0.906 0 C-N-CA 118.632 -1.227 . . . . 64.44 109.22 -178.904 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ASN . . . . . 0.478 ' O ' ' N ' ' A' ' 61' ' ' ALA . 27.6 t-20 176.74 102.87 0.11 Allowed Pre-proline 0 CA--C 1.582 2.182 0 CA-C-O 122.271 1.034 . . . . 49.02 113.777 177.713 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -35.93 -59.99 0.37 Allowed 'Trans proline' 0 N--CA 1.49 1.28 0 C-N-CA 122.458 2.106 . . . . 41.87 112.593 -179.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.7 -49.43 47.78 Favored 'General case' 0 N--CA 1.436 -1.152 0 O-C-N 121.046 -1.034 . . . . 36.02 111.928 177.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -71.86 -37.88 70.17 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 118.196 -1.401 . . . . 49.12 108.944 179.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -54.93 -43.05 73.01 Favored 'General case' 0 CA--C 1.562 1.426 0 C-N-CA 116.708 -1.997 . . . . 23.04 109.585 179.032 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLU . . . . . 0.428 ' OE2' ' ND2' ' B' ' 95' ' ' ASN . 69.2 tt0 -67.52 -44.2 78.96 Favored 'General case' 0 CA--C 1.479 -1.758 0 C-N-CA 120.129 -0.628 . . . . 39.77 109.553 -175.823 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -64.38 -43.09 95.57 Favored 'General case' 0 C--O 1.249 1.064 0 N-CA-C 107.733 -1.21 . . . . 46.45 107.733 -173.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 47.9 tp -59.19 -52.36 66.03 Favored 'General case' 0 CA--C 1.562 1.439 0 CA-C-N 115.56 -0.746 . . . . 29.66 112.474 176.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . 0.322 0.0 OUTLIER -52.09 -48.11 42.37 Favored 'Isoleucine or valine' 0 C--O 1.287 3.045 0 C-N-CA 114.922 -2.711 . . . . 31.63 114.693 172.148 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -60.02 -40.43 89.27 Favored 'General case' 0 CA--C 1.434 -3.504 0 CA-C-O 122.344 1.069 . . . . 26.73 109.031 -170.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -73.84 -29.49 62.16 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.963 1.363 . . . . 41.45 108.925 -173.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 95.1 m -66.42 -50.59 62.89 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 122.423 1.106 . . . . 24.86 110.305 179.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' TYR . . . . . 0.456 ' O ' ' N ' ' A' ' 73' ' ' TYR . 15.3 m-85 -58.0 -44.91 87.49 Favored 'General case' 0 N--CA 1.527 3.422 0 CA-C-N 115.302 -0.863 . . . . 23.62 113.022 177.344 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.87 -45.6 89.79 Favored 'General case' 0 CA--C 1.483 -1.622 0 N-CA-C 106.035 -1.839 . . . . 25.24 106.035 177.239 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . -63.97 -39.77 94.88 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 117.589 -1.645 . . . . 29.37 107.582 179.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.99 -47.55 77.12 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 108.081 -1.081 . . . . 28.76 108.081 -176.453 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' TYR . . . . . 0.456 ' N ' ' O ' ' A' ' 69' ' ' TYR . 14.2 m-85 -58.13 -40.12 80.49 Favored 'General case' 0 N--CA 1.502 2.15 0 C-N-CA 118.451 -1.299 . . . . 31.2 110.689 -179.478 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.1 -17.26 64.32 Favored 'General case' 0 C--O 1.263 1.801 0 N-CA-C 115.922 1.823 . . . . 37.03 115.922 -177.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' SER . . . . . 0.524 ' O ' ' C ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -113.42 2.86 15.58 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 116.074 1.879 . . . . 44.74 116.074 -178.725 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' PHE . . . . . 0.524 ' C ' ' O ' ' A' ' 75' ' ' SER . 5.4 t80 -36.26 -37.32 0.12 Allowed 'General case' 0 C--O 1.207 -1.14 0 C-N-CA 119.561 -0.856 . . . . 54.05 110.309 177.588 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -53.09 -38.07 62.25 Favored 'General case' 0 CA--C 1.5 -0.95 0 C-N-CA 119.636 -0.826 . . . . 66.17 111.645 -175.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -85.27 -11.51 54.62 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 116.844 2.164 . . . . 67.27 116.844 -178.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -80.29 120.91 24.98 Favored 'General case' 0 CA--C 1.482 -1.654 0 N-CA-C 102.165 -3.272 . . . . 59.05 102.165 -176.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . 0.385 0.0 OUTLIER -77.86 -90.95 0.04 OUTLIER 'General case' 0 C--O 1.25 1.126 0 N-CA-C 120.982 3.697 . . . . 62.75 120.982 -171.032 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . . . -142.44 -55.04 0.43 Allowed 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 115.666 1.728 . . . . 63.64 115.666 -175.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' GLY . . . . . 0.612 ' O ' ' C ' ' A' ' 83' ' ' THR . . . -93.64 -43.8 3.84 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 114.589 0.596 . . . . 61.45 114.589 179.557 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' THR . . . . . 0.612 ' C ' ' O ' ' A' ' 82' ' ' GLY 0.327 0.3 OUTLIER -2.83 123.21 0.0 OUTLIER 'General case' 0 C--O 1.208 -1.098 0 CA-C-O 118.912 -0.566 . . . . 57.26 110.449 168.216 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -66.34 122.43 17.48 Favored 'General case' 0 CA--C 1.562 1.425 0 N-CA-C 106.893 -1.521 . . . . 47.78 106.893 175.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.4 tp -62.23 -53.26 57.72 Favored 'General case' 0 C--O 1.17 -3.119 0 N-CA-C 114.428 1.269 . . . . 39.7 114.428 -176.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -46.85 -44.22 19.29 Favored 'General case' 0 N--CA 1.427 -1.579 0 N-CA-C 113.581 0.956 . . . . 42.29 113.581 174.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.73 -28.9 62.92 Favored 'General case' 0 CA--C 1.486 -1.504 0 CA-C-N 118.891 0.769 . . . . 27.75 109.652 -176.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -70.09 -42.0 73.33 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-N 115.995 -0.548 . . . . 37.16 110.938 177.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.11 -49.7 68.96 Favored 'General case' 0 CA--C 1.578 2.035 0 O-C-N 121.892 -0.505 . . . . 24.92 111.104 173.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' TYR . . . . . 0.519 ' OH ' ' NE2' ' A' ' 46' ' ' GLN . 3.8 m-30 -44.45 -48.29 9.97 Favored 'General case' 0 N--CA 1.513 2.702 0 C-N-CA 124.035 0.934 . . . . 21.7 108.67 176.011 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.53 -38.22 83.73 Favored 'General case' 0 C--O 1.282 2.808 0 N-CA-C 114.921 1.452 . . . . 46.71 114.921 177.267 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.5 mt -74.3 -37.06 44.65 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.005 0 N-CA-C 107.912 -1.144 . . . . 24.18 107.912 178.9 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 38.9 tp -64.64 -38.66 91.75 Favored 'General case' 0 C--O 1.273 2.296 0 N-CA-C 113.439 0.903 . . . . 25.04 113.439 178.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.8 p -72.21 -40.5 67.78 Favored 'General case' 0 C--O 1.198 -1.616 0 N-CA-C 107.559 -1.274 . . . . 27.53 107.559 -178.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ASN . . . . . 0.403 ' O ' ' ND2' ' A' ' 99' ' ' ASN . 5.2 t-20 -59.16 -37.65 77.84 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 112.765 0.654 . . . . 31.9 112.765 178.842 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.3 m -76.53 -36.34 57.76 Favored 'General case' 0 N--CA 1.403 -2.777 0 N-CA-C 113.748 1.018 . . . . 25.73 113.748 176.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -57.16 -46.24 82.94 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 107.763 -1.199 . . . . 33.39 107.763 177.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 63.2 mt -67.32 -56.15 14.63 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 CA-C-N 113.696 -1.593 . . . . 35.46 110.918 -172.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' ASN . . . . . 0.403 ' ND2' ' O ' ' A' ' 95' ' ' ASN . 20.4 m-80 -79.07 -3.71 46.62 Favored 'General case' 0 C--O 1.209 -1.077 0 N-CA-C 119.895 3.294 . . . . 51.07 119.895 -176.283 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 101' ' ' TYR . 69.7 m -125.54 -74.4 0.61 Allowed 'General case' 0 CA--C 1.484 -1.561 0 N-CA-C 108.433 -0.951 . . . . 52.01 108.433 179.658 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' TYR . . . . . 0.878 ' CD1' ' N ' ' A' ' 102' ' ' ARG . 11.4 t80 -63.81 -166.67 0.02 OUTLIER 'General case' 0 N--CA 1.417 -2.116 0 N-CA-C 104.233 -2.506 . . . . 66.25 104.233 174.365 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ARG . . . . . 0.878 ' N ' ' CD1' ' A' ' 101' ' ' TYR . 1.5 mmm180 . . . . . 0 N--CA 1.474 0.739 0 N-CA-C 108.946 -0.761 . . . . 55.62 108.946 -174.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.523 4.495 1 N-CA-C 131.855 7.502 . . . . 58.8 131.855 . . . . . . . . . 2 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . 97.34 45.75 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.607 1 N-CA-C 94.046 -6.279 . . . . 59.56 94.046 -170.722 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' GLU . . . . . 0.971 ' O ' ' OG ' ' B' ' 28' ' ' SER . . . -97.88 -90.78 0.27 Allowed 'General case' 0 CA--C 1.444 -3.11 0 N-CA-C 121.581 3.919 . . . . 56.16 121.581 -166.826 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' SER . . . . . 1.098 ' OG ' ' OE1' ' B' ' 31' ' ' GLU . 0.0 OUTLIER 73.38 102.46 0.07 Allowed 'General case' 0 C--O 1.253 1.248 1 N-CA-C 97.615 -4.957 . . . . 50.23 97.615 -165.232 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 12.0 m -45.74 -32.29 2.42 Favored 'General case' 0 N--CA 1.415 -2.206 0 CA-C-N 114.701 -1.136 . . . . 41.38 108.313 178.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.8 -48.37 82.09 Favored 'General case' 0 C--O 1.177 -2.752 0 N-CA-C 112.82 0.674 . . . . 35.37 112.82 -179.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' GLU . . . . . 1.098 ' OE1' ' OG ' ' B' ' 28' ' ' SER . 8.4 mt-10 -67.49 -39.38 85.22 Favored 'General case' 0 N--CA 1.425 -1.69 0 N-CA-C 108.448 -0.945 . . . . 55.49 108.448 179.611 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -67.07 -44.5 79.92 Favored 'General case' 0 C--O 1.181 -2.504 0 N-CA-C 106.897 -1.52 . . . . 58.16 106.897 -175.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 22.6 t -65.45 -28.13 69.0 Favored 'General case' 0 N--CA 1.381 -3.92 0 C-N-CA 119.741 -0.784 . . . . 42.29 112.161 -176.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.09 -33.0 30.0 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 108.431 -0.952 . . . . 28.57 108.431 179.824 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 30.3 ttp-105 -63.86 -44.16 93.97 Favored 'General case' 0 CA--C 1.593 2.633 0 N-CA-C 106.725 -1.583 . . . . 62.73 106.725 178.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -58.61 -38.71 78.58 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 113.499 0.925 . . . . 30.13 113.499 174.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -64.96 -44.64 88.74 Favored 'General case' 0 CA--C 1.567 1.617 0 C-N-CA 120.209 -0.596 . . . . 31.97 111.818 176.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 88.0 mtm-85 -60.27 -57.34 13.23 Favored 'General case' 0 CA--C 1.577 1.998 0 N-CA-C 110.033 -0.358 . . . . 28.42 110.033 178.039 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -46.19 -46.07 17.22 Favored 'General case' 0 C--O 1.198 -1.654 0 CA-C-O 121.371 0.605 . . . . 35.64 111.089 176.815 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.41 -45.62 83.24 Favored 'General case' 0 C--O 1.298 3.624 0 CA-C-O 121.946 0.879 . . . . 26.48 112.484 -178.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 19.3 mt -65.76 -23.72 66.79 Favored 'General case' 0 CA--C 1.487 -1.463 0 CA-C-N 114.027 -1.442 . . . . 25.86 111.087 -176.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -63.79 -30.24 71.35 Favored 'General case' 0 CA--C 1.612 3.329 0 O-C-N 123.486 0.491 . . . . 47.71 110.681 176.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -94.57 1.5 55.65 Favored 'General case' 0 N--CA 1.483 1.186 0 O-C-N 121.707 -0.621 . . . . 36.91 111.098 -178.74 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 tp -52.06 -30.92 27.94 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 115.198 1.555 . . . . 33.85 115.198 -178.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -73.39 -45.95 51.71 Favored 'General case' 0 C--O 1.191 -1.983 0 C-N-CA 119.526 -0.87 . . . . 39.77 108.699 -176.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 32.7 tp60 -57.86 -44.06 86.37 Favored 'General case' 0 N--CA 1.42 -1.933 0 N-CA-C 106.813 -1.551 . . . . 33.8 106.813 178.016 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 8.7 mmt -70.41 -35.31 73.36 Favored 'General case' 0 CA--C 1.466 -2.262 0 CA-C-O 122.27 1.033 . . . . 28.75 113.718 -176.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -70.13 -39.23 75.55 Favored 'General case' 0 C--O 1.194 -1.839 0 CA-C-N 115.451 -0.795 . . . . 23.48 109.029 176.11 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 43.6 m -63.12 -52.91 60.69 Favored 'General case' 0 CA--C 1.609 3.25 0 N-CA-C 104.028 -2.582 . . . . 28.83 104.028 -177.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.08 -41.14 59.76 Favored 'General case' 0 C--O 1.256 1.399 0 N-CA-C 107.745 -1.206 . . . . 25.38 107.745 178.72 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.22 -21.87 61.34 Favored 'General case' 0 C--O 1.285 2.973 0 C-N-CA 116.821 -1.952 . . . . 23.89 113.643 -177.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 13.3 mt -70.19 -38.86 75.43 Favored 'General case' 0 CA--C 1.571 1.771 0 C-N-CA 115.849 -2.341 . . . . 34.62 107.059 177.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' ARG . . . . . 0.442 ' NH2' ' OE1' ' A' ' 42' ' ' GLU 0.312 68.7 mtp180 -64.62 -31.15 72.25 Favored 'General case' 0 C--O 1.199 -1.555 0 N-CA-C 117.507 2.41 . . . . 33.06 117.507 177.372 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 5.0 mtp -84.31 -26.64 28.37 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.293 1.59 . . . . 33.56 115.293 -178.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' THR . . . . . 0.589 ' O ' ' C ' ' B' ' 56' ' ' ARG . 41.0 p -113.23 -15.03 12.79 Favored 'General case' 0 CA--C 1.44 -3.261 0 N-CA-C 108.672 -0.862 . . . . 34.01 108.672 -172.784 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' ARG . . . . . 0.589 ' C ' ' O ' ' B' ' 55' ' ' THR . 1.9 mpt_? 39.23 69.11 0.3 Allowed 'General case' 0 C--O 1.271 2.195 0 N-CA-C 104.837 -2.283 . . . . 68.84 104.837 -178.591 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 169.54 98.71 0.04 OUTLIER Pre-proline 0 N--CA 1.489 1.509 0 O-C-N 124.549 1.155 . . . . 53.26 113.149 178.04 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -40.55 -48.99 4.23 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.883 2.389 . . . . 38.49 113.752 -175.183 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.13 -51.67 68.36 Favored 'General case' 0 N--CA 1.427 -1.614 0 CA-C-N 116.325 -0.398 . . . . 35.24 111.715 179.594 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -67.2 -34.26 77.12 Favored 'General case' 0 C--O 1.196 -1.714 0 N-CA-C 108.884 -0.784 . . . . 46.95 108.884 -179.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.56 -39.59 88.59 Favored 'General case' 0 CA--C 1.578 2.028 0 C-N-CA 118.047 -1.461 . . . . 31.11 110.934 -179.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -63.28 -53.32 54.66 Favored 'General case' 0 C--O 1.197 -1.679 0 N-CA-C 107.669 -1.234 . . . . 40.15 107.669 -179.214 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -48.93 -49.52 39.8 Favored 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 108.957 -0.757 . . . . 48.29 108.957 178.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 15.0 tp -59.99 -47.91 83.86 Favored 'General case' 0 C--O 1.246 0.914 0 N-CA-C 116.13 1.9 . . . . 31.4 116.13 178.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . 0.267 0.0 OUTLIER -66.26 -34.06 67.68 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 C-N-CA 117.719 -1.593 . . . . 29.5 113.29 175.737 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -67.52 -37.97 83.57 Favored 'General case' 0 C--O 1.276 2.465 0 CA-C-O 121.847 0.832 . . . . 27.62 110.823 -179.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -72.19 -22.82 61.22 Favored 'General case' 0 CA--C 1.471 -2.082 0 N-CA-C 106.39 -1.708 . . . . 55.05 106.39 -176.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 75.2 m -79.6 -54.44 5.88 Favored 'General case' 0 CA--C 1.446 -3.042 0 N-CA-C 108.453 -0.943 . . . . 27.61 108.453 -173.281 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -52.47 -44.35 65.51 Favored 'General case' 0 N--CA 1.502 2.149 0 CA-C-O 123.537 1.637 . . . . 24.49 112.13 175.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.9 -44.04 94.49 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 107.343 -1.354 . . . . 28.77 107.343 -179.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -67.08 -41.92 85.54 Favored 'General case' 0 CA--C 1.48 -1.718 0 N-CA-C 107.691 -1.226 . . . . 48.2 107.691 178.103 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.61 -48.04 78.32 Favored 'General case' 0 CA--C 1.567 1.611 0 C-N-CA 116.617 -2.033 . . . . 29.43 108.309 179.058 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -58.52 -55.81 30.18 Favored 'General case' 0 N--CA 1.508 2.469 0 CA-C-N 119.684 1.129 . . . . 33.35 109.392 -176.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.21 -12.41 3.57 Favored 'General case' 0 C--O 1.196 -1.748 0 N-CA-C 117.974 2.583 . . . . 36.94 117.974 178.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' SER . . . . . 0.406 ' O ' ' C ' ' B' ' 76' ' ' PHE . 16.2 m -112.57 12.11 19.82 Favored 'General case' 0 CA--C 1.453 -2.764 0 CA-C-N 119.333 0.969 . . . . 38.86 109.205 -177.828 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' PHE . . . . . 0.406 ' C ' ' O ' ' B' ' 75' ' ' SER . 17.0 t80 -43.67 -38.35 3.05 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 117.923 -1.511 . . . . 40.02 110.384 177.293 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . 0.301 38.7 p-80 -54.51 -32.7 58.55 Favored 'General case' 0 C--O 1.205 -1.24 0 N-CA-C 117.902 2.556 . . . . 49.99 117.902 -178.126 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -88.36 -6.06 57.94 Favored 'General case' 0 CA--C 1.499 -0.991 0 N-CA-C 116.208 1.929 . . . . 61.24 116.208 177.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' PHE . . . . . 0.893 ' O ' ' NH1' ' B' ' 80' ' ' ARG . 81.5 t80 -76.87 146.52 37.63 Favored 'General case' 0 C--O 1.185 -2.325 0 N-CA-C 107.001 -1.481 . . . . 52.85 107.001 -176.709 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' ARG . . . . . 0.893 ' NH1' ' O ' ' B' ' 79' ' ' PHE . 0.0 OUTLIER -105.62 -117.76 0.23 Allowed 'General case' 0 N--CA 1.494 1.768 1 N-CA-C 122.421 4.23 . . . . 72.96 122.421 -172.271 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . . . -102.06 -74.25 0.63 Allowed 'General case' 0 CA--C 1.494 -1.204 0 C-N-CA 119.865 -0.734 . . . . 59.81 112.188 -178.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' GLY . . . . . 0.658 ' O ' ' C ' ' B' ' 83' ' ' THR . . . -104.01 -7.25 41.5 Favored Glycine 0 C--O 1.255 1.456 0 N-CA-C 111.612 -0.595 . . . . 57.9 111.612 -177.857 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' THR . . . . . 0.658 ' C ' ' O ' ' B' ' 82' ' ' GLY 0.392 0.2 OUTLIER -20.49 115.41 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 105.702 -1.962 . . . . 51.91 105.702 173.096 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' ASN . . . . . 0.512 ' OD1' ' N ' ' B' ' 87' ' ' ALA . 9.6 t-20 -60.13 128.35 36.38 Favored 'General case' 0 CA--C 1.5 -0.961 0 N-CA-C 105.706 -1.961 . . . . 44.61 105.706 178.361 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 11.2 tp -68.88 -44.39 73.34 Favored 'General case' 0 CA--C 1.496 -1.122 0 CA-C-O 121.917 0.865 . . . . 37.06 110.029 -174.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -56.58 -47.09 80.3 Favored 'General case' 0 C--O 1.277 2.501 0 CA-C-N 114.561 -1.2 . . . . 45.99 111.33 -179.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' ALA . . . . . 0.512 ' N ' ' OD1' ' B' ' 84' ' ' ASN . . . -64.32 -43.21 95.36 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 105.423 -2.066 . . . . 24.06 105.423 -174.571 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' TRP . . . . . . . . . . . . . 25.5 t90 -61.85 -41.6 98.03 Favored 'General case' 0 C--O 1.274 2.389 0 CA-C-N 115.194 -0.912 . . . . 38.16 112.382 179.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 37.9 mt -70.38 -40.3 74.06 Favored 'General case' 0 CA--C 1.56 1.339 0 C-N-CA 117.135 -1.826 . . . . 25.26 108.162 177.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' TYR . . . . . 0.523 ' O ' ' N ' ' B' ' 94' ' ' THR . 10.1 m-85 -51.29 -52.34 45.93 Favored 'General case' 1 N--CA 1.56 5.05 0 O-C-N 120.439 -1.413 . . . . 20.44 112.453 176.085 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 13.3 ttt85 -49.74 -46.83 50.85 Favored 'General case' 0 C--O 1.299 3.689 0 N-CA-C 119.723 3.231 . . . . 37.9 119.723 171.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 75.8 mt -69.66 -43.73 79.98 Favored 'Isoleucine or valine' 0 C--O 1.29 3.235 0 CA-C-O 122.776 1.274 . . . . 24.82 107.824 177.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 44.6 tp -56.21 -44.96 80.02 Favored 'General case' 0 C--O 1.275 2.404 0 C-N-CA 118.514 -1.274 . . . . 23.44 107.563 174.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' THR . . . . . 0.523 ' N ' ' O ' ' B' ' 90' ' ' TYR 0.267 5.5 p -65.4 -42.0 93.06 Favored 'General case' 0 N--CA 1.523 3.198 0 C-N-CA 115.551 -2.459 . . . . 29.65 110.567 -176.322 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' ASN . . . . . 0.428 ' ND2' ' OE2' ' A' ' 62' ' ' GLU . 12.6 t-20 -63.37 -36.03 82.37 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 122.94 1.353 . . . . 33.03 110.516 -176.802 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 45.4 m -75.12 -45.02 43.8 Favored 'General case' 0 CA--C 1.434 -3.518 0 C-N-CA 117.485 -1.686 . . . . 27.7 106.763 -172.913 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -51.67 -47.71 63.72 Favored 'General case' 0 N--CA 1.508 2.427 0 C-N-CA 117.897 -1.521 . . . . 40.03 113.552 174.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' ILE . . . . . . . . . . . . . 98.9 mt -64.36 -53.13 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 118.63 -1.228 . . . . 39.43 109.998 -177.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . 0.299 69.3 m-80 -71.77 -39.46 69.94 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 119.259 3.059 . . . . 52.81 119.259 -174.258 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 1.9 m -94.03 -31.61 14.16 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 118.863 -1.135 . . . . 64.16 111.459 -172.246 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' TYR . . . . . 1.472 ' CD1' ' N ' ' B' ' 102' ' ' ARG . 0.4 OUTLIER -103.23 -144.54 0.36 Allowed 'General case' 0 N--CA 1.421 -1.891 0 N-CA-C 106.492 -1.67 . . . . 78.6 106.492 178.567 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' ARG . . . . . 1.472 ' N ' ' CD1' ' B' ' 101' ' ' TYR 0.512 2.4 mtp180 . . . . . 0 CA--C 1.502 -0.868 0 N-CA-C 116.821 2.156 . . . . 70.27 116.821 178.797 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 28' ' ' SER . . . . . 0.412 ' OG ' ' OE1' ' A' ' 31' ' ' GLU . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.664 0 N-CA-C 104.624 -2.361 . . . . 65.94 104.624 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.7 m -85.66 -28.92 24.41 Favored 'General case' 0 C--O 1.254 1.312 0 N-CA-C 104.993 -2.225 . . . . 66.39 104.993 -178.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.86 -34.18 57.83 Favored 'General case' 0 N--CA 1.436 -1.152 0 CA-C-N 114.706 -1.134 . . . . 57.36 111.343 -177.44 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLU . . . . . 0.412 ' OE1' ' OG ' ' A' ' 28' ' ' SER . 1.9 mt-10 -68.62 -49.95 55.22 Favored 'General case' 0 C--O 1.247 0.935 0 N-CA-C 112.701 0.63 . . . . 66.59 112.701 -177.941 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . . . -55.23 -55.49 30.7 Favored 'General case' 0 N--CA 1.433 -1.283 0 N-CA-C 106.634 -1.617 . . . . 41.74 106.634 178.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.15 -30.84 60.65 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 115.335 1.606 . . . . 38.33 115.335 179.116 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ALA . . . . . 0.509 ' O ' ' HG3' ' A' ' 38' ' ' ARG . . . -81.54 -27.88 34.17 Favored 'General case' 0 CA--C 1.487 -1.448 0 C-N-CA 117.528 -1.669 . . . . 30.28 107.044 -176.287 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.0 ttp-105 -72.2 -43.75 64.01 Favored 'General case' 0 CA--C 1.571 1.773 0 CA-C-N 114.584 -1.189 . . . . 53.9 108.538 178.315 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -55.96 -39.36 71.65 Favored 'General case' 0 C--O 1.285 2.949 0 O-C-N 121.368 -0.832 . . . . 39.69 112.307 174.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -64.45 -47.18 80.02 Favored 'General case' 0 CA--C 1.492 -1.28 0 N-CA-C 109.43 -0.582 . . . . 33.62 109.43 -176.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 34' ' ' ALA . 43.7 mtm-85 -69.74 -36.88 76.21 Favored 'General case' 0 CA--C 1.489 -1.378 0 N-CA-C 108.797 -0.816 . . . . 30.57 108.797 -176.361 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -62.73 -44.71 95.5 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 117.678 -1.609 . . . . 34.35 107.214 178.335 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.83 -39.66 92.58 Favored 'General case' 0 CA--C 1.474 -1.955 0 C-N-CA 120.542 -0.463 . . . . 23.14 109.812 -177.082 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 38.2 mt -74.82 -24.04 58.56 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-O 124.998 2.332 . . . . 29.31 112.378 -172.63 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -56.76 -38.55 72.62 Favored 'General case' 0 N--CA 1.409 -2.495 0 N-CA-C 104.724 -2.324 . . . . 37.83 104.724 175.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -82.89 -6.83 59.63 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 116.662 2.097 . . . . 31.65 116.662 -178.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.4 tp -43.22 -42.89 4.47 Favored 'General case' 0 C--O 1.181 -2.514 0 CA-C-O 122.451 1.12 . . . . 30.14 113.34 -175.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ASP . . . . . 0.462 ' O ' ' HB2' ' A' ' 49' ' ' SER 0.251 45.0 t0 -72.97 -35.27 66.88 Favored 'General case' 0 N--CA 1.404 -2.775 0 C-N-CA 116.906 -1.918 . . . . 41.24 114.033 -175.932 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -69.23 -30.03 68.1 Favored 'General case' 1 N--CA 1.338 -6.037 0 N-CA-C 102.72 -3.067 . . . . 24.94 102.72 -179.354 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.0 mtt -77.07 -24.87 51.89 Favored 'General case' 0 CA--C 1.505 -0.775 0 N-CA-C 117.176 2.288 . . . . 32.38 117.176 -178.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -87.32 -30.08 21.1 Favored 'General case' 0 C--O 1.194 -1.822 0 N-CA-C 106.421 -1.696 . . . . 25.9 106.421 -178.296 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' SER . . . . . 0.462 ' HB2' ' O ' ' A' ' 45' ' ' ASP 0.282 0.6 OUTLIER -67.7 -38.12 83.2 Favored 'General case' 0 N--CA 1.408 -2.544 0 CA-C-N 115.231 -0.895 . . . . 32.94 110.92 177.931 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.99 -38.57 72.69 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 103.164 -2.902 . . . . 30.08 103.164 178.447 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . 0.316 . . -66.72 -27.45 67.64 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 117.991 -1.483 . . . . 32.93 113.349 -179.268 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 36.1 mt -64.71 -30.85 71.88 Favored 'General case' 0 N--CA 1.434 -1.256 0 C-N-CA 116.514 -2.074 . . . . 37.44 110.107 174.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 -84.67 -20.77 30.73 Favored 'General case' 0 CA--C 1.476 -1.886 0 N-CA-C 113.264 0.838 . . . . 46.54 113.264 -169.122 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 42.2 mtp -91.71 -20.87 21.11 Favored 'General case' 0 CA--C 1.558 1.268 0 N-CA-C 116.946 2.202 . . . . 35.2 116.946 176.308 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' THR . . . . . 0.58 ' O ' ' C ' ' A' ' 56' ' ' ARG . 40.0 p -115.19 -10.5 12.13 Favored 'General case' 0 CA--C 1.499 -1.002 0 CA-C-O 121.464 0.65 . . . . 40.52 109.866 -176.17 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ARG . . . . . 0.58 ' C ' ' O ' ' A' ' 55' ' ' THR . 3.0 mpt_? 38.87 58.85 1.7 Allowed 'General case' 0 N--CA 1.441 -0.906 0 C-N-CA 118.632 -1.227 . . . . 64.44 109.22 -178.904 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ASN . . . . . 0.475 ' HB2' ' O ' ' A' ' 56' ' ' ARG . 27.6 t-20 176.74 102.87 0.11 Allowed Pre-proline 0 CA--C 1.582 2.182 0 CA-C-O 122.271 1.034 . . . . 49.02 113.777 177.713 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -35.93 -59.99 0.37 Allowed 'Trans proline' 0 N--CA 1.49 1.28 0 C-N-CA 122.458 2.106 . . . . 41.87 112.593 -179.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.7 -49.43 47.78 Favored 'General case' 0 N--CA 1.436 -1.152 0 O-C-N 121.046 -1.034 . . . . 36.02 111.928 177.123 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -71.86 -37.88 70.17 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 118.196 -1.401 . . . . 49.12 108.944 179.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.93 -43.05 73.01 Favored 'General case' 0 CA--C 1.562 1.426 0 C-N-CA 116.708 -1.997 . . . . 23.04 109.585 179.032 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -67.52 -44.2 78.96 Favored 'General case' 0 CA--C 1.479 -1.758 0 C-N-CA 120.129 -0.628 . . . . 39.77 109.553 -175.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -64.38 -43.09 95.57 Favored 'General case' 0 C--O 1.249 1.064 0 N-CA-C 107.733 -1.21 . . . . 46.45 107.733 -173.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 47.9 tp -59.19 -52.36 66.03 Favored 'General case' 0 CA--C 1.562 1.439 0 CA-C-N 115.56 -0.746 . . . . 29.66 112.474 176.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' VAL . . . . . 0.4 ' O ' ' HB ' ' A' ' 68' ' ' THR 0.322 0.0 OUTLIER -52.09 -48.11 42.37 Favored 'Isoleucine or valine' 0 C--O 1.287 3.045 0 C-N-CA 114.922 -2.711 . . . . 31.63 114.693 172.148 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -60.02 -40.43 89.27 Favored 'General case' 0 CA--C 1.434 -3.504 0 CA-C-O 122.344 1.069 . . . . 26.73 109.031 -170.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -73.84 -29.49 62.16 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.963 1.363 . . . . 41.45 108.925 -173.723 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 65' ' ' VAL . 95.1 m -66.42 -50.59 62.89 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 122.423 1.106 . . . . 24.86 110.305 179.858 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -58.0 -44.91 87.49 Favored 'General case' 0 N--CA 1.527 3.422 0 CA-C-N 115.302 -0.863 . . . . 23.62 113.022 177.344 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.87 -45.6 89.79 Favored 'General case' 0 CA--C 1.483 -1.622 0 N-CA-C 106.035 -1.839 . . . . 25.24 106.035 177.239 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . -63.97 -39.77 94.88 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 117.589 -1.645 . . . . 29.37 107.582 179.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.99 -47.55 77.12 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 108.081 -1.081 . . . . 28.76 108.081 -176.453 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -58.13 -40.12 80.49 Favored 'General case' 0 N--CA 1.502 2.15 0 C-N-CA 118.451 -1.299 . . . . 31.2 110.689 -179.478 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.1 -17.26 64.32 Favored 'General case' 0 C--O 1.263 1.801 0 N-CA-C 115.922 1.823 . . . . 37.03 115.922 -177.297 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' SER . . . . . 0.524 ' O ' ' C ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -113.42 2.86 15.58 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 116.074 1.879 . . . . 44.74 116.074 -178.725 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 76' ' ' PHE . . . . . 0.524 ' C ' ' O ' ' A' ' 75' ' ' SER . 5.4 t80 -36.26 -37.32 0.12 Allowed 'General case' 0 C--O 1.207 -1.14 0 C-N-CA 119.561 -0.856 . . . . 54.05 110.309 177.588 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -53.09 -38.07 62.25 Favored 'General case' 0 CA--C 1.5 -0.95 0 C-N-CA 119.636 -0.826 . . . . 66.17 111.645 -175.85 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -85.27 -11.51 54.62 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 116.844 2.164 . . . . 67.27 116.844 -178.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -80.29 120.91 24.98 Favored 'General case' 0 CA--C 1.482 -1.654 0 N-CA-C 102.165 -3.272 . . . . 59.05 102.165 -176.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . 0.385 0.0 OUTLIER -77.86 -90.95 0.04 OUTLIER 'General case' 0 C--O 1.25 1.126 0 N-CA-C 120.982 3.697 . . . . 62.75 120.982 -171.032 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . . . -142.44 -55.04 0.43 Allowed 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 115.666 1.728 . . . . 63.64 115.666 -175.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' GLY . . . . . 0.612 ' O ' ' C ' ' A' ' 83' ' ' THR . . . -93.64 -43.8 3.84 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 114.589 0.596 . . . . 61.45 114.589 179.557 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 83' ' ' THR . . . . . 0.612 ' C ' ' O ' ' A' ' 82' ' ' GLY 0.327 0.3 OUTLIER -2.83 123.21 0.0 OUTLIER 'General case' 0 C--O 1.208 -1.098 0 CA-C-O 118.912 -0.566 . . . . 57.26 110.449 168.216 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -66.34 122.43 17.48 Favored 'General case' 0 CA--C 1.562 1.425 0 N-CA-C 106.893 -1.521 . . . . 47.78 106.893 175.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.4 tp -62.23 -53.26 57.72 Favored 'General case' 0 C--O 1.17 -3.119 0 N-CA-C 114.428 1.269 . . . . 39.7 114.428 -176.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -46.85 -44.22 19.29 Favored 'General case' 0 N--CA 1.427 -1.579 0 N-CA-C 113.581 0.956 . . . . 42.29 113.581 174.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.73 -28.9 62.92 Favored 'General case' 0 CA--C 1.486 -1.504 0 CA-C-N 118.891 0.769 . . . . 27.75 109.652 -176.461 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -70.09 -42.0 73.33 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-N 115.995 -0.548 . . . . 37.16 110.938 177.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.11 -49.7 68.96 Favored 'General case' 0 CA--C 1.578 2.035 0 O-C-N 121.892 -0.505 . . . . 24.92 111.104 173.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' TYR . . . . . 0.601 ' O ' HG23 ' A' ' 94' ' ' THR . 3.8 m-30 -44.45 -48.29 9.97 Favored 'General case' 0 N--CA 1.513 2.702 0 C-N-CA 124.035 0.934 . . . . 21.7 108.67 176.011 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.53 -38.22 83.73 Favored 'General case' 0 C--O 1.282 2.808 0 N-CA-C 114.921 1.452 . . . . 46.71 114.921 177.267 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.5 mt -74.3 -37.06 44.65 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.005 0 N-CA-C 107.912 -1.144 . . . . 24.18 107.912 178.9 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 38.9 tp -64.64 -38.66 91.75 Favored 'General case' 0 C--O 1.273 2.296 0 N-CA-C 113.439 0.903 . . . . 25.04 113.439 178.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' THR . . . . . 0.601 HG23 ' O ' ' A' ' 90' ' ' TYR . 11.8 p -72.21 -40.5 67.78 Favored 'General case' 0 C--O 1.198 -1.616 0 N-CA-C 107.559 -1.274 . . . . 27.53 107.559 -178.083 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -59.16 -37.65 77.84 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 112.765 0.654 . . . . 31.9 112.765 178.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.3 m -76.53 -36.34 57.76 Favored 'General case' 0 N--CA 1.403 -2.777 0 N-CA-C 113.748 1.018 . . . . 25.73 113.748 176.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -57.16 -46.24 82.94 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 107.763 -1.199 . . . . 33.39 107.763 177.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 94' ' ' THR . 63.2 mt -67.32 -56.15 14.63 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 CA-C-N 113.696 -1.593 . . . . 35.46 110.918 -172.59 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -79.07 -3.71 46.62 Favored 'General case' 0 C--O 1.209 -1.077 0 N-CA-C 119.895 3.294 . . . . 51.07 119.895 -176.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 101' ' ' TYR . 69.7 m -125.54 -74.4 0.61 Allowed 'General case' 0 CA--C 1.484 -1.561 0 N-CA-C 108.433 -0.951 . . . . 52.01 108.433 179.658 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 101' ' ' TYR . . . . . 0.863 ' CD1' ' N ' ' A' ' 102' ' ' ARG . 11.4 t80 -63.81 -166.67 0.02 OUTLIER 'General case' 0 N--CA 1.417 -2.116 0 N-CA-C 104.233 -2.506 . . . . 66.25 104.233 174.365 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ARG . . . . . 0.863 ' N ' ' CD1' ' A' ' 101' ' ' TYR . 1.5 mmm180 . . . . . 0 N--CA 1.474 0.739 0 N-CA-C 108.946 -0.761 . . . . 55.62 108.946 -174.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.523 4.495 1 N-CA-C 131.855 7.502 . . . . 58.8 131.855 . . . . . . . . . 2 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . 97.34 45.75 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.607 1 N-CA-C 94.046 -6.279 . . . . 59.56 94.046 -170.722 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 27' ' ' GLU . . . . . 0.971 ' O ' ' OG ' ' B' ' 28' ' ' SER . . . -97.88 -90.78 0.27 Allowed 'General case' 0 CA--C 1.444 -3.11 0 N-CA-C 121.581 3.919 . . . . 56.16 121.581 -166.826 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 28' ' ' SER . . . . . 1.08 ' OG ' ' OE1' ' B' ' 31' ' ' GLU . 0.0 OUTLIER 73.38 102.46 0.07 Allowed 'General case' 0 C--O 1.253 1.248 1 N-CA-C 97.615 -4.957 . . . . 50.23 97.615 -165.232 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 12.0 m -45.74 -32.29 2.42 Favored 'General case' 0 N--CA 1.415 -2.206 0 CA-C-N 114.701 -1.136 . . . . 41.38 108.313 178.589 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.8 -48.37 82.09 Favored 'General case' 0 C--O 1.177 -2.752 0 N-CA-C 112.82 0.674 . . . . 35.37 112.82 -179.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' GLU . . . . . 1.08 ' OE1' ' OG ' ' B' ' 28' ' ' SER . 8.4 mt-10 -67.49 -39.38 85.22 Favored 'General case' 0 N--CA 1.425 -1.69 0 N-CA-C 108.448 -0.945 . . . . 55.49 108.448 179.611 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -67.07 -44.5 79.92 Favored 'General case' 0 C--O 1.181 -2.504 0 N-CA-C 106.897 -1.52 . . . . 58.16 106.897 -175.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 22.6 t -65.45 -28.13 69.0 Favored 'General case' 0 N--CA 1.381 -3.92 0 C-N-CA 119.741 -0.784 . . . . 42.29 112.161 -176.366 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.09 -33.0 30.0 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 108.431 -0.952 . . . . 28.57 108.431 179.824 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 30.3 ttp-105 -63.86 -44.16 93.97 Favored 'General case' 0 CA--C 1.593 2.633 0 N-CA-C 106.725 -1.583 . . . . 62.73 106.725 178.113 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -58.61 -38.71 78.58 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 113.499 0.925 . . . . 30.13 113.499 174.768 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -64.96 -44.64 88.74 Favored 'General case' 0 CA--C 1.567 1.617 0 C-N-CA 120.209 -0.596 . . . . 31.97 111.818 176.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 88.0 mtm-85 -60.27 -57.34 13.23 Favored 'General case' 0 CA--C 1.577 1.998 0 N-CA-C 110.033 -0.358 . . . . 28.42 110.033 178.039 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -46.19 -46.07 17.22 Favored 'General case' 0 C--O 1.198 -1.654 0 CA-C-O 121.371 0.605 . . . . 35.64 111.089 176.815 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.41 -45.62 83.24 Favored 'General case' 0 C--O 1.298 3.624 0 CA-C-O 121.946 0.879 . . . . 26.48 112.484 -178.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 19.3 mt -65.76 -23.72 66.79 Favored 'General case' 0 CA--C 1.487 -1.463 0 CA-C-N 114.027 -1.442 . . . . 25.86 111.087 -176.375 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -63.79 -30.24 71.35 Favored 'General case' 0 CA--C 1.612 3.329 0 O-C-N 123.486 0.491 . . . . 47.71 110.681 176.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -94.57 1.5 55.65 Favored 'General case' 0 N--CA 1.483 1.186 0 O-C-N 121.707 -0.621 . . . . 36.91 111.098 -178.74 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' LEU . . . . . 0.729 ' HG ' ' O ' ' B' ' 44' ' ' LEU . 1.1 tp -52.06 -30.92 27.94 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 115.198 1.555 . . . . 33.85 115.198 -178.901 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -73.39 -45.95 51.71 Favored 'General case' 0 C--O 1.191 -1.983 0 C-N-CA 119.526 -0.87 . . . . 39.77 108.699 -176.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 32.7 tp60 -57.86 -44.06 86.37 Favored 'General case' 0 N--CA 1.42 -1.933 0 N-CA-C 106.813 -1.551 . . . . 33.8 106.813 178.016 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 8.7 mmt -70.41 -35.31 73.36 Favored 'General case' 0 CA--C 1.466 -2.262 0 CA-C-O 122.27 1.033 . . . . 28.75 113.718 -176.598 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -70.13 -39.23 75.55 Favored 'General case' 0 C--O 1.194 -1.839 0 CA-C-N 115.451 -0.795 . . . . 23.48 109.029 176.11 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 43.6 m -63.12 -52.91 60.69 Favored 'General case' 0 CA--C 1.609 3.25 0 N-CA-C 104.028 -2.582 . . . . 28.83 104.028 -177.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' ALA . . . . . 0.582 ' O ' ' HG3' ' B' ' 54' ' ' MET . . . -51.08 -41.14 59.76 Favored 'General case' 0 C--O 1.256 1.399 0 N-CA-C 107.745 -1.206 . . . . 25.38 107.745 178.72 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.22 -21.87 61.34 Favored 'General case' 0 C--O 1.285 2.973 0 C-N-CA 116.821 -1.952 . . . . 23.89 113.643 -177.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 13.3 mt -70.19 -38.86 75.43 Favored 'General case' 0 CA--C 1.571 1.771 0 C-N-CA 115.849 -2.341 . . . . 34.62 107.059 177.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . 0.312 68.7 mtp180 -64.62 -31.15 72.25 Favored 'General case' 0 C--O 1.199 -1.555 0 N-CA-C 117.507 2.41 . . . . 33.06 117.507 177.372 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 54' ' ' MET . . . . . 0.582 ' HG3' ' O ' ' B' ' 50' ' ' ALA . 5.0 mtp -84.31 -26.64 28.37 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.293 1.59 . . . . 33.56 115.293 -178.89 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 55' ' ' THR . . . . . 0.589 ' O ' ' C ' ' B' ' 56' ' ' ARG . 41.0 p -113.23 -15.03 12.79 Favored 'General case' 0 CA--C 1.44 -3.261 0 N-CA-C 108.672 -0.862 . . . . 34.01 108.672 -172.784 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 56' ' ' ARG . . . . . 0.589 ' C ' ' O ' ' B' ' 55' ' ' THR . 1.9 mpt_? 39.23 69.11 0.3 Allowed 'General case' 0 C--O 1.271 2.195 0 N-CA-C 104.837 -2.283 . . . . 68.84 104.837 -178.591 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 169.54 98.71 0.04 OUTLIER Pre-proline 0 N--CA 1.489 1.509 0 O-C-N 124.549 1.155 . . . . 53.26 113.149 178.04 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -40.55 -48.99 4.23 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.883 2.389 . . . . 38.49 113.752 -175.183 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.13 -51.67 68.36 Favored 'General case' 0 N--CA 1.427 -1.614 0 CA-C-N 116.325 -0.398 . . . . 35.24 111.715 179.594 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -67.2 -34.26 77.12 Favored 'General case' 0 C--O 1.196 -1.714 0 N-CA-C 108.884 -0.784 . . . . 46.95 108.884 -179.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.56 -39.59 88.59 Favored 'General case' 0 CA--C 1.578 2.028 0 C-N-CA 118.047 -1.461 . . . . 31.11 110.934 -179.389 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -63.28 -53.32 54.66 Favored 'General case' 0 C--O 1.197 -1.679 0 N-CA-C 107.669 -1.234 . . . . 40.15 107.669 -179.214 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -48.93 -49.52 39.8 Favored 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 108.957 -0.757 . . . . 48.29 108.957 178.498 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 15.0 tp -59.99 -47.91 83.86 Favored 'General case' 0 C--O 1.246 0.914 0 N-CA-C 116.13 1.9 . . . . 31.4 116.13 178.447 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . 0.267 0.0 OUTLIER -66.26 -34.06 67.68 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 C-N-CA 117.719 -1.593 . . . . 29.5 113.29 175.737 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -67.52 -37.97 83.57 Favored 'General case' 0 C--O 1.276 2.465 0 CA-C-O 121.847 0.832 . . . . 27.62 110.823 -179.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -72.19 -22.82 61.22 Favored 'General case' 0 CA--C 1.471 -2.082 0 N-CA-C 106.39 -1.708 . . . . 55.05 106.39 -176.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' THR . . . . . 0.418 HG23 HG22 ' B' ' 92' ' ' ILE . 75.2 m -79.6 -54.44 5.88 Favored 'General case' 0 CA--C 1.446 -3.042 0 N-CA-C 108.453 -0.943 . . . . 27.61 108.453 -173.281 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -52.47 -44.35 65.51 Favored 'General case' 0 N--CA 1.502 2.149 0 CA-C-O 123.537 1.637 . . . . 24.49 112.13 175.407 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.9 -44.04 94.49 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 107.343 -1.354 . . . . 28.77 107.343 -179.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -67.08 -41.92 85.54 Favored 'General case' 0 CA--C 1.48 -1.718 0 N-CA-C 107.691 -1.226 . . . . 48.2 107.691 178.103 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.61 -48.04 78.32 Favored 'General case' 0 CA--C 1.567 1.611 0 C-N-CA 116.617 -2.033 . . . . 29.43 108.309 179.058 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -58.52 -55.81 30.18 Favored 'General case' 0 N--CA 1.508 2.469 0 CA-C-N 119.684 1.129 . . . . 33.35 109.392 -176.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.21 -12.41 3.57 Favored 'General case' 0 C--O 1.196 -1.748 0 N-CA-C 117.974 2.583 . . . . 36.94 117.974 178.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' SER . . . . . 0.406 ' O ' ' C ' ' B' ' 76' ' ' PHE . 16.2 m -112.57 12.11 19.82 Favored 'General case' 0 CA--C 1.453 -2.764 0 CA-C-N 119.333 0.969 . . . . 38.86 109.205 -177.828 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 76' ' ' PHE . . . . . 0.406 ' C ' ' O ' ' B' ' 75' ' ' SER . 17.0 t80 -43.67 -38.35 3.05 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 117.923 -1.511 . . . . 40.02 110.384 177.293 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . 0.301 38.7 p-80 -54.51 -32.7 58.55 Favored 'General case' 0 C--O 1.205 -1.24 0 N-CA-C 117.902 2.556 . . . . 49.99 117.902 -178.126 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -88.36 -6.06 57.94 Favored 'General case' 0 CA--C 1.499 -0.991 0 N-CA-C 116.208 1.929 . . . . 61.24 116.208 177.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' PHE . . . . . 0.893 ' O ' ' NH1' ' B' ' 80' ' ' ARG . 81.5 t80 -76.87 146.52 37.63 Favored 'General case' 0 C--O 1.185 -2.325 0 N-CA-C 107.001 -1.481 . . . . 52.85 107.001 -176.709 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 80' ' ' ARG . . . . . 0.893 ' NH1' ' O ' ' B' ' 79' ' ' PHE . 0.0 OUTLIER -105.62 -117.76 0.23 Allowed 'General case' 0 N--CA 1.494 1.768 1 N-CA-C 122.421 4.23 . . . . 72.96 122.421 -172.271 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . . . -102.06 -74.25 0.63 Allowed 'General case' 0 CA--C 1.494 -1.204 0 C-N-CA 119.865 -0.734 . . . . 59.81 112.188 -178.223 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' GLY . . . . . 0.658 ' O ' ' C ' ' B' ' 83' ' ' THR . . . -104.01 -7.25 41.5 Favored Glycine 0 C--O 1.255 1.456 0 N-CA-C 111.612 -0.595 . . . . 57.9 111.612 -177.857 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 83' ' ' THR . . . . . 0.658 ' C ' ' O ' ' B' ' 82' ' ' GLY 0.392 0.2 OUTLIER -20.49 115.41 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 105.702 -1.962 . . . . 51.91 105.702 173.096 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 84' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' B' ' 87' ' ' ALA . 9.6 t-20 -60.13 128.35 36.38 Favored 'General case' 0 CA--C 1.5 -0.961 0 N-CA-C 105.706 -1.961 . . . . 44.61 105.706 178.361 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 11.2 tp -68.88 -44.39 73.34 Favored 'General case' 0 CA--C 1.496 -1.122 0 CA-C-O 121.917 0.865 . . . . 37.06 110.029 -174.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -56.58 -47.09 80.3 Favored 'General case' 0 C--O 1.277 2.501 0 CA-C-N 114.561 -1.2 . . . . 45.99 111.33 -179.305 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 87' ' ' ALA . . . . . 0.456 ' N ' ' OD1' ' B' ' 84' ' ' ASN . . . -64.32 -43.21 95.36 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 105.423 -2.066 . . . . 24.06 105.423 -174.571 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 88' ' ' TRP . . . . . . . . . . . . . 25.5 t90 -61.85 -41.6 98.03 Favored 'General case' 0 C--O 1.274 2.389 0 CA-C-N 115.194 -0.912 . . . . 38.16 112.382 179.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 37.9 mt -70.38 -40.3 74.06 Favored 'General case' 0 CA--C 1.56 1.339 0 C-N-CA 117.135 -1.826 . . . . 25.26 108.162 177.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 90' ' ' TYR . . . . . 0.667 ' O ' HG23 ' B' ' 94' ' ' THR . 10.1 m-85 -51.29 -52.34 45.93 Favored 'General case' 1 N--CA 1.56 5.05 0 O-C-N 120.439 -1.413 . . . . 20.44 112.453 176.085 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 13.3 ttt85 -49.74 -46.83 50.85 Favored 'General case' 0 C--O 1.299 3.689 0 N-CA-C 119.723 3.231 . . . . 37.9 119.723 171.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 92' ' ' ILE . . . . . 0.418 HG22 HG23 ' B' ' 68' ' ' THR . 75.8 mt -69.66 -43.73 79.98 Favored 'Isoleucine or valine' 0 C--O 1.29 3.235 0 CA-C-O 122.776 1.274 . . . . 24.82 107.824 177.104 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 44.6 tp -56.21 -44.96 80.02 Favored 'General case' 0 C--O 1.275 2.404 0 C-N-CA 118.514 -1.274 . . . . 23.44 107.563 174.735 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 94' ' ' THR . . . . . 0.667 HG23 ' O ' ' B' ' 90' ' ' TYR 0.267 5.5 p -65.4 -42.0 93.06 Favored 'General case' 0 N--CA 1.523 3.198 0 C-N-CA 115.551 -2.459 . . . . 29.65 110.567 -176.322 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 95' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -63.37 -36.03 82.37 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 122.94 1.353 . . . . 33.03 110.516 -176.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 45.4 m -75.12 -45.02 43.8 Favored 'General case' 0 CA--C 1.434 -3.518 0 C-N-CA 117.485 -1.686 . . . . 27.7 106.763 -172.913 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 97' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -51.67 -47.71 63.72 Favored 'General case' 0 N--CA 1.508 2.427 0 C-N-CA 117.897 -1.521 . . . . 40.03 113.552 174.539 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 98' ' ' ILE . . . . . . . . . . . . . 98.9 mt -64.36 -53.13 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 118.63 -1.228 . . . . 39.43 109.998 -177.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . 0.299 31.9 m120 -71.77 -39.46 69.94 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 119.259 3.059 . . . . 52.81 119.259 -174.258 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 1.9 m -94.03 -31.61 14.16 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 118.863 -1.135 . . . . 64.16 111.459 -172.246 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' TYR . . . . . 1.399 ' CD1' ' N ' ' B' ' 102' ' ' ARG . 0.4 OUTLIER -103.23 -144.54 0.36 Allowed 'General case' 0 N--CA 1.421 -1.891 0 N-CA-C 106.492 -1.67 . . . . 78.6 106.492 178.567 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 102' ' ' ARG . . . . . 1.399 ' N ' ' CD1' ' B' ' 101' ' ' TYR 0.512 2.4 mtp180 . . . . . 0 CA--C 1.502 -0.868 0 N-CA-C 116.821 2.156 . . . . 70.27 116.821 178.797 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' SER . . . . . 0.412 ' OG ' ' OE1' ' A' ' 31' ' ' GLU . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.664 0 N-CA-C 104.624 -2.361 . . . . 65.94 104.624 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.7 m -85.66 -28.92 24.41 Favored 'General case' 0 C--O 1.254 1.312 0 N-CA-C 104.993 -2.225 . . . . 66.39 104.993 -178.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.86 -34.18 57.83 Favored 'General case' 0 N--CA 1.436 -1.152 0 CA-C-N 114.706 -1.134 . . . . 57.36 111.343 -177.44 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.412 ' OE1' ' OG ' ' A' ' 28' ' ' SER . 1.9 mt-10 -68.62 -49.95 55.22 Favored 'General case' 0 C--O 1.247 0.935 0 N-CA-C 112.701 0.63 . . . . 66.59 112.701 -177.941 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . . . -55.23 -55.49 30.7 Favored 'General case' 0 N--CA 1.433 -1.283 0 N-CA-C 106.634 -1.617 . . . . 41.74 106.634 178.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.15 -30.84 60.65 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 115.335 1.606 . . . . 38.33 115.335 179.116 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.509 ' O ' ' HG3' ' A' ' 38' ' ' ARG . . . -81.54 -27.88 34.17 Favored 'General case' 0 CA--C 1.487 -1.448 0 C-N-CA 117.528 -1.669 . . . . 30.28 107.044 -176.287 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.0 ttp-105 -72.2 -43.75 64.01 Favored 'General case' 0 CA--C 1.571 1.773 0 CA-C-N 114.584 -1.189 . . . . 53.9 108.538 178.315 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -55.96 -39.36 71.65 Favored 'General case' 0 C--O 1.285 2.949 0 O-C-N 121.368 -0.832 . . . . 39.69 112.307 174.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -64.45 -47.18 80.02 Favored 'General case' 0 CA--C 1.492 -1.28 0 N-CA-C 109.43 -0.582 . . . . 33.62 109.43 -176.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 34' ' ' ALA . 43.7 mtm-85 -69.74 -36.88 76.21 Favored 'General case' 0 CA--C 1.489 -1.378 0 N-CA-C 108.797 -0.816 . . . . 30.57 108.797 -176.361 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -62.73 -44.71 95.5 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 117.678 -1.609 . . . . 34.35 107.214 178.335 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.83 -39.66 92.58 Favored 'General case' 0 CA--C 1.474 -1.955 0 C-N-CA 120.542 -0.463 . . . . 23.14 109.812 -177.082 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 38.2 mt -74.82 -24.04 58.56 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-O 124.998 2.332 . . . . 29.31 112.378 -172.63 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -56.76 -38.55 72.62 Favored 'General case' 0 N--CA 1.409 -2.495 0 N-CA-C 104.724 -2.324 . . . . 37.83 104.724 175.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -82.89 -6.83 59.63 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 116.662 2.097 . . . . 31.65 116.662 -178.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.4 tp -43.22 -42.89 4.47 Favored 'General case' 0 C--O 1.181 -2.514 0 CA-C-O 122.451 1.12 . . . . 30.14 113.34 -175.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.462 ' O ' ' HB2' ' A' ' 49' ' ' SER 0.251 45.0 t0 -72.97 -35.27 66.88 Favored 'General case' 0 N--CA 1.404 -2.775 0 C-N-CA 116.906 -1.918 . . . . 41.24 114.033 -175.932 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -69.23 -30.03 68.1 Favored 'General case' 1 N--CA 1.338 -6.037 0 N-CA-C 102.72 -3.067 . . . . 24.94 102.72 -179.354 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.0 mtt -77.07 -24.87 51.89 Favored 'General case' 0 CA--C 1.505 -0.775 0 N-CA-C 117.176 2.288 . . . . 32.38 117.176 -178.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -87.32 -30.08 21.1 Favored 'General case' 0 C--O 1.194 -1.822 0 N-CA-C 106.421 -1.696 . . . . 25.9 106.421 -178.296 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' SER . . . . . 0.462 ' HB2' ' O ' ' A' ' 45' ' ' ASP 0.282 0.6 OUTLIER -67.7 -38.12 83.2 Favored 'General case' 0 N--CA 1.408 -2.544 0 CA-C-N 115.231 -0.895 . . . . 32.94 110.92 177.931 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.99 -38.57 72.69 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 103.164 -2.902 . . . . 30.08 103.164 178.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . 0.316 . . -66.72 -27.45 67.64 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 117.991 -1.483 . . . . 32.93 113.349 -179.268 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 36.1 mt -64.71 -30.85 71.88 Favored 'General case' 0 N--CA 1.434 -1.256 0 C-N-CA 116.514 -2.074 . . . . 37.44 110.107 174.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 -84.67 -20.77 30.73 Favored 'General case' 0 CA--C 1.476 -1.886 0 N-CA-C 113.264 0.838 . . . . 46.54 113.264 -169.122 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 42.2 mtp -91.71 -20.87 21.11 Favored 'General case' 0 CA--C 1.558 1.268 0 N-CA-C 116.946 2.202 . . . . 35.2 116.946 176.308 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' THR . . . . . 0.58 ' O ' ' C ' ' A' ' 56' ' ' ARG . 40.0 p -115.19 -10.5 12.13 Favored 'General case' 0 CA--C 1.499 -1.002 0 CA-C-O 121.464 0.65 . . . . 40.52 109.866 -176.17 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.58 ' C ' ' O ' ' A' ' 55' ' ' THR . 3.0 mpt_? 38.87 58.85 1.7 Allowed 'General case' 0 N--CA 1.441 -0.906 0 C-N-CA 118.632 -1.227 . . . . 64.44 109.22 -178.904 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.475 ' HB2' ' O ' ' A' ' 56' ' ' ARG . 27.6 t-20 176.74 102.87 0.11 Allowed Pre-proline 0 CA--C 1.582 2.182 0 CA-C-O 122.271 1.034 . . . . 49.02 113.777 177.713 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -35.93 -59.99 0.37 Allowed 'Trans proline' 0 N--CA 1.49 1.28 0 C-N-CA 122.458 2.106 . . . . 41.87 112.593 -179.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.7 -49.43 47.78 Favored 'General case' 0 N--CA 1.436 -1.152 0 O-C-N 121.046 -1.034 . . . . 36.02 111.928 177.123 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -71.86 -37.88 70.17 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 118.196 -1.401 . . . . 49.12 108.944 179.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.93 -43.05 73.01 Favored 'General case' 0 CA--C 1.562 1.426 0 C-N-CA 116.708 -1.997 . . . . 23.04 109.585 179.032 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -67.52 -44.2 78.96 Favored 'General case' 0 CA--C 1.479 -1.758 0 C-N-CA 120.129 -0.628 . . . . 39.77 109.553 -175.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -64.38 -43.09 95.57 Favored 'General case' 0 C--O 1.249 1.064 0 N-CA-C 107.733 -1.21 . . . . 46.45 107.733 -173.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 47.9 tp -59.19 -52.36 66.03 Favored 'General case' 0 CA--C 1.562 1.439 0 CA-C-N 115.56 -0.746 . . . . 29.66 112.474 176.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.4 ' O ' ' HB ' ' A' ' 68' ' ' THR 0.322 0.0 OUTLIER -52.09 -48.11 42.37 Favored 'Isoleucine or valine' 0 C--O 1.287 3.045 0 C-N-CA 114.922 -2.711 . . . . 31.63 114.693 172.148 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -60.02 -40.43 89.27 Favored 'General case' 0 CA--C 1.434 -3.504 0 CA-C-O 122.344 1.069 . . . . 26.73 109.031 -170.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -73.84 -29.49 62.16 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.963 1.363 . . . . 41.45 108.925 -173.723 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 65' ' ' VAL . 95.1 m -66.42 -50.59 62.89 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 122.423 1.106 . . . . 24.86 110.305 179.858 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -58.0 -44.91 87.49 Favored 'General case' 0 N--CA 1.527 3.422 0 CA-C-N 115.302 -0.863 . . . . 23.62 113.022 177.344 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.87 -45.6 89.79 Favored 'General case' 0 CA--C 1.483 -1.622 0 N-CA-C 106.035 -1.839 . . . . 25.24 106.035 177.239 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . -63.97 -39.77 94.88 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 117.589 -1.645 . . . . 29.37 107.582 179.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.99 -47.55 77.12 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 108.081 -1.081 . . . . 28.76 108.081 -176.453 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -58.13 -40.12 80.49 Favored 'General case' 0 N--CA 1.502 2.15 0 C-N-CA 118.451 -1.299 . . . . 31.2 110.689 -179.478 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.1 -17.26 64.32 Favored 'General case' 0 C--O 1.263 1.801 0 N-CA-C 115.922 1.823 . . . . 37.03 115.922 -177.297 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' SER . . . . . 0.524 ' O ' ' C ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -113.42 2.86 15.58 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 116.074 1.879 . . . . 44.74 116.074 -178.725 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.524 ' C ' ' O ' ' A' ' 75' ' ' SER . 5.4 t80 -36.26 -37.32 0.12 Allowed 'General case' 0 C--O 1.207 -1.14 0 C-N-CA 119.561 -0.856 . . . . 54.05 110.309 177.588 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -53.09 -38.07 62.25 Favored 'General case' 0 CA--C 1.5 -0.95 0 C-N-CA 119.636 -0.826 . . . . 66.17 111.645 -175.85 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -85.27 -11.51 54.62 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 116.844 2.164 . . . . 67.27 116.844 -178.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -80.29 120.91 24.98 Favored 'General case' 0 CA--C 1.482 -1.654 0 N-CA-C 102.165 -3.272 . . . . 59.05 102.165 -176.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . 0.385 0.0 OUTLIER -77.86 -90.95 0.04 OUTLIER 'General case' 0 C--O 1.25 1.126 0 N-CA-C 120.982 3.697 . . . . 62.75 120.982 -171.032 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . . . -142.44 -55.04 0.43 Allowed 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 115.666 1.728 . . . . 63.64 115.666 -175.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.612 ' O ' ' C ' ' A' ' 83' ' ' THR . . . -93.64 -43.8 3.84 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 114.589 0.596 . . . . 61.45 114.589 179.557 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' THR . . . . . 0.612 ' C ' ' O ' ' A' ' 82' ' ' GLY 0.327 0.3 OUTLIER -2.83 123.21 0.0 OUTLIER 'General case' 0 C--O 1.208 -1.098 0 CA-C-O 118.912 -0.566 . . . . 57.26 110.449 168.216 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -66.34 122.43 17.48 Favored 'General case' 0 CA--C 1.562 1.425 0 N-CA-C 106.893 -1.521 . . . . 47.78 106.893 175.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.4 tp -62.23 -53.26 57.72 Favored 'General case' 0 C--O 1.17 -3.119 0 N-CA-C 114.428 1.269 . . . . 39.7 114.428 -176.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -46.85 -44.22 19.29 Favored 'General case' 0 N--CA 1.427 -1.579 0 N-CA-C 113.581 0.956 . . . . 42.29 113.581 174.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.73 -28.9 62.92 Favored 'General case' 0 CA--C 1.486 -1.504 0 CA-C-N 118.891 0.769 . . . . 27.75 109.652 -176.461 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -70.09 -42.0 73.33 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-N 115.995 -0.548 . . . . 37.16 110.938 177.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.11 -49.7 68.96 Favored 'General case' 0 CA--C 1.578 2.035 0 O-C-N 121.892 -0.505 . . . . 24.92 111.104 173.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.601 ' O ' HG23 ' A' ' 94' ' ' THR . 3.8 m-30 -44.45 -48.29 9.97 Favored 'General case' 0 N--CA 1.513 2.702 0 C-N-CA 124.035 0.934 . . . . 21.7 108.67 176.011 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.53 -38.22 83.73 Favored 'General case' 0 C--O 1.282 2.808 0 N-CA-C 114.921 1.452 . . . . 46.71 114.921 177.267 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.5 mt -74.3 -37.06 44.65 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.005 0 N-CA-C 107.912 -1.144 . . . . 24.18 107.912 178.9 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 38.9 tp -64.64 -38.66 91.75 Favored 'General case' 0 C--O 1.273 2.296 0 N-CA-C 113.439 0.903 . . . . 25.04 113.439 178.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' THR . . . . . 0.601 HG23 ' O ' ' A' ' 90' ' ' TYR . 11.8 p -72.21 -40.5 67.78 Favored 'General case' 0 C--O 1.198 -1.616 0 N-CA-C 107.559 -1.274 . . . . 27.53 107.559 -178.083 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -59.16 -37.65 77.84 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 112.765 0.654 . . . . 31.9 112.765 178.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.3 m -76.53 -36.34 57.76 Favored 'General case' 0 N--CA 1.403 -2.777 0 N-CA-C 113.748 1.018 . . . . 25.73 113.748 176.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -57.16 -46.24 82.94 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 107.763 -1.199 . . . . 33.39 107.763 177.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 94' ' ' THR . 63.2 mt -67.32 -56.15 14.63 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 CA-C-N 113.696 -1.593 . . . . 35.46 110.918 -172.59 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -79.07 -3.71 46.62 Favored 'General case' 0 C--O 1.209 -1.077 0 N-CA-C 119.895 3.294 . . . . 51.07 119.895 -176.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 101' ' ' TYR . 69.7 m -125.54 -74.4 0.61 Allowed 'General case' 0 CA--C 1.484 -1.561 0 N-CA-C 108.433 -0.951 . . . . 52.01 108.433 179.658 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.863 ' CD1' ' N ' ' A' ' 102' ' ' ARG . 11.4 t80 -63.81 -166.67 0.02 OUTLIER 'General case' 0 N--CA 1.417 -2.116 0 N-CA-C 104.233 -2.506 . . . . 66.25 104.233 174.365 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.863 ' N ' ' CD1' ' A' ' 101' ' ' TYR . 1.5 mmm180 . . . . . 0 N--CA 1.474 0.739 0 N-CA-C 108.946 -0.761 . . . . 55.62 108.946 -174.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.523 4.495 1 N-CA-C 131.855 7.502 . . . . 58.8 131.855 . . . . . . . . . 2 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . 97.34 45.75 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.607 1 N-CA-C 94.046 -6.279 . . . . 59.56 94.046 -170.722 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.971 ' O ' ' OG ' ' B' ' 28' ' ' SER . . . -97.88 -90.78 0.27 Allowed 'General case' 0 CA--C 1.444 -3.11 0 N-CA-C 121.581 3.919 . . . . 56.16 121.581 -166.826 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' SER . . . . . 1.08 ' OG ' ' OE1' ' B' ' 31' ' ' GLU . 0.0 OUTLIER 73.38 102.46 0.07 Allowed 'General case' 0 C--O 1.253 1.248 1 N-CA-C 97.615 -4.957 . . . . 50.23 97.615 -165.232 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 12.0 m -45.74 -32.29 2.42 Favored 'General case' 0 N--CA 1.415 -2.206 0 CA-C-N 114.701 -1.136 . . . . 41.38 108.313 178.589 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.8 -48.37 82.09 Favored 'General case' 0 C--O 1.177 -2.752 0 N-CA-C 112.82 0.674 . . . . 35.37 112.82 -179.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' GLU . . . . . 1.08 ' OE1' ' OG ' ' B' ' 28' ' ' SER . 8.4 mt-10 -67.49 -39.38 85.22 Favored 'General case' 0 N--CA 1.425 -1.69 0 N-CA-C 108.448 -0.945 . . . . 55.49 108.448 179.611 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -67.07 -44.5 79.92 Favored 'General case' 0 C--O 1.181 -2.504 0 N-CA-C 106.897 -1.52 . . . . 58.16 106.897 -175.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 22.6 t -65.45 -28.13 69.0 Favored 'General case' 0 N--CA 1.381 -3.92 0 C-N-CA 119.741 -0.784 . . . . 42.29 112.161 -176.366 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.09 -33.0 30.0 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 108.431 -0.952 . . . . 28.57 108.431 179.824 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 30.3 ttp-105 -63.86 -44.16 93.97 Favored 'General case' 0 CA--C 1.593 2.633 0 N-CA-C 106.725 -1.583 . . . . 62.73 106.725 178.113 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -58.61 -38.71 78.58 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 113.499 0.925 . . . . 30.13 113.499 174.768 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -64.96 -44.64 88.74 Favored 'General case' 0 CA--C 1.567 1.617 0 C-N-CA 120.209 -0.596 . . . . 31.97 111.818 176.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 88.0 mtm-85 -60.27 -57.34 13.23 Favored 'General case' 0 CA--C 1.577 1.998 0 N-CA-C 110.033 -0.358 . . . . 28.42 110.033 178.039 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -46.19 -46.07 17.22 Favored 'General case' 0 C--O 1.198 -1.654 0 CA-C-O 121.371 0.605 . . . . 35.64 111.089 176.815 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.41 -45.62 83.24 Favored 'General case' 0 C--O 1.298 3.624 0 CA-C-O 121.946 0.879 . . . . 26.48 112.484 -178.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 19.3 mt -65.76 -23.72 66.79 Favored 'General case' 0 CA--C 1.487 -1.463 0 CA-C-N 114.027 -1.442 . . . . 25.86 111.087 -176.375 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -63.79 -30.24 71.35 Favored 'General case' 0 CA--C 1.612 3.329 0 O-C-N 123.486 0.491 . . . . 47.71 110.681 176.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -94.57 1.5 55.65 Favored 'General case' 0 N--CA 1.483 1.186 0 O-C-N 121.707 -0.621 . . . . 36.91 111.098 -178.74 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.729 ' HG ' ' O ' ' B' ' 44' ' ' LEU . 1.1 tp -52.06 -30.92 27.94 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 115.198 1.555 . . . . 33.85 115.198 -178.901 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -73.39 -45.95 51.71 Favored 'General case' 0 C--O 1.191 -1.983 0 C-N-CA 119.526 -0.87 . . . . 39.77 108.699 -176.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 32.7 tp60 -57.86 -44.06 86.37 Favored 'General case' 0 N--CA 1.42 -1.933 0 N-CA-C 106.813 -1.551 . . . . 33.8 106.813 178.016 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 8.7 mmt -70.41 -35.31 73.36 Favored 'General case' 0 CA--C 1.466 -2.262 0 CA-C-O 122.27 1.033 . . . . 28.75 113.718 -176.598 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -70.13 -39.23 75.55 Favored 'General case' 0 C--O 1.194 -1.839 0 CA-C-N 115.451 -0.795 . . . . 23.48 109.029 176.11 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 43.6 m -63.12 -52.91 60.69 Favored 'General case' 0 CA--C 1.609 3.25 0 N-CA-C 104.028 -2.582 . . . . 28.83 104.028 -177.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.582 ' O ' ' HG3' ' B' ' 54' ' ' MET . . . -51.08 -41.14 59.76 Favored 'General case' 0 C--O 1.256 1.399 0 N-CA-C 107.745 -1.206 . . . . 25.38 107.745 178.72 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.22 -21.87 61.34 Favored 'General case' 0 C--O 1.285 2.973 0 C-N-CA 116.821 -1.952 . . . . 23.89 113.643 -177.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 13.3 mt -70.19 -38.86 75.43 Favored 'General case' 0 CA--C 1.571 1.771 0 C-N-CA 115.849 -2.341 . . . . 34.62 107.059 177.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . 0.312 68.7 mtp180 -64.62 -31.15 72.25 Favored 'General case' 0 C--O 1.199 -1.555 0 N-CA-C 117.507 2.41 . . . . 33.06 117.507 177.372 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' MET . . . . . 0.582 ' HG3' ' O ' ' B' ' 50' ' ' ALA . 5.0 mtp -84.31 -26.64 28.37 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.293 1.59 . . . . 33.56 115.293 -178.89 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' THR . . . . . 0.589 ' O ' ' C ' ' B' ' 56' ' ' ARG . 41.0 p -113.23 -15.03 12.79 Favored 'General case' 0 CA--C 1.44 -3.261 0 N-CA-C 108.672 -0.862 . . . . 34.01 108.672 -172.784 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' ARG . . . . . 0.589 ' C ' ' O ' ' B' ' 55' ' ' THR . 1.9 mpt_? 39.23 69.11 0.3 Allowed 'General case' 0 C--O 1.271 2.195 0 N-CA-C 104.837 -2.283 . . . . 68.84 104.837 -178.591 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 169.54 98.71 0.04 OUTLIER Pre-proline 0 N--CA 1.489 1.509 0 O-C-N 124.549 1.155 . . . . 53.26 113.149 178.04 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -40.55 -48.99 4.23 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.883 2.389 . . . . 38.49 113.752 -175.183 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.13 -51.67 68.36 Favored 'General case' 0 N--CA 1.427 -1.614 0 CA-C-N 116.325 -0.398 . . . . 35.24 111.715 179.594 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -67.2 -34.26 77.12 Favored 'General case' 0 C--O 1.196 -1.714 0 N-CA-C 108.884 -0.784 . . . . 46.95 108.884 -179.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.56 -39.59 88.59 Favored 'General case' 0 CA--C 1.578 2.028 0 C-N-CA 118.047 -1.461 . . . . 31.11 110.934 -179.389 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -63.28 -53.32 54.66 Favored 'General case' 0 C--O 1.197 -1.679 0 N-CA-C 107.669 -1.234 . . . . 40.15 107.669 -179.214 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -48.93 -49.52 39.8 Favored 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 108.957 -0.757 . . . . 48.29 108.957 178.498 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 15.0 tp -59.99 -47.91 83.86 Favored 'General case' 0 C--O 1.246 0.914 0 N-CA-C 116.13 1.9 . . . . 31.4 116.13 178.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . 0.267 0.0 OUTLIER -66.26 -34.06 67.68 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 C-N-CA 117.719 -1.593 . . . . 29.5 113.29 175.737 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -67.52 -37.97 83.57 Favored 'General case' 0 C--O 1.276 2.465 0 CA-C-O 121.847 0.832 . . . . 27.62 110.823 -179.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -72.19 -22.82 61.22 Favored 'General case' 0 CA--C 1.471 -2.082 0 N-CA-C 106.39 -1.708 . . . . 55.05 106.39 -176.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' THR . . . . . 0.418 HG23 HG22 ' B' ' 92' ' ' ILE . 75.2 m -79.6 -54.44 5.88 Favored 'General case' 0 CA--C 1.446 -3.042 0 N-CA-C 108.453 -0.943 . . . . 27.61 108.453 -173.281 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -52.47 -44.35 65.51 Favored 'General case' 0 N--CA 1.502 2.149 0 CA-C-O 123.537 1.637 . . . . 24.49 112.13 175.407 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.9 -44.04 94.49 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 107.343 -1.354 . . . . 28.77 107.343 -179.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -67.08 -41.92 85.54 Favored 'General case' 0 CA--C 1.48 -1.718 0 N-CA-C 107.691 -1.226 . . . . 48.2 107.691 178.103 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.61 -48.04 78.32 Favored 'General case' 0 CA--C 1.567 1.611 0 C-N-CA 116.617 -2.033 . . . . 29.43 108.309 179.058 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -58.52 -55.81 30.18 Favored 'General case' 0 N--CA 1.508 2.469 0 CA-C-N 119.684 1.129 . . . . 33.35 109.392 -176.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.21 -12.41 3.57 Favored 'General case' 0 C--O 1.196 -1.748 0 N-CA-C 117.974 2.583 . . . . 36.94 117.974 178.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' SER . . . . . 0.406 ' O ' ' C ' ' B' ' 76' ' ' PHE . 16.2 m -112.57 12.11 19.82 Favored 'General case' 0 CA--C 1.453 -2.764 0 CA-C-N 119.333 0.969 . . . . 38.86 109.205 -177.828 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.406 ' C ' ' O ' ' B' ' 75' ' ' SER . 17.0 t80 -43.67 -38.35 3.05 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 117.923 -1.511 . . . . 40.02 110.384 177.293 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . 0.301 38.7 p-80 -54.51 -32.7 58.55 Favored 'General case' 0 C--O 1.205 -1.24 0 N-CA-C 117.902 2.556 . . . . 49.99 117.902 -178.126 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -88.36 -6.06 57.94 Favored 'General case' 0 CA--C 1.499 -0.991 0 N-CA-C 116.208 1.929 . . . . 61.24 116.208 177.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' PHE . . . . . 0.893 ' O ' ' NH1' ' B' ' 80' ' ' ARG . 81.5 t80 -76.87 146.52 37.63 Favored 'General case' 0 C--O 1.185 -2.325 0 N-CA-C 107.001 -1.481 . . . . 52.85 107.001 -176.709 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' ARG . . . . . 0.893 ' NH1' ' O ' ' B' ' 79' ' ' PHE . 0.0 OUTLIER -105.62 -117.76 0.23 Allowed 'General case' 0 N--CA 1.494 1.768 1 N-CA-C 122.421 4.23 . . . . 72.96 122.421 -172.271 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . . . -102.06 -74.25 0.63 Allowed 'General case' 0 CA--C 1.494 -1.204 0 C-N-CA 119.865 -0.734 . . . . 59.81 112.188 -178.223 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' GLY . . . . . 0.658 ' O ' ' C ' ' B' ' 83' ' ' THR . . . -104.01 -7.25 41.5 Favored Glycine 0 C--O 1.255 1.456 0 N-CA-C 111.612 -0.595 . . . . 57.9 111.612 -177.857 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' THR . . . . . 0.658 ' C ' ' O ' ' B' ' 82' ' ' GLY 0.392 0.2 OUTLIER -20.49 115.41 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 105.702 -1.962 . . . . 51.91 105.702 173.096 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' B' ' 87' ' ' ALA . 9.6 t-20 -60.13 128.35 36.38 Favored 'General case' 0 CA--C 1.5 -0.961 0 N-CA-C 105.706 -1.961 . . . . 44.61 105.706 178.361 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 11.2 tp -68.88 -44.39 73.34 Favored 'General case' 0 CA--C 1.496 -1.122 0 CA-C-O 121.917 0.865 . . . . 37.06 110.029 -174.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -56.58 -47.09 80.3 Favored 'General case' 0 C--O 1.277 2.501 0 CA-C-N 114.561 -1.2 . . . . 45.99 111.33 -179.305 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' ALA . . . . . 0.456 ' N ' ' OD1' ' B' ' 84' ' ' ASN . . . -64.32 -43.21 95.36 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 105.423 -2.066 . . . . 24.06 105.423 -174.571 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' TRP . . . . . . . . . . . . . 25.5 t90 -61.85 -41.6 98.03 Favored 'General case' 0 C--O 1.274 2.389 0 CA-C-N 115.194 -0.912 . . . . 38.16 112.382 179.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 37.9 mt -70.38 -40.3 74.06 Favored 'General case' 0 CA--C 1.56 1.339 0 C-N-CA 117.135 -1.826 . . . . 25.26 108.162 177.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' TYR . . . . . 0.667 ' O ' HG23 ' B' ' 94' ' ' THR . 10.1 m-85 -51.29 -52.34 45.93 Favored 'General case' 1 N--CA 1.56 5.05 0 O-C-N 120.439 -1.413 . . . . 20.44 112.453 176.085 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 13.3 ttt85 -49.74 -46.83 50.85 Favored 'General case' 0 C--O 1.299 3.689 0 N-CA-C 119.723 3.231 . . . . 37.9 119.723 171.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' ILE . . . . . 0.418 HG22 HG23 ' B' ' 68' ' ' THR . 75.8 mt -69.66 -43.73 79.98 Favored 'Isoleucine or valine' 0 C--O 1.29 3.235 0 CA-C-O 122.776 1.274 . . . . 24.82 107.824 177.104 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 44.6 tp -56.21 -44.96 80.02 Favored 'General case' 0 C--O 1.275 2.404 0 C-N-CA 118.514 -1.274 . . . . 23.44 107.563 174.735 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' THR . . . . . 0.667 HG23 ' O ' ' B' ' 90' ' ' TYR 0.267 5.5 p -65.4 -42.0 93.06 Favored 'General case' 0 N--CA 1.523 3.198 0 C-N-CA 115.551 -2.459 . . . . 29.65 110.567 -176.322 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -63.37 -36.03 82.37 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 122.94 1.353 . . . . 33.03 110.516 -176.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 45.4 m -75.12 -45.02 43.8 Favored 'General case' 0 CA--C 1.434 -3.518 0 C-N-CA 117.485 -1.686 . . . . 27.7 106.763 -172.913 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -51.67 -47.71 63.72 Favored 'General case' 0 N--CA 1.508 2.427 0 C-N-CA 117.897 -1.521 . . . . 40.03 113.552 174.539 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' ILE . . . . . . . . . . . . . 98.9 mt -64.36 -53.13 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 118.63 -1.228 . . . . 39.43 109.998 -177.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . 0.299 69.3 m-80 -71.77 -39.46 69.94 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 119.259 3.059 . . . . 52.81 119.259 -174.258 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 1.9 m -94.03 -31.61 14.16 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 118.863 -1.135 . . . . 64.16 111.459 -172.246 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' TYR . . . . . 1.399 ' CD1' ' N ' ' B' ' 102' ' ' ARG . 0.4 OUTLIER -103.23 -144.54 0.36 Allowed 'General case' 0 N--CA 1.421 -1.891 0 N-CA-C 106.492 -1.67 . . . . 78.6 106.492 178.567 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' ARG . . . . . 1.399 ' N ' ' CD1' ' B' ' 101' ' ' TYR 0.512 2.4 mtp180 . . . . . 0 CA--C 1.502 -0.868 0 N-CA-C 116.821 2.156 . . . . 70.27 116.821 178.797 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_