data_3pth_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 3pth _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 ' 544' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 CA--C 1.562 1.894 0 CA-C-O 120.297 0.04 . . . . 41.439999999999998 112.076 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 1.4 mt -96.1 119.84 35.31 Favored 'General case' 0 C--O 1.248 0.988 0 N-CA-C 116.044 1.868 . . . . 36.659999999999997 116.044 -159.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 546' ' ' THR . . . . . . . . . . . . . 44.8 p -98.68 161.58 13.58 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 119.562 -0.855 . . . . 29.289999999999999 110.562 170.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -59.69 -40.83 89.2 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 124.386 1.054 . . . . 22.640000000000001 109.827 178.081 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 34.2 m -60.74 -45.43 94.33 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 114.769 1.396 . . . . 25.199999999999999 114.769 177.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 549' ' ' MET . . . . . . . . . . . . . 3.0 ttm -65.82 -44.82 84.48 Favored 'General case' 0 C--O 1.21 -1.004 0 C-N-CA 119.935 -0.706 . . . . 42.740000000000002 110.878 177.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -45.18 94.9 Favored 'General case' 0 C--O 1.244 0.812 0 N-CA-C 112.558 0.577 . . . . 21.550000000000001 112.558 179.441 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 551' ' ' ALA . . . . . . . . . . . . . . . -67.37 -26.61 66.55 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 120.615 -0.434 . . . . 20.789999999999999 111.155 -174.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 96.8 p -79.26 -22.98 43.98 Favored 'General case' 0 C--O 1.207 -1.149 0 C-N-CA 118.753 -1.179 . . . . 28.09 113.22 179.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -65.9 151.01 95.87 Favored Pre-proline 0 CA--C 1.513 -0.448 0 C-N-CA 122.79 0.436 . . . . 29.07 110.133 173.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -60.13 135.51 62.81 Favored 'Trans proline' 0 C--O 1.236 0.395 0 O-C-N 122.69 0.837 . . . . 35.57 113.171 179.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 555' ' ' PRO . . . . . 0.579 ' O ' ' O ' ' A' ' 79' ' ' HOH . 1.6 Cg_exo -48.95 -33.7 26.76 Favored 'Trans proline' 0 CA--C 1.505 -0.97 0 O-C-N 122.676 0.83 . . . . 39.409999999999997 110.791 -174.014 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 556' ' ' GLN . . . . . . . . . . . . . 8.4 pm0 -65.81 -15.5 62.94 Favored 'General case' 0 CA--C 1.555 1.14 0 N-CA-C 117.434 2.383 . . . . 51.329999999999998 117.434 179.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -112.15 -4.81 14.32 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 119.596 1.089 . . . . 47.520000000000003 112.955 -179.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -64.5 -43.41 94.2 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 116.241 -0.436 . . . . 27.34 110.651 -175.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -68.36 -34.24 75.71 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 119.993 -0.683 . . . . 19.710000000000001 110.456 -175.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 50.2 tp60 -63.73 -44.09 94.6 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.889 0.876 . . . . 30.870000000000001 111.501 175.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 561' ' ' MET . . . . . . . . . . . . . 90.1 mtp -61.73 -40.71 96.05 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 121.949 -0.469 . . . . 30.690000000000001 111.641 177.338 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 54.6 mt -68.97 -44.51 72.78 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 116.012 -0.54 . . . . 15.880000000000001 109.552 179.18 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . -56.86 -43.38 92.44 Favored Glycine 0 N--CA 1.469 0.842 0 N-CA-C 115.141 0.816 . . . . 14.68 115.141 178.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -65.02 -29.3 70.2 Favored 'General case' 0 C--O 1.244 0.801 0 C-N-CA 123.348 0.659 . . . . 35.729999999999997 109.849 -176.139 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 565' ' ' ARG . . . . . 0.593 ' NE ' ' O ' ' A' ' 73' ' ' HOH . 68.9 mtt85 -86.05 -40.56 15.63 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 123.83 0.706 . . . . 33.210000000000001 112.852 178.47 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 26.1 mt -69.94 -44.72 68.99 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 123.698 0.624 . . . . 19.739999999999998 111.895 -178.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -54.14 -48.72 93.39 Favored Pre-proline 0 CA--C 1.557 1.238 0 N-CA-C 113.297 0.851 . . . . 16.23 113.297 -170.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -66.01 -33.54 41.23 Favored 'Trans proline' 0 C--O 1.256 1.389 0 C-N-CA 116.634 -1.778 . . . . 13.800000000000001 112.868 -178.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 569' ' ' LEU . . . . . . . . . . . . . 79.4 mt -61.32 -40.81 95.59 Favored 'General case' 0 C--O 1.251 1.174 0 CA-C-O 121.604 0.716 . . . . 16.239999999999998 112.768 175.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 86.9 mt -74.27 -36.97 44.65 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.591 0 CA-C-N 115.099 -0.955 . . . . 12.31 111.15 -179.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -59.12 -32.07 69.51 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.264 -0.426 . . . . 26.93 111.28 178.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -61.8 -27.23 68.61 Favored 'General case' 0 C--O 1.247 0.926 0 N-CA-C 114.128 1.159 . . . . 14.08 114.128 174.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 573' ' ' MET . . . . . . . . . . . . . 94.1 mtp -91.44 -42.18 10.44 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 113.317 0.858 . . . . 20.469999999999999 113.317 175.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -133.24 88.22 36.38 Favored Pre-proline 0 CA--C 1.512 -0.499 0 C-N-CA 123.893 0.877 . . . . 14.130000000000001 109.316 -173.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 575' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -60.97 -31.24 91.21 Favored 'Trans proline' 0 C--O 1.246 0.878 0 N-CA-C 115.366 1.256 . . . . 12.57 115.366 -167.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 576' ' ' THR . . . . . . . . . . . . . 43.7 p -104.85 -21.11 13.38 Favored 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 113.492 0.923 . . . . 14.83 113.492 -179.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 577' ' ' LEU . . . . . . . . . . . . . 82.3 mt -92.65 2.76 56.54 Favored 'General case' 0 C--N 1.318 -0.801 0 O-C-N 120.166 -1.584 . . . . 17.760000000000002 111.971 -178.238 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -59.38 -38.83 81.49 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 112.842 0.682 . . . . 12.74 112.842 -172.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -64.66 -44.85 94.37 Favored Glycine 0 N--CA 1.468 0.809 0 C-N-CA 120.577 -0.821 . . . . 11.5 112.129 -178.641 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 580' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -62.17 -51.79 66.4 Favored 'General case' 0 N--CA 1.445 -0.675 0 C-N-CA 122.302 0.241 . . . . 23.449999999999999 111.222 176.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 581' ' ' ILE . . . . . . . . . . . . . 61.9 mt -60.0 -43.63 92.92 Favored 'Isoleucine or valine' 0 C--O 1.259 1.58 0 C-N-CA 120.018 -0.673 . . . . 10.91 111.815 -178.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 582' ' ' THR . . . . . . . . . . . . . 97.0 m -55.91 -47.51 77.34 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 116.549 -0.296 . . . . 10.99 110.34 175.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -54.77 -46.19 76.51 Favored Glycine 0 N--CA 1.475 1.293 0 C-N-CA 120.842 -0.695 . . . . 14.210000000000001 112.98 175.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 584' ' ' MET . . . . . . . . . . . . . 95.3 mtp -58.39 -49.51 76.98 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.476 0.917 . . . . 14.220000000000001 113.476 174.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 5.7 mp -67.54 -32.02 72.51 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 112.399 0.518 . . . . 17.140000000000001 112.399 -176.105 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 38.2 mt -60.98 -16.04 38.48 Favored 'General case' 0 C--O 1.241 0.625 0 N-CA-C 114.59 1.33 . . . . 18.960000000000001 114.59 -179.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -75.59 -14.92 60.4 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.435 1.272 . . . . 35.119999999999997 114.435 176.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 92.8 mt -73.85 157.17 6.37 Favored 'Isoleucine or valine' 0 C--O 1.247 0.922 0 C-N-CA 125.529 1.532 . . . . 25.82 110.521 179.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 589' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -55.76 143.22 31.71 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 118.13 0.423 . . . . 33.979999999999997 109.948 177.284 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 590' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -59.04 -33.25 70.54 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.583 0.956 . . . . 18.890000000000001 113.583 177.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 43.3 p -59.78 -44.96 93.65 Favored 'General case' 0 C--O 1.256 1.427 0 N-CA-C 108.913 -0.773 . . . . 18.440000000000001 108.913 -178.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -67.36 -44.04 80.0 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.239 -0.892 . . . . 36.799999999999997 111.22 -179.162 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 86.8 mt -57.54 -42.99 84.02 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 115.842 -0.617 . . . . 13.640000000000001 112.334 175.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 39.3 mt -59.99 -40.89 90.71 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 119.468 -0.893 . . . . 19.84 113.145 174.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -62.57 -42.54 99.61 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 121.11 0.481 . . . . 23.030000000000001 110.371 177.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 48.1 mtp -59.67 -37.91 80.05 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.75 1.019 . . . . 21.559999999999999 113.75 179.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 597' ' ' LEU . . . . . . . . . . . . . 60.9 mt -64.02 -30.89 71.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.573 -0.285 . . . . 16.68 111.71 179.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -92.49 -17.66 24.21 Favored 'General case' 0 C--O 1.211 -0.957 0 C-N-CA 123.119 0.568 . . . . 43.82 112.432 -176.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 599' ' ' SER . . . . . . . . . . . . . 36.5 t -126.67 100.64 28.08 Favored Pre-proline 0 C--O 1.248 0.98 0 C-N-CA 122.731 0.413 . . . . 19.390000000000001 111.897 -171.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -56.26 -35.38 95.6 Favored 'Trans proline' 0 N--CA 1.488 1.175 0 O-C-N 123.47 1.247 . . . . 12.08 112.769 -177.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -67.07 -39.41 86.84 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 118.444 -1.303 . . . . 34.609999999999999 111.377 -177.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 602' ' ' SER . . . . . . . . . . . . . 20.8 m -67.77 -38.43 83.4 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 120.218 -0.593 . . . . 19.91 110.966 177.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 60.7 tp -62.99 -47.94 80.98 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 120.144 -0.622 . . . . 10.41 111.046 175.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 28.9 ttp85 -53.74 -47.84 70.24 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 120.76 -0.376 . . . . 35.700000000000003 110.213 177.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 3.3 p -64.83 -34.69 78.95 Favored 'General case' 0 CA--C 1.56 1.331 0 C-N-CA 116.979 -1.889 . . . . 22.489999999999998 112.603 -173.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -71.17 -42.09 69.52 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 113.344 0.868 . . . . 31.539999999999999 113.344 176.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 75.2 t -57.5 -47.38 85.19 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.982 0 O-C-N 123.513 0.508 . . . . 11.1 111.857 172.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -58.66 -39.14 79.79 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 109.181 -0.674 . . . . 21.079999999999998 109.181 178.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -65.96 -47.19 75.44 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 109.229 -0.656 . . . . 21.829999999999998 109.229 179.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -57.37 -43.39 83.54 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 113.499 0.926 . . . . 11.77 113.499 175.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 611' ' ' VAL . . . . . . . . . . . . . 38.8 t -65.27 -40.74 89.56 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 CA-C-O 118.867 -0.587 . . . . 13.32 110.117 -179.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -57.83 -44.37 86.4 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-O 121.786 0.803 . . . . 14.039999999999999 111.236 174.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 613' ' ' VAL . . . . . . . . . . . . . 36.6 t -62.31 -46.89 95.36 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.32 0 C-N-CA 119.93 -0.708 . . . . 16.329999999999998 111.823 178.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 614' ' ' LEU . . . . . . . . . . . . . 91.1 mt -59.56 -42.7 92.99 Favored 'General case' 0 C--O 1.252 1.214 0 O-C-N 121.371 -0.83 . . . . 16.920000000000002 112.731 176.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 615' ' ' GLN . . . . . 0.64 ' NE2' ' O ' ' A' ' 77' ' ' HOH . 15.1 mt-30 -56.07 -33.5 65.08 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 112.837 0.68 . . . . 27.57 112.837 177.321 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 616' ' ' ALA . . . . . . . . . . . . . . . -83.63 -5.73 59.26 Favored 'General case' 0 C--O 1.25 1.087 0 C-N-CA 120.896 -0.322 . . . . 28.239999999999998 111.77 -178.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -120.75 31.28 6.49 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 111.85 0.315 . . . . 35.18 111.85 -179.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 618' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 116.055 1.872 . . . . 51.0 116.055 166.887 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 109.87 -0.418 . . . . 42.350000000000001 109.87 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 77.2 mt -87.52 154.36 20.68 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 113.054 0.761 . . . . 24.98 113.054 -179.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -107.57 115.07 59.87 Favored Pre-proline 0 C--O 1.244 0.8 0 N-CA-C 113.484 0.92 . . . . 28.710000000000001 113.484 -175.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.25 -16.76 56.18 Favored 'Trans proline' 0 C--O 1.214 -0.717 0 C-N-CA 121.202 1.268 . . . . 24.859999999999999 112.104 -177.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -94.56 0.48 55.26 Favored 'General case' 0 C--O 1.243 0.757 0 N-CA-C 113.007 0.743 . . . . 33.109999999999999 113.007 -178.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.55 150.41 12.15 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 107.935 -1.135 . . . . 26.469999999999999 107.935 179.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -77.91 152.14 33.42 Favored 'General case' 0 C--O 1.212 -0.89 0 N-CA-C 116.536 2.05 . . . . 38.549999999999997 116.536 -176.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 92.8 t -64.45 117.83 5.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 C-N-CA 124.958 1.303 . . . . 22.039999999999999 108.693 175.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -87.52 141.51 28.57 Favored 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 108.781 -0.822 . . . . 20.309999999999999 108.781 -177.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.68 1.22 90.11 Favored Glycine 0 N--CA 1.48 1.571 0 N-CA-C 116.826 1.491 . . . . 20.530000000000001 116.826 171.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.9 124.74 87.4 Favored Pre-proline 0 CA--C 1.56 1.352 0 CA-C-N 117.561 0.681 . . . . 16.510000000000002 111.011 177.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -70.25 146.0 55.92 Favored 'Trans proline' 0 C--O 1.242 0.682 0 C-N-CA 120.925 1.084 . . . . 15.289999999999999 111.816 -178.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 83.9 t -101.49 107.07 20.7 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.235 0 N-CA-C 106.731 -1.581 . . . . 19.059999999999999 106.731 179.084 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 mt -143.06 163.07 33.83 Favored 'General case' 0 C--O 1.284 2.899 0 C-N-CA 126.108 1.763 . . . . 28.640000000000001 108.922 177.175 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 5.7 p80 . . . . . 0 CA--C 1.579 2.06 0 CA-C-N 112.567 -2.106 . . . . 44.009999999999998 115.072 171.43 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' HOH . . . . . 0.593 ' O ' ' NE ' ' A' ' 565' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' HOH . . . . . 0.64 ' O ' ' NE2' ' A' ' 615' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' HOH . . . . . 0.579 ' O ' ' O ' ' A' ' 555' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 544' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 CA--C 1.562 1.894 0 CA-C-O 120.297 0.04 . . . . 41.439999999999998 112.076 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 1.4 mt -96.1 119.84 35.31 Favored 'General case' 0 C--O 1.248 0.988 0 N-CA-C 116.044 1.868 . . . . 36.659999999999997 116.044 -159.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 546' ' ' THR . . . . . . . . . . . . . 44.8 p -98.68 161.58 13.58 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 119.562 -0.855 . . . . 29.289999999999999 110.562 170.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -59.69 -40.83 89.2 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 124.386 1.054 . . . . 22.640000000000001 109.827 178.081 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 34.2 m -60.74 -45.43 94.33 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 114.769 1.396 . . . . 25.199999999999999 114.769 177.971 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 549' ' ' MET . . . . . . . . . . . . . 3.0 ttm -65.82 -44.82 84.48 Favored 'General case' 0 C--O 1.21 -1.004 0 C-N-CA 119.935 -0.706 . . . . 42.740000000000002 110.878 177.289 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -45.18 94.9 Favored 'General case' 0 C--O 1.244 0.812 0 N-CA-C 112.558 0.577 . . . . 21.550000000000001 112.558 179.441 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 551' ' ' ALA . . . . . . . . . . . . . . . -67.37 -26.61 66.55 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 120.615 -0.434 . . . . 20.789999999999999 111.155 -174.273 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 96.8 p -79.26 -22.98 43.98 Favored 'General case' 0 C--O 1.207 -1.149 0 C-N-CA 118.753 -1.179 . . . . 28.09 113.22 179.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -65.9 151.01 95.87 Favored Pre-proline 0 CA--C 1.513 -0.448 0 C-N-CA 122.79 0.436 . . . . 29.07 110.133 173.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -60.13 135.51 62.81 Favored 'Trans proline' 0 C--O 1.236 0.395 0 O-C-N 122.69 0.837 . . . . 35.57 113.171 179.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 555' ' ' PRO . . . . . 0.579 ' O ' ' O ' ' A' ' 79' ' ' HOH . 1.6 Cg_exo -48.95 -33.7 26.76 Favored 'Trans proline' 0 CA--C 1.505 -0.97 0 O-C-N 122.676 0.83 . . . . 39.409999999999997 110.791 -174.014 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 556' ' ' GLN . . . . . . . . . . . . . 8.4 pm0 -65.81 -15.5 62.94 Favored 'General case' 0 CA--C 1.555 1.14 0 N-CA-C 117.434 2.383 . . . . 51.329999999999998 117.434 179.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -112.15 -4.81 14.32 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 119.596 1.089 . . . . 47.520000000000003 112.955 -179.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -64.5 -43.41 94.2 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 116.241 -0.436 . . . . 27.34 110.651 -175.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -68.36 -34.24 75.71 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 119.993 -0.683 . . . . 19.710000000000001 110.456 -175.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 50.2 tp60 -63.73 -44.09 94.6 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.889 0.876 . . . . 30.870000000000001 111.501 175.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 561' ' ' MET . . . . . . . . . . . . . 90.1 mtp -61.73 -40.71 96.05 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 121.949 -0.469 . . . . 30.690000000000001 111.641 177.338 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 54.6 mt -68.97 -44.51 72.78 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 116.012 -0.54 . . . . 15.880000000000001 109.552 179.18 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . -56.86 -43.38 92.44 Favored Glycine 0 N--CA 1.469 0.842 0 N-CA-C 115.141 0.816 . . . . 14.68 115.141 178.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -65.02 -29.3 70.2 Favored 'General case' 0 C--O 1.244 0.801 0 C-N-CA 123.348 0.659 . . . . 35.729999999999997 109.849 -176.139 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 68.9 mtt85 -86.05 -40.56 15.63 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 123.83 0.706 . . . . 33.210000000000001 112.852 178.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 26.1 mt -69.94 -44.72 68.99 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 123.698 0.624 . . . . 19.739999999999998 111.895 -178.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -54.14 -48.72 93.39 Favored Pre-proline 0 CA--C 1.557 1.238 0 N-CA-C 113.297 0.851 . . . . 16.23 113.297 -170.215 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -66.01 -33.54 41.23 Favored 'Trans proline' 0 C--O 1.256 1.389 0 C-N-CA 116.634 -1.778 . . . . 13.800000000000001 112.868 -178.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 569' ' ' LEU . . . . . . . . . . . . . 79.4 mt -61.32 -40.81 95.59 Favored 'General case' 0 C--O 1.251 1.174 0 CA-C-O 121.604 0.716 . . . . 16.239999999999998 112.768 175.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 86.9 mt -74.27 -36.97 44.65 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.591 0 CA-C-N 115.099 -0.955 . . . . 12.31 111.15 -179.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -59.12 -32.07 69.51 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.264 -0.426 . . . . 26.93 111.28 178.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -61.8 -27.23 68.61 Favored 'General case' 0 C--O 1.247 0.926 0 N-CA-C 114.128 1.159 . . . . 14.08 114.128 174.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 573' ' ' MET . . . . . . . . . . . . . 94.1 mtp -91.44 -42.18 10.44 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 113.317 0.858 . . . . 20.469999999999999 113.317 175.672 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -133.24 88.22 36.38 Favored Pre-proline 0 CA--C 1.512 -0.499 0 C-N-CA 123.893 0.877 . . . . 14.130000000000001 109.316 -173.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 575' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -60.97 -31.24 91.21 Favored 'Trans proline' 0 C--O 1.246 0.878 0 N-CA-C 115.366 1.256 . . . . 12.57 115.366 -167.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 576' ' ' THR . . . . . . . . . . . . . 43.7 p -104.85 -21.11 13.38 Favored 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 113.492 0.923 . . . . 14.83 113.492 -179.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 577' ' ' LEU . . . . . . . . . . . . . 82.3 mt -92.65 2.76 56.54 Favored 'General case' 0 C--N 1.318 -0.801 0 O-C-N 120.166 -1.584 . . . . 17.760000000000002 111.971 -178.238 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -59.38 -38.83 81.49 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 112.842 0.682 . . . . 12.74 112.842 -172.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -64.66 -44.85 94.37 Favored Glycine 0 N--CA 1.468 0.809 0 C-N-CA 120.577 -0.821 . . . . 11.5 112.129 -178.641 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 580' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -62.17 -51.79 66.4 Favored 'General case' 0 N--CA 1.445 -0.675 0 C-N-CA 122.302 0.241 . . . . 23.449999999999999 111.222 176.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 581' ' ' ILE . . . . . . . . . . . . . 61.9 mt -60.0 -43.63 92.92 Favored 'Isoleucine or valine' 0 C--O 1.259 1.58 0 C-N-CA 120.018 -0.673 . . . . 10.91 111.815 -178.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 582' ' ' THR . . . . . . . . . . . . . 97.0 m -55.91 -47.51 77.34 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 116.549 -0.296 . . . . 10.99 110.34 175.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -54.77 -46.19 76.51 Favored Glycine 0 N--CA 1.475 1.293 0 C-N-CA 120.842 -0.695 . . . . 14.210000000000001 112.98 175.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 584' ' ' MET . . . . . . . . . . . . . 95.3 mtp -58.39 -49.51 76.98 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.476 0.917 . . . . 14.220000000000001 113.476 174.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 5.7 mp -67.54 -32.02 72.51 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 112.399 0.518 . . . . 17.140000000000001 112.399 -176.105 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 38.2 mt -60.98 -16.04 38.48 Favored 'General case' 0 C--O 1.241 0.625 0 N-CA-C 114.59 1.33 . . . . 18.960000000000001 114.59 -179.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -75.59 -14.92 60.4 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.435 1.272 . . . . 35.119999999999997 114.435 176.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 92.8 mt -73.85 157.17 6.37 Favored 'Isoleucine or valine' 0 C--O 1.247 0.922 0 C-N-CA 125.529 1.532 . . . . 25.82 110.521 179.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 589' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -55.76 143.22 31.71 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 118.13 0.423 . . . . 33.979999999999997 109.948 177.284 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 590' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -59.04 -33.25 70.54 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.583 0.956 . . . . 18.890000000000001 113.583 177.498 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 43.3 p -59.78 -44.96 93.65 Favored 'General case' 0 C--O 1.256 1.427 0 N-CA-C 108.913 -0.773 . . . . 18.440000000000001 108.913 -178.654 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -67.36 -44.04 80.0 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.239 -0.892 . . . . 36.799999999999997 111.22 -179.162 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 86.8 mt -57.54 -42.99 84.02 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 115.842 -0.617 . . . . 13.640000000000001 112.334 175.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 39.3 mt -59.99 -40.89 90.71 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 119.468 -0.893 . . . . 19.84 113.145 174.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -62.57 -42.54 99.61 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 121.11 0.481 . . . . 23.030000000000001 110.371 177.06 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 48.1 mtp -59.67 -37.91 80.05 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.75 1.019 . . . . 21.559999999999999 113.75 179.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 597' ' ' LEU . . . . . . . . . . . . . 60.9 mt -64.02 -30.89 71.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.573 -0.285 . . . . 16.68 111.71 179.282 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -92.49 -17.66 24.21 Favored 'General case' 0 C--O 1.211 -0.957 0 C-N-CA 123.119 0.568 . . . . 43.82 112.432 -176.305 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 599' ' ' SER . . . . . . . . . . . . . 36.5 t -126.67 100.64 28.08 Favored Pre-proline 0 C--O 1.248 0.98 0 C-N-CA 122.731 0.413 . . . . 19.390000000000001 111.897 -171.401 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -56.26 -35.38 95.6 Favored 'Trans proline' 0 N--CA 1.488 1.175 0 O-C-N 123.47 1.247 . . . . 12.08 112.769 -177.436 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -67.07 -39.41 86.84 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 118.444 -1.303 . . . . 34.609999999999999 111.377 -177.557 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 602' ' ' SER . . . . . . . . . . . . . 20.8 m -67.77 -38.43 83.4 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 120.218 -0.593 . . . . 19.91 110.966 177.159 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 60.7 tp -62.99 -47.94 80.98 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 120.144 -0.622 . . . . 10.41 111.046 175.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 28.9 ttp85 -53.74 -47.84 70.24 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 120.76 -0.376 . . . . 35.700000000000003 110.213 177.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 3.3 p -64.83 -34.69 78.95 Favored 'General case' 0 CA--C 1.56 1.331 0 C-N-CA 116.979 -1.889 . . . . 22.489999999999998 112.603 -173.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -71.17 -42.09 69.52 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 113.344 0.868 . . . . 31.539999999999999 113.344 176.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 75.2 t -57.5 -47.38 85.19 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.982 0 O-C-N 123.513 0.508 . . . . 11.1 111.857 172.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -58.66 -39.14 79.79 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 109.181 -0.674 . . . . 21.079999999999998 109.181 178.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -65.96 -47.19 75.44 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 109.229 -0.656 . . . . 21.829999999999998 109.229 179.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -57.37 -43.39 83.54 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 113.499 0.926 . . . . 11.77 113.499 175.302 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 611' ' ' VAL . . . . . . . . . . . . . 38.8 t -65.27 -40.74 89.56 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 CA-C-O 118.867 -0.587 . . . . 13.32 110.117 -179.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -57.83 -44.37 86.4 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-O 121.786 0.803 . . . . 14.039999999999999 111.236 174.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 613' ' ' VAL . . . . . . . . . . . . . 36.6 t -62.31 -46.89 95.36 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.32 0 C-N-CA 119.93 -0.708 . . . . 16.329999999999998 111.823 178.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 614' ' ' LEU . . . . . . . . . . . . . 91.1 mt -59.56 -42.7 92.99 Favored 'General case' 0 C--O 1.252 1.214 0 O-C-N 121.371 -0.83 . . . . 16.920000000000002 112.731 176.09 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -56.07 -33.5 65.08 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 112.837 0.68 . . . . 27.57 112.837 177.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 616' ' ' ALA . . . . . . . . . . . . . . . -83.63 -5.73 59.26 Favored 'General case' 0 C--O 1.25 1.087 0 C-N-CA 120.896 -0.322 . . . . 28.239999999999998 111.77 -178.61 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 617' ' ' HIS . . . . . 0.624 ' O ' ' HB2' ' A' ' 618' ' ' GLN . 80.9 m-70 -120.75 31.28 6.49 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 111.85 0.315 . . . . 35.18 111.85 -179.687 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 618' ' ' GLN . . . . . 0.624 ' HB2' ' O ' ' A' ' 617' ' ' HIS . 55.6 mt-30 . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 116.055 1.872 . . . . 51.0 116.055 166.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 109.87 -0.418 . . . . 42.350000000000001 109.87 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 77.2 mt -87.52 154.36 20.68 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 113.054 0.761 . . . . 24.98 113.054 -179.619 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' ASN . . . . . 0.4 ' HA ' ' HD2' ' B' ' 58' ' ' PRO . 32.7 t30 -107.57 115.07 59.87 Favored Pre-proline 0 C--O 1.244 0.8 0 N-CA-C 113.484 0.92 . . . . 28.710000000000001 113.484 -175.744 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 58' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' B' ' 57' ' ' ASN . 37.8 Cg_endo -65.25 -16.76 56.18 Favored 'Trans proline' 0 C--O 1.214 -0.717 0 C-N-CA 121.202 1.268 . . . . 24.859999999999999 112.104 -177.662 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -94.56 0.48 55.26 Favored 'General case' 0 C--O 1.243 0.757 0 N-CA-C 113.007 0.743 . . . . 33.109999999999999 113.007 -178.888 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.55 150.41 12.15 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 107.935 -1.135 . . . . 26.469999999999999 107.935 179.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -77.91 152.14 33.42 Favored 'General case' 0 C--O 1.212 -0.89 0 N-CA-C 116.536 2.05 . . . . 38.549999999999997 116.536 -176.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 92.8 t -64.45 117.83 5.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 C-N-CA 124.958 1.303 . . . . 22.039999999999999 108.693 175.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -87.52 141.51 28.57 Favored 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 108.781 -0.822 . . . . 20.309999999999999 108.781 -177.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.68 1.22 90.11 Favored Glycine 0 N--CA 1.48 1.571 0 N-CA-C 116.826 1.491 . . . . 20.530000000000001 116.826 171.982 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.9 124.74 87.4 Favored Pre-proline 0 CA--C 1.56 1.352 0 CA-C-N 117.561 0.681 . . . . 16.510000000000002 111.011 177.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -70.25 146.0 55.92 Favored 'Trans proline' 0 C--O 1.242 0.682 0 C-N-CA 120.925 1.084 . . . . 15.289999999999999 111.816 -178.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 83.9 t -101.49 107.07 20.7 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.235 0 N-CA-C 106.731 -1.581 . . . . 19.059999999999999 106.731 179.084 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' LEU . . . . . 0.64 ' HA ' ' O ' ' B' ' 72' ' ' HOH . 6.5 mt -143.06 163.07 33.83 Favored 'General case' 0 C--O 1.284 2.899 0 C-N-CA 126.108 1.763 . . . . 28.640000000000001 108.922 177.175 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 5.7 p80 . . . . . 0 CA--C 1.579 2.06 0 CA-C-N 112.567 -2.106 . . . . 44.009999999999998 115.072 171.43 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 21' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 29' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 79' ' ' HOH . . . . . 0.579 ' O ' ' O ' ' A' ' 555' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 72' ' ' HOH . . . . . 0.64 ' O ' ' HA ' ' B' ' 68' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 544' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 CA--C 1.562 1.894 0 CA-C-O 120.297 0.04 . . . . 41.44 112.076 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 1.4 mt -96.1 119.84 35.31 Favored 'General case' 0 C--O 1.248 0.988 0 N-CA-C 116.044 1.868 . . . . 36.66 116.044 -159.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 546' ' ' THR . . . . . . . . . . . . . 44.8 p -98.68 161.58 13.58 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 119.562 -0.855 . . . . 29.29 110.562 170.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -59.69 -40.83 89.2 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 124.386 1.054 . . . . 22.64 109.827 178.081 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 548' ' ' SER . . . . . . . . . . . . . 34.2 m -60.74 -45.43 94.33 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 114.769 1.396 . . . . 25.2 114.769 177.971 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 549' ' ' MET . . . . . . . . . . . . . 3.0 ttm -65.82 -44.82 84.48 Favored 'General case' 0 C--O 1.21 -1.004 0 C-N-CA 119.935 -0.706 . . . . 42.74 110.878 177.289 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -45.18 94.9 Favored 'General case' 0 C--O 1.244 0.812 0 N-CA-C 112.558 0.577 . . . . 21.55 112.558 179.441 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 551' ' ' ALA . . . . . . . . . . . . . . . -67.37 -26.61 66.55 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 120.615 -0.434 . . . . 20.79 111.155 -174.273 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 96.8 p -79.26 -22.98 43.98 Favored 'General case' 0 C--O 1.207 -1.149 0 C-N-CA 118.753 -1.179 . . . . 28.09 113.22 179.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -65.9 151.01 95.87 Favored Pre-proline 0 CA--C 1.513 -0.448 0 C-N-CA 122.79 0.436 . . . . 29.07 110.133 173.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -60.13 135.51 62.81 Favored 'Trans proline' 0 C--O 1.236 0.395 0 O-C-N 122.69 0.837 . . . . 35.57 113.171 179.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 555' ' ' PRO . . . . . 0.579 ' O ' ' O ' ' A' ' 79' ' ' HOH . 1.6 Cg_exo -48.95 -33.7 26.76 Favored 'Trans proline' 0 CA--C 1.505 -0.97 0 O-C-N 122.676 0.83 . . . . 39.41 110.791 -174.014 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 556' ' ' GLN . . . . . . . . . . . . . 8.4 pm0 -65.81 -15.5 62.94 Favored 'General case' 0 CA--C 1.555 1.14 0 N-CA-C 117.434 2.383 . . . . 51.33 117.434 179.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -112.15 -4.81 14.32 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 119.596 1.089 . . . . 47.52 112.955 -179.989 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 558' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -64.5 -43.41 94.2 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 116.241 -0.436 . . . . 27.34 110.651 -175.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -68.36 -34.24 75.71 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 119.993 -0.683 . . . . 19.71 110.456 -175.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 560' ' ' GLN . . . . . . . . . . . . . 50.2 tp60 -63.73 -44.09 94.6 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.889 0.876 . . . . 30.87 111.501 175.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 561' ' ' MET . . . . . . . . . . . . . 90.1 mtp -61.73 -40.71 96.05 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 121.949 -0.469 . . . . 30.69 111.641 177.338 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 54.6 mt -68.97 -44.51 72.78 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 116.012 -0.54 . . . . 15.88 109.552 179.18 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . -56.86 -43.38 92.44 Favored Glycine 0 N--CA 1.469 0.842 0 N-CA-C 115.141 0.816 . . . . 14.68 115.141 178.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -65.02 -29.3 70.2 Favored 'General case' 0 C--O 1.244 0.801 0 C-N-CA 123.348 0.659 . . . . 35.73 109.849 -176.139 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 68.9 mtt85 -86.05 -40.56 15.63 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 123.83 0.706 . . . . 33.21 112.852 178.47 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 26.1 mt -69.94 -44.72 68.99 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 123.698 0.624 . . . . 19.74 111.895 -178.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 567' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -54.14 -48.72 93.39 Favored Pre-proline 0 CA--C 1.557 1.238 0 N-CA-C 113.297 0.851 . . . . 16.23 113.297 -170.215 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -66.01 -33.54 41.23 Favored 'Trans proline' 0 C--O 1.256 1.389 0 C-N-CA 116.634 -1.778 . . . . 13.8 112.868 -178.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 569' ' ' LEU . . . . . . . . . . . . . 79.4 mt -61.32 -40.81 95.59 Favored 'General case' 0 C--O 1.251 1.174 0 CA-C-O 121.604 0.716 . . . . 16.24 112.768 175.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 570' ' ' ILE . . . . . . . . . . . . . 86.9 mt -74.27 -36.97 44.65 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.591 0 CA-C-N 115.099 -0.955 . . . . 12.31 111.15 -179.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -59.12 -32.07 69.51 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.264 -0.426 . . . . 26.93 111.28 178.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -61.8 -27.23 68.61 Favored 'General case' 0 C--O 1.247 0.926 0 N-CA-C 114.128 1.159 . . . . 14.08 114.128 174.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 573' ' ' MET . . . . . . . . . . . . . 94.1 mtp -91.44 -42.18 10.44 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 113.317 0.858 . . . . 20.47 113.317 175.672 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 574' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -133.24 88.22 36.38 Favored Pre-proline 0 CA--C 1.512 -0.499 0 C-N-CA 123.893 0.877 . . . . 14.13 109.316 -173.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 575' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -60.97 -31.24 91.21 Favored 'Trans proline' 0 C--O 1.246 0.878 0 N-CA-C 115.366 1.256 . . . . 12.57 115.366 -167.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 576' ' ' THR . . . . . . . . . . . . . 43.7 p -104.85 -21.11 13.38 Favored 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 113.492 0.923 . . . . 14.83 113.492 -179.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 577' ' ' LEU . . . . . . . . . . . . . 82.3 mt -92.65 2.76 56.54 Favored 'General case' 0 C--N 1.318 -0.801 0 O-C-N 120.166 -1.584 . . . . 17.76 111.971 -178.238 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -59.38 -38.83 81.49 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 112.842 0.682 . . . . 12.74 112.842 -172.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -64.66 -44.85 94.37 Favored Glycine 0 N--CA 1.468 0.809 0 C-N-CA 120.577 -0.821 . . . . 11.5 112.129 -178.641 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 580' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -62.17 -51.79 66.4 Favored 'General case' 0 N--CA 1.445 -0.675 0 C-N-CA 122.302 0.241 . . . . 23.45 111.222 176.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 581' ' ' ILE . . . . . . . . . . . . . 61.9 mt -60.0 -43.63 92.92 Favored 'Isoleucine or valine' 0 C--O 1.259 1.58 0 C-N-CA 120.018 -0.673 . . . . 10.91 111.815 -178.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 582' ' ' THR . . . . . . . . . . . . . 97.0 m -55.91 -47.51 77.34 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 116.549 -0.296 . . . . 10.99 110.34 175.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 583' ' ' GLY . . . . . . . . . . . . . . . -54.77 -46.19 76.51 Favored Glycine 0 N--CA 1.475 1.293 0 C-N-CA 120.842 -0.695 . . . . 14.21 112.98 175.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 584' ' ' MET . . . . . . . . . . . . . 95.3 mtp -58.39 -49.51 76.98 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.476 0.917 . . . . 14.22 113.476 174.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 5.7 mp -67.54 -32.02 72.51 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 112.399 0.518 . . . . 17.14 112.399 -176.105 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 38.2 mt -60.98 -16.04 38.48 Favored 'General case' 0 C--O 1.241 0.625 0 N-CA-C 114.59 1.33 . . . . 18.96 114.59 -179.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 587' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -75.59 -14.92 60.4 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.435 1.272 . . . . 35.12 114.435 176.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 92.8 mt -73.85 157.17 6.37 Favored 'Isoleucine or valine' 0 C--O 1.247 0.922 0 C-N-CA 125.529 1.532 . . . . 25.82 110.521 179.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 589' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -55.76 143.22 31.71 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 118.13 0.423 . . . . 33.98 109.948 177.284 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 590' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -59.04 -33.25 70.54 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.583 0.956 . . . . 18.89 113.583 177.498 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 43.3 p -59.78 -44.96 93.65 Favored 'General case' 0 C--O 1.256 1.427 0 N-CA-C 108.913 -0.773 . . . . 18.44 108.913 -178.654 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 592' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -67.36 -44.04 80.0 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.239 -0.892 . . . . 36.8 111.22 -179.162 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 86.8 mt -57.54 -42.99 84.02 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 115.842 -0.617 . . . . 13.64 112.334 175.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 594' ' ' LEU . . . . . . . . . . . . . 39.3 mt -59.99 -40.89 90.71 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 119.468 -0.893 . . . . 19.84 113.145 174.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 595' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -62.57 -42.54 99.61 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 121.11 0.481 . . . . 23.03 110.371 177.06 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 596' ' ' MET . . . . . . . . . . . . . 48.1 mtp -59.67 -37.91 80.05 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.75 1.019 . . . . 21.56 113.75 179.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 597' ' ' LEU . . . . . . . . . . . . . 60.9 mt -64.02 -30.89 71.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.573 -0.285 . . . . 16.68 111.71 179.282 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -92.49 -17.66 24.21 Favored 'General case' 0 C--O 1.211 -0.957 0 C-N-CA 123.119 0.568 . . . . 43.82 112.432 -176.305 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 599' ' ' SER . . . . . . . . . . . . . 36.5 t -126.67 100.64 28.08 Favored Pre-proline 0 C--O 1.248 0.98 0 C-N-CA 122.731 0.413 . . . . 19.39 111.897 -171.401 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 600' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -56.26 -35.38 95.6 Favored 'Trans proline' 0 N--CA 1.488 1.175 0 O-C-N 123.47 1.247 . . . . 12.08 112.769 -177.436 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 601' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -67.07 -39.41 86.84 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 118.444 -1.303 . . . . 34.61 111.377 -177.557 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 602' ' ' SER . . . . . . . . . . . . . 20.8 m -67.77 -38.43 83.4 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 120.218 -0.593 . . . . 19.91 110.966 177.159 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 60.7 tp -62.99 -47.94 80.98 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 120.144 -0.622 . . . . 10.41 111.046 175.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 604' ' ' ARG . . . . . . . . . . . . . 28.9 ttp85 -53.74 -47.84 70.24 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 120.76 -0.376 . . . . 35.7 110.213 177.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 605' ' ' SER . . . . . . . . . . . . . 3.3 p -64.83 -34.69 78.95 Favored 'General case' 0 CA--C 1.56 1.331 0 C-N-CA 116.979 -1.889 . . . . 22.49 112.603 -173.47 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -71.17 -42.09 69.52 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 113.344 0.868 . . . . 31.54 113.344 176.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 75.2 t -57.5 -47.38 85.19 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.982 0 O-C-N 123.513 0.508 . . . . 11.1 111.857 172.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -58.66 -39.14 79.79 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 109.181 -0.674 . . . . 21.08 109.181 178.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -65.96 -47.19 75.44 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 109.229 -0.656 . . . . 21.83 109.229 179.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -57.37 -43.39 83.54 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 113.499 0.926 . . . . 11.77 113.499 175.302 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 611' ' ' VAL . . . . . . . . . . . . . 38.8 t -65.27 -40.74 89.56 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 CA-C-O 118.867 -0.587 . . . . 13.32 110.117 -179.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 612' ' ' ALA . . . . . . . . . . . . . . . -57.83 -44.37 86.4 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-O 121.786 0.803 . . . . 14.04 111.236 174.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 613' ' ' VAL . . . . . . . . . . . . . 36.6 t -62.31 -46.89 95.36 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.32 0 C-N-CA 119.93 -0.708 . . . . 16.33 111.823 178.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 614' ' ' LEU . . . . . . . . . . . . . 91.1 mt -59.56 -42.7 92.99 Favored 'General case' 0 C--O 1.252 1.214 0 O-C-N 121.371 -0.83 . . . . 16.92 112.731 176.09 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 615' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -56.07 -33.5 65.08 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 112.837 0.68 . . . . 27.57 112.837 177.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 616' ' ' ALA . . . . . . . . . . . . . . . -83.63 -5.73 59.26 Favored 'General case' 0 C--O 1.25 1.087 0 C-N-CA 120.896 -0.322 . . . . 28.24 111.77 -178.61 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 617' ' ' HIS . . . . . 0.624 ' O ' ' HB2' ' A' ' 618' ' ' GLN . 74.7 m80 -120.75 31.28 6.49 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 111.85 0.315 . . . . 35.18 111.85 -179.687 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 618' ' ' GLN . . . . . 0.624 ' HB2' ' O ' ' A' ' 617' ' ' HIS . 55.6 mt-30 . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 116.055 1.872 . . . . 51.0 116.055 166.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 109.87 -0.418 . . . . 42.35 109.87 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 77.2 mt -87.52 154.36 20.68 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 113.054 0.761 . . . . 24.98 113.054 -179.619 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.4 ' HA ' ' HD2' ' B' ' 58' ' ' PRO . 32.7 t30 -107.57 115.07 59.87 Favored Pre-proline 0 C--O 1.244 0.8 0 N-CA-C 113.484 0.92 . . . . 28.71 113.484 -175.744 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' B' ' 57' ' ' ASN . 37.8 Cg_endo -65.25 -16.76 56.18 Favored 'Trans proline' 0 C--O 1.214 -0.717 0 C-N-CA 121.202 1.268 . . . . 24.86 112.104 -177.662 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -94.56 0.48 55.26 Favored 'General case' 0 C--O 1.243 0.757 0 N-CA-C 113.007 0.743 . . . . 33.11 113.007 -178.888 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.55 150.41 12.15 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 107.935 -1.135 . . . . 26.47 107.935 179.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -77.91 152.14 33.42 Favored 'General case' 0 C--O 1.212 -0.89 0 N-CA-C 116.536 2.05 . . . . 38.55 116.536 -176.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 92.8 t -64.45 117.83 5.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 C-N-CA 124.958 1.303 . . . . 22.04 108.693 175.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -87.52 141.51 28.57 Favored 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 108.781 -0.822 . . . . 20.31 108.781 -177.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.68 1.22 90.11 Favored Glycine 0 N--CA 1.48 1.571 0 N-CA-C 116.826 1.491 . . . . 20.53 116.826 171.982 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.9 124.74 87.4 Favored Pre-proline 0 CA--C 1.56 1.352 0 CA-C-N 117.561 0.681 . . . . 16.51 111.011 177.582 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -70.25 146.0 55.92 Favored 'Trans proline' 0 C--O 1.242 0.682 0 C-N-CA 120.925 1.084 . . . . 15.29 111.816 -178.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 83.9 t -101.49 107.07 20.7 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.235 0 N-CA-C 106.731 -1.581 . . . . 19.06 106.731 179.084 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.64 ' HA ' ' O ' ' B' ' 72' ' ' HOH . 6.5 mt -143.06 163.07 33.83 Favored 'General case' 0 C--O 1.284 2.899 0 C-N-CA 126.108 1.763 . . . . 28.64 108.922 177.175 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' HIS . . . . . . . . . . . . . 5.7 p80 . . . . . 0 CA--C 1.579 2.06 0 CA-C-N 112.567 -2.106 . . . . 44.01 115.072 171.43 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' HOH . . . . . 0.44 ' O ' ' HE1' ' A' ' 617' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' HOH . . . . . 0.579 ' O ' ' O ' ' A' ' 555' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' HOH . . . . . 0.64 ' O ' ' HA ' ' B' ' 68' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_