data_2q8v_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 2q8v _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 ' 8' ' ' LEU . . . . . . . . . . . . . 10.0 mt . . . . . 0 N--CA 1.468 0.472 0 N-CA-C 113.861 1.06 . . . . 60.44 113.861 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -81.72 134.21 35.43 Favored 'General case' 0 C--O 1.25 1.121 0 CA-C-N 115.746 -0.661 . . . . 109.08 112.192 176.751 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 49.9 t -132.84 -32.9 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.134 0 O-C-N 123.683 0.615 . . . . 49.29 112.243 -175.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -64.4 146.71 54.05 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.429 0.9 . . . . 77.46 113.429 179.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 mp -68.38 155.47 39.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.329 -0.396 . . . . 53.1 111.215 170.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' SER . . . . . 0.462 ' O ' ' CB ' ' A' ' 14' ' ' PHE . 89.0 p -99.53 -13.39 19.48 Favored 'General case' 0 N--CA 1.422 -1.864 0 N-CA-C 117.675 2.472 . . . . 57.31 117.675 -156.162 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' PHE . . . . . 0.807 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 14.0 t80 69.4 103.49 0.06 Allowed 'General case' 0 C--O 1.207 -1.184 0 O-C-N 121.114 -0.991 . . . . 74.38 111.627 -157.235 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLU . . . . . 0.807 ' CG ' ' O ' ' A' ' 14' ' ' PHE 0.555 0.1 OUTLIER 103.11 -43.72 0.0 OUTLIER 'General case' 0 C--O 1.181 -2.514 0 N-CA-C 118.119 2.637 . . . . 124.07 118.119 -146.117 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -84.91 -30.51 24.3 Favored 'General case' 0 C--O 1.192 -1.97 0 CA-C-O 122.226 1.013 . . . . 43.68 111.389 155.062 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -71.53 -36.31 70.98 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 115.124 -0.944 . . . . 50.0 108.771 176.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -61.62 -43.81 98.17 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 112.272 0.471 . . . . 37.8 112.272 169.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -60.21 -31.88 70.58 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 112.859 0.689 . . . . 43.91 112.859 178.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 74.3 mmm -66.03 -33.88 76.8 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 112.486 0.55 . . . . 48.79 112.486 175.038 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 55.8 mmt-85 -63.53 -44.78 93.26 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 120.701 0.286 . . . . 75.07 111.243 175.16 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.15 -46.82 95.58 Favored 'Isoleucine or valine' 0 C--O 1.243 0.749 0 CA-C-N 115.634 -0.712 . . . . 40.99 111.592 175.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.5 mmm -57.29 -40.85 78.63 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.558 0.947 . . . . 56.48 113.558 174.174 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -54.88 -55.58 28.85 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 122.788 0.435 . . . . 64.17 111.347 174.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -57.74 -48.09 80.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.611 -0.268 . . . . 92.23 111.492 179.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -60.62 -42.93 97.83 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.456 -0.498 . . . . 63.62 110.499 -179.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.4 t -69.53 -32.8 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 N-CA-C 112.251 0.463 . . . . 38.32 112.251 -175.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.6 p -69.71 -14.99 63.08 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.181 -0.463 . . . . 42.82 111.314 -179.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.66 -6.9 48.34 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.918 1.081 . . . . 37.51 113.918 173.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 35.5 mtt -76.92 140.79 40.63 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 114.751 1.389 . . . . 38.17 114.751 -169.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.1 p -70.0 159.0 34.59 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.533 -0.758 . . . . 35.83 109.755 172.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.4 tp -53.16 -48.21 68.16 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.047 0.388 . . . . 47.65 112.047 176.512 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -58.74 -44.6 90.53 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.546 0.573 . . . . 101.68 112.546 179.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -70.9 -43.41 68.4 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 113.242 0.83 . . . . 55.82 113.242 -176.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.68 -41.96 87.39 Favored 'General case' 0 C--O 1.248 0.996 0 CA-C-O 121.518 0.675 . . . . 34.2 110.065 173.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ARG . . . . . 0.42 ' NH2' ' O ' ' B' ' 30' ' ' MET . 86.6 mtt180 -63.34 -44.56 94.53 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 113.071 0.767 . . . . 47.54 113.071 -178.761 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -74.6 -28.07 60.74 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.349 0.87 . . . . 94.27 113.349 -178.455 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.14 -35.75 61.63 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 116.715 -0.22 . . . . 30.77 110.481 178.559 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.54 -40.77 88.31 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.881 -0.6 . . . . 33.76 111.615 173.37 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 43.3 mt -71.95 -41.83 67.3 Favored 'General case' 0 CA--C 1.506 -0.712 0 CA-C-N 116.309 -0.405 . . . . 32.56 111.298 179.17 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -57.45 -47.34 82.09 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.609 -0.515 . . . . 39.48 109.609 174.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.34 -38.94 91.43 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 123.807 0.692 . . . . 32.53 111.206 -179.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.4 m -63.54 -42.72 98.39 Favored 'General case' 0 CA--C 1.506 -0.723 0 O-C-N 124.152 0.907 . . . . 41.13 110.544 -178.612 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 48.5 ttm-85 -65.7 -43.81 88.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 123.576 0.547 . . . . 59.06 110.9 175.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.49 -32.31 73.89 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.804 -0.358 . . . . 36.99 111.92 179.244 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 32.7 mt -60.97 -46.31 91.26 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.697 0.285 . . . . 30.08 111.131 176.541 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 34.3 mtt -64.07 -38.92 92.82 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 112.535 0.568 . . . . 34.01 112.535 176.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 91.2 mtp -62.62 -38.33 89.77 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 120.933 0.396 . . . . 52.34 111.315 178.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -67.22 -35.39 79.5 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.803 1.038 . . . . 32.03 113.803 175.016 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -58.34 -41.36 84.46 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 120.376 -0.53 . . . . 51.62 111.114 173.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -65.19 -40.55 94.36 Favored 'General case' 0 N--CA 1.447 -0.59 0 O-C-N 124.056 0.847 . . . . 29.51 111.285 177.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.4 t -61.69 -43.15 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 121.245 -0.182 . . . . 30.95 110.719 175.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.5 mt -64.21 -41.23 91.76 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.096 0 C-N-CA 123.274 0.63 . . . . 44.3 110.796 177.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 62.8 ttm-85 -62.73 -38.51 90.81 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.969 -0.292 . . . . 69.61 111.097 179.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.5 m -70.92 -39.03 72.92 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 112.996 0.739 . . . . 58.44 112.996 -179.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.74 -39.54 91.22 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 109.35 -0.611 . . . . 40.81 109.35 -179.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.0 t -70.07 -36.85 70.21 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 O-C-N 123.833 0.708 . . . . 34.97 111.671 175.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -38.61 72.29 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 109.529 -0.545 . . . . 76.09 109.529 175.523 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.8 mtm180 -69.58 56.08 0.12 Allowed 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 121.509 0.671 . . . . 90.68 110.887 168.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.646 0 N-CA-C 106.045 -1.835 . . . . 92.96 106.045 158.556 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.21 -1.009 0 CA-C-O 119.363 -0.351 . . . . 93.34 110.937 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 44.7 m -76.88 141.93 40.38 Favored 'General case' 0 C--O 1.202 -1.414 0 N-CA-C 113.799 1.037 . . . . 51.65 113.799 -171.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -59.73 165.82 2.87 Favored 'General case' 0 C--O 1.183 -2.399 0 C-N-CA 125.4 1.48 . . . . 49.18 109.397 -178.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' GLU . . . . . 0.671 ' O ' ' N ' ' B' ' 17' ' ' GLU . 0.0 OUTLIER -47.9 -50.64 26.06 Favored 'General case' 0 C--O 1.215 -0.763 0 O-C-N 120.961 -1.087 . . . . 52.56 113.778 170.998 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -52.03 25.48 0.0 OUTLIER 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.819 -1.082 . . . . 39.62 112.742 172.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' GLU . . . . . 0.671 ' N ' ' O ' ' B' ' 15' ' ' GLU . 5.3 pt-20 -83.99 15.61 3.31 Favored 'General case' 0 N--CA 1.502 2.129 0 C-N-CA 125.217 1.407 . . . . 58.06 110.609 163.777 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -58.9 -33.47 70.57 Favored 'General case' 0 N--CA 1.426 -1.63 0 CA-C-N 113.342 -1.754 . . . . 50.82 106.32 158.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.04 -42.67 50.03 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 113.905 1.076 . . . . 49.17 113.905 174.21 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 38.8 mmm -63.15 -38.64 91.99 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 113.521 0.934 . . . . 37.57 113.521 175.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -63.42 -50.56 69.31 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 107.971 -1.122 . . . . 80.48 107.971 178.501 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 62.3 t -51.54 -55.05 9.8 Favored 'Isoleucine or valine' 0 C--O 1.241 0.642 0 CA-C-N 115.754 -0.657 . . . . 34.9 110.409 176.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -42.46 64.7 Favored 'General case' 0 C--O 1.225 -0.228 0 C-N-CA 123.905 0.882 . . . . 72.07 111.151 178.636 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -60.67 -38.34 84.61 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 120.786 -0.366 . . . . 55.64 111.255 177.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -64.33 -52.96 55.83 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 123.556 0.535 . . . . 51.56 110.2 179.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -57.64 -44.99 86.03 Favored 'General case' 0 C--O 1.221 -0.397 0 N-CA-C 112.671 0.619 . . . . 45.74 112.671 179.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 5.4 t -63.04 -34.28 65.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 N-CA-C 112.921 0.711 . . . . 41.41 112.921 -177.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 59.7 p -69.89 -6.39 32.43 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.997 0.74 . . . . 51.45 112.997 178.522 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -121.03 7.59 10.35 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.534 -0.466 . . . . 38.36 112.005 177.088 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' MET . . . . . 0.42 ' O ' ' NH2' ' A' ' 36' ' ' ARG . 34.3 mtt -77.42 147.35 36.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.328 -0.397 . . . . 46.24 111.731 175.768 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 86.5 p -82.38 162.1 22.3 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-N 115.387 -0.824 . . . . 38.53 109.65 173.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 21.0 tp -47.92 -48.79 31.54 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.205 0.526 . . . . 37.86 111.299 176.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' GLN . . . . . 0.644 ' NE2' ' CD ' ' B' ' 37' ' ' GLU . 1.3 tm0? -59.4 -38.71 81.29 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 114.889 -1.05 . . . . 67.8 111.453 -176.439 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 56.9 tt0 -82.51 -37.44 25.25 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 121.872 -0.517 . . . . 85.75 111.756 -177.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.27 -42.7 95.96 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 108.849 -0.797 . . . . 44.29 108.849 176.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -64.17 -46.33 84.47 Favored 'General case' 0 C--O 1.244 0.773 0 N-CA-C 114.088 1.144 . . . . 35.91 114.088 176.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' GLU . . . . . 0.644 ' CD ' ' NE2' ' B' ' 33' ' ' GLN . 42.4 mt-10 -62.15 -50.93 69.87 Favored 'General case' 0 C--O 1.237 0.427 0 O-C-N 123.238 0.336 . . . . 85.54 110.109 -179.738 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -42.41 99.13 Favored 'General case' 0 C--O 1.246 0.902 0 O-C-N 124.056 0.848 . . . . 38.39 112.728 -177.764 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.16 -44.18 83.26 Favored 'General case' 0 C--O 1.246 0.885 0 N-CA-C 108.769 -0.826 . . . . 45.07 108.769 176.382 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 16.2 mt -65.62 -41.07 93.13 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 119.767 -0.773 . . . . 34.04 109.826 -178.281 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -61.27 -47.79 84.41 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 120.523 -0.471 . . . . 75.88 110.876 178.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.31 -45.96 76.3 Favored 'General case' 0 C--O 1.243 0.736 0 O-C-N 124.129 0.893 . . . . 27.4 110.625 179.035 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 50.3 m -60.85 -35.74 77.35 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.111 -0.495 . . . . 36.26 111.951 179.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 48.5 ttm-85 -65.42 -45.45 83.87 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.447 0.467 . . . . 36.43 111.746 173.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 87.3 mt -63.06 -38.48 91.37 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 113.599 0.963 . . . . 30.24 113.599 176.042 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 72.9 mt -56.91 -44.69 82.63 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.346 0.499 . . . . 28.47 112.346 177.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 22.2 mtm -66.43 -44.48 82.74 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.138 -0.483 . . . . 42.05 111.777 178.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 70.8 mtp -54.22 -52.56 60.9 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.651 0.611 . . . . 40.93 112.651 171.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -58.65 -37.24 75.53 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.798 1.036 . . . . 30.93 113.798 172.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -58.66 -44.37 90.11 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.939 -0.304 . . . . 60.83 110.392 172.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -59.53 -47.27 86.19 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 113.132 0.79 . . . . 42.23 113.132 178.665 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 49.3 t -55.59 -49.48 73.49 Favored 'Isoleucine or valine' 0 C--O 1.244 0.764 0 CA-C-N 116.213 -0.449 . . . . 30.71 111.05 174.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 24.4 mm -59.65 -38.53 76.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 N-CA-C 109.618 -0.512 . . . . 52.03 109.618 -177.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 16.7 ttm105 -63.26 -37.57 87.75 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.468 -0.787 . . . . 60.32 111.841 178.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 67.6 m -73.35 -44.35 58.94 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 116.51 -0.314 . . . . 40.75 111.54 -178.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 56.5 mt -61.01 -39.94 91.66 Favored 'General case' 0 CA--C 1.517 -0.309 0 O-C-N 123.686 0.616 . . . . 37.26 110.612 -179.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 31.9 t -66.92 -43.59 89.25 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 N-CA-C 108.757 -0.831 . . . . 34.4 108.757 -179.9 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' LYS . . . . . 0.556 ' O ' ' N ' ' B' ' 60' ' ' ALA . 11.4 tttt -57.64 -38.74 75.54 Favored 'General case' 0 CA--C 1.513 -0.466 0 O-C-N 124.568 1.167 . . . . 52.45 109.765 -175.315 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -59.31 47.94 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.678 0 O-C-N 123.747 0.655 . . . . 81.79 110.824 172.034 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' ALA . . . . . 0.556 ' N ' ' O ' ' B' ' 58' ' ' LYS . . . -95.71 58.79 2.01 Favored 'General case' 0 C--O 1.242 0.672 0 C-N-CA 125.062 1.345 . . . . 79.21 108.917 179.767 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.79 75.26 7.73 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 106.65 -1.611 . . . . 59.51 106.65 160.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.334 0 N-CA-C 113.21 0.819 . . . . 143.2 113.21 -167.666 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' URE . . . . . 1.098 ' O ' ' O ' ' A' ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 300' ' ' URE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' HOH . . . . . 1.098 ' O ' ' O ' ' A' ' 301' ' ' URE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.0 mt . . . . . 0 N--CA 1.468 0.472 0 N-CA-C 113.861 1.06 . . . . 60.44 113.861 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -81.72 134.21 35.43 Favored 'General case' 0 C--O 1.25 1.121 0 CA-C-N 115.746 -0.661 . . . . 109.08 112.192 176.751 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 49.9 t -132.84 -32.9 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.134 0 O-C-N 123.683 0.615 . . . . 49.29 112.243 -175.404 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -64.4 146.71 54.05 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.429 0.9 . . . . 77.46 113.429 179.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 mp -68.38 155.47 39.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.329 -0.396 . . . . 53.1 111.215 170.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' SER . . . . . 0.608 ' O ' ' HB3' ' A' ' 14' ' ' PHE . 89.0 p -99.53 -13.39 19.48 Favored 'General case' 0 N--CA 1.422 -1.864 0 N-CA-C 117.675 2.472 . . . . 57.31 117.675 -156.162 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' PHE . . . . . 0.807 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 14.0 t80 69.4 103.49 0.06 Allowed 'General case' 0 C--O 1.207 -1.184 0 O-C-N 121.114 -0.991 . . . . 74.38 111.627 -157.235 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLU . . . . . 0.807 ' CG ' ' O ' ' A' ' 14' ' ' PHE 0.555 0.1 OUTLIER 103.11 -43.72 0.0 OUTLIER 'General case' 0 C--O 1.181 -2.514 0 N-CA-C 118.119 2.637 . . . . 124.07 118.119 -146.117 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLN . . . . . 0.466 ' HB2' ' H ' ' A' ' 13' ' ' SER . 82.4 mt-30 -84.91 -30.51 24.3 Favored 'General case' 0 C--O 1.192 -1.97 0 CA-C-O 122.226 1.013 . . . . 43.68 111.389 155.062 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . 0.405 ' HG3' ' NH2' ' A' ' 21' ' ' ARG . 9.3 tp10 -71.53 -36.31 70.98 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 115.124 -0.944 . . . . 50.0 108.771 176.989 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -61.62 -43.81 98.17 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 112.272 0.471 . . . . 37.8 112.272 169.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -60.21 -31.88 70.58 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 112.859 0.689 . . . . 43.91 112.859 178.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 74.3 mmm -66.03 -33.88 76.8 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 112.486 0.55 . . . . 48.79 112.486 175.038 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ARG . . . . . 0.405 ' NH2' ' HG3' ' A' ' 17' ' ' GLU . 55.8 mmt-85 -63.53 -44.78 93.26 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 120.701 0.286 . . . . 75.07 111.243 175.16 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.15 -46.82 95.58 Favored 'Isoleucine or valine' 0 C--O 1.243 0.749 0 CA-C-N 115.634 -0.712 . . . . 40.99 111.592 175.373 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' MET . . . . . 0.405 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.5 mmm -57.29 -40.85 78.63 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.558 0.947 . . . . 56.48 113.558 174.174 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -54.88 -55.58 28.85 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 122.788 0.435 . . . . 64.17 111.347 174.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -57.74 -48.09 80.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.611 -0.268 . . . . 92.23 111.492 179.457 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -60.62 -42.93 97.83 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.456 -0.498 . . . . 63.62 110.499 -179.161 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 23' ' ' MET . 60.4 t -69.53 -32.8 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 N-CA-C 112.251 0.463 . . . . 38.32 112.251 -175.619 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.6 p -69.71 -14.99 63.08 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.181 -0.463 . . . . 42.82 111.314 -179.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.66 -6.9 48.34 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.918 1.081 . . . . 37.51 113.918 173.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 35.5 mtt -76.92 140.79 40.63 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 114.751 1.389 . . . . 38.17 114.751 -169.373 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.1 p -70.0 159.0 34.59 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.533 -0.758 . . . . 35.83 109.755 172.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.4 tp -53.16 -48.21 68.16 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.047 0.388 . . . . 47.65 112.047 176.512 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -58.74 -44.6 90.53 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.546 0.573 . . . . 101.68 112.546 179.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -70.9 -43.41 68.4 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 113.242 0.83 . . . . 55.82 113.242 -176.215 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.68 -41.96 87.39 Favored 'General case' 0 C--O 1.248 0.996 0 CA-C-O 121.518 0.675 . . . . 34.2 110.065 173.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -63.34 -44.56 94.53 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 113.071 0.767 . . . . 47.54 113.071 -178.761 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -74.6 -28.07 60.74 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.349 0.87 . . . . 94.27 113.349 -178.455 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.14 -35.75 61.63 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 116.715 -0.22 . . . . 30.77 110.481 178.559 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.54 -40.77 88.31 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.881 -0.6 . . . . 33.76 111.615 173.37 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 43.3 mt -71.95 -41.83 67.3 Favored 'General case' 0 CA--C 1.506 -0.712 0 CA-C-N 116.309 -0.405 . . . . 32.56 111.298 179.17 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -57.45 -47.34 82.09 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.609 -0.515 . . . . 39.48 109.609 174.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.34 -38.94 91.43 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 123.807 0.692 . . . . 32.53 111.206 -179.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.4 m -63.54 -42.72 98.39 Favored 'General case' 0 CA--C 1.506 -0.723 0 O-C-N 124.152 0.907 . . . . 41.13 110.544 -178.612 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 48.5 ttm-85 -65.7 -43.81 88.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 123.576 0.547 . . . . 59.06 110.9 175.272 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.49 -32.31 73.89 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.804 -0.358 . . . . 36.99 111.92 179.244 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LEU . . . . . 0.476 HD22 ' HE2' ' B' ' 49' ' ' LYS . 32.7 mt -60.97 -46.31 91.26 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.697 0.285 . . . . 30.08 111.131 176.541 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 34.3 mtt -64.07 -38.92 92.82 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 112.535 0.568 . . . . 34.01 112.535 176.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 91.2 mtp -62.62 -38.33 89.77 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 120.933 0.396 . . . . 52.34 111.315 178.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -67.22 -35.39 79.5 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.803 1.038 . . . . 32.03 113.803 175.016 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -58.34 -41.36 84.46 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 120.376 -0.53 . . . . 51.62 111.114 173.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -65.19 -40.55 94.36 Favored 'General case' 0 N--CA 1.447 -0.59 0 O-C-N 124.056 0.847 . . . . 29.51 111.285 177.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' VAL . . . . . 0.745 HG12 HD12 ' B' ' 53' ' ' ILE . 69.4 t -61.69 -43.15 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 121.245 -0.182 . . . . 30.95 110.719 175.884 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ILE . . . . . 0.678 HG13 HD11 ' B' ' 53' ' ' ILE . 72.5 mt -64.21 -41.23 91.76 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.096 0 C-N-CA 123.274 0.63 . . . . 44.3 110.796 177.861 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ARG . . . . . 0.433 ' HG2' ' HE2' ' A' ' 58' ' ' LYS . 62.8 ttm-85 -62.73 -38.51 90.81 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.969 -0.292 . . . . 69.61 111.097 179.176 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.5 m -70.92 -39.03 72.92 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 112.996 0.739 . . . . 58.44 112.996 -179.82 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.74 -39.54 91.22 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 109.35 -0.611 . . . . 40.81 109.35 -179.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.0 t -70.07 -36.85 70.21 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 O-C-N 123.833 0.708 . . . . 34.97 111.671 175.507 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LYS . . . . . 0.433 ' HE2' ' HG2' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -56.61 -38.61 72.29 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 109.529 -0.545 . . . . 76.09 109.529 175.523 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.8 mtm180 -69.58 56.08 0.12 Allowed 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 121.509 0.671 . . . . 90.68 110.887 168.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.646 0 N-CA-C 106.045 -1.835 . . . . 92.96 106.045 158.556 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.21 -1.009 0 CA-C-O 119.363 -0.351 . . . . 93.34 110.937 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' SER . . . . . 0.496 ' CB ' HN11 ' A' ' 301' ' ' URE . 44.7 m -76.88 141.93 40.38 Favored 'General case' 0 C--O 1.202 -1.414 0 N-CA-C 113.799 1.037 . . . . 51.65 113.799 -171.633 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -59.73 165.82 2.87 Favored 'General case' 0 C--O 1.183 -2.399 0 C-N-CA 125.4 1.48 . . . . 49.18 109.397 -178.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' GLU . . . . . 0.682 ' HG3' ' N ' ' B' ' 16' ' ' GLN . 0.0 OUTLIER -47.9 -50.64 26.06 Favored 'General case' 0 C--O 1.215 -0.763 0 O-C-N 120.961 -1.087 . . . . 52.56 113.778 170.998 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 16' ' ' GLN . . . . . 0.682 ' N ' ' HG3' ' B' ' 15' ' ' GLU . 21.4 mp0 -52.03 25.48 0.0 OUTLIER 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.819 -1.082 . . . . 39.62 112.742 172.69 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 17' ' ' GLU . . . . . 0.714 ' HA ' ' O ' ' A' ' 305' ' ' HOH . 5.3 pt-20 -83.99 15.61 3.31 Favored 'General case' 0 N--CA 1.502 2.129 0 C-N-CA 125.217 1.407 . . . . 58.06 110.609 163.777 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -58.9 -33.47 70.57 Favored 'General case' 0 N--CA 1.426 -1.63 0 CA-C-N 113.342 -1.754 . . . . 50.82 106.32 158.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -50.04 -42.67 50.03 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 113.905 1.076 . . . . 49.17 113.905 174.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 38.8 mmm -63.15 -38.64 91.99 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 113.521 0.934 . . . . 37.57 113.521 175.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -63.42 -50.56 69.31 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 107.971 -1.122 . . . . 80.48 107.971 178.501 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 62.3 t -51.54 -55.05 9.8 Favored 'Isoleucine or valine' 0 C--O 1.241 0.642 0 CA-C-N 115.754 -0.657 . . . . 34.9 110.409 176.757 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -42.46 64.7 Favored 'General case' 0 C--O 1.225 -0.228 0 C-N-CA 123.905 0.882 . . . . 72.07 111.151 178.636 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -60.67 -38.34 84.61 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 120.786 -0.366 . . . . 55.64 111.255 177.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -64.33 -52.96 55.83 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 123.556 0.535 . . . . 51.56 110.2 179.757 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -57.64 -44.99 86.03 Favored 'General case' 0 C--O 1.221 -0.397 0 N-CA-C 112.671 0.619 . . . . 45.74 112.671 179.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 5.4 t -63.04 -34.28 65.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 N-CA-C 112.921 0.711 . . . . 41.41 112.921 -177.292 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 59.7 p -69.89 -6.39 32.43 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.997 0.74 . . . . 51.45 112.997 178.522 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -121.03 7.59 10.35 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.534 -0.466 . . . . 38.36 112.005 177.088 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 34.3 mtt -77.42 147.35 36.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.328 -0.397 . . . . 46.24 111.731 175.768 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 86.5 p -82.38 162.1 22.3 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-N 115.387 -0.824 . . . . 38.53 109.65 173.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 21.0 tp -47.92 -48.79 31.54 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.205 0.526 . . . . 37.86 111.299 176.442 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' GLN . . . . . 0.494 ' OE1' ' CD ' ' B' ' 37' ' ' GLU . 0.4 OUTLIER -59.4 -38.71 81.29 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 114.889 -1.05 . . . . 67.8 111.453 -176.439 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 34' ' ' GLU . . . . . 0.442 ' HG2' HD22 ' B' ' 38' ' ' LEU . 56.9 tt0 -82.51 -37.44 25.25 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 121.872 -0.517 . . . . 85.75 111.756 -177.479 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.27 -42.7 95.96 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 108.849 -0.797 . . . . 44.29 108.849 176.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -64.17 -46.33 84.47 Favored 'General case' 0 C--O 1.244 0.773 0 N-CA-C 114.088 1.144 . . . . 35.91 114.088 176.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' GLU . . . . . 0.494 ' CD ' ' OE1' ' B' ' 33' ' ' GLN . 42.4 mt-10 -62.15 -50.93 69.87 Favored 'General case' 0 C--O 1.237 0.427 0 O-C-N 123.238 0.336 . . . . 85.54 110.109 -179.738 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 38' ' ' LEU . . . . . 0.442 HD22 ' HG2' ' B' ' 34' ' ' GLU . 0.0 OUTLIER -63.27 -42.41 99.13 Favored 'General case' 0 C--O 1.246 0.902 0 O-C-N 124.056 0.848 . . . . 38.39 112.728 -177.764 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.16 -44.18 83.26 Favored 'General case' 0 C--O 1.246 0.885 0 N-CA-C 108.769 -0.826 . . . . 45.07 108.769 176.382 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 16.2 mt -65.62 -41.07 93.13 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 119.767 -0.773 . . . . 34.04 109.826 -178.281 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -61.27 -47.79 84.41 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 120.523 -0.471 . . . . 75.88 110.876 178.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.31 -45.96 76.3 Favored 'General case' 0 C--O 1.243 0.736 0 O-C-N 124.129 0.893 . . . . 27.4 110.625 179.035 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 50.3 m -60.85 -35.74 77.35 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.111 -0.495 . . . . 36.26 111.951 179.366 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 48.5 ttm-85 -65.42 -45.45 83.87 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.447 0.467 . . . . 36.43 111.746 173.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 87.3 mt -63.06 -38.48 91.37 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 113.599 0.963 . . . . 30.24 113.599 176.042 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 72.9 mt -56.91 -44.69 82.63 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.346 0.499 . . . . 28.47 112.346 177.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 22.2 mtm -66.43 -44.48 82.74 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.138 -0.483 . . . . 42.05 111.777 178.073 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 70.8 mtp -54.22 -52.56 60.9 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.651 0.611 . . . . 40.93 112.651 171.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' LYS . . . . . 0.476 ' HE2' HD22 ' A' ' 46' ' ' LEU . 40.6 mttm -58.65 -37.24 75.53 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.798 1.036 . . . . 30.93 113.798 172.394 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -58.66 -44.37 90.11 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.939 -0.304 . . . . 60.83 110.392 172.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -59.53 -47.27 86.19 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 113.132 0.79 . . . . 42.23 113.132 178.665 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 49.3 t -55.59 -49.48 73.49 Favored 'Isoleucine or valine' 0 C--O 1.244 0.764 0 CA-C-N 116.213 -0.449 . . . . 30.71 111.05 174.159 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' ILE . . . . . 0.745 HD12 HG12 ' A' ' 52' ' ' VAL . 24.4 mm -59.65 -38.53 76.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 N-CA-C 109.618 -0.512 . . . . 52.03 109.618 -177.887 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 16.7 ttm105 -63.26 -37.57 87.75 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.468 -0.787 . . . . 60.32 111.841 178.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 67.6 m -73.35 -44.35 58.94 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 116.51 -0.314 . . . . 40.75 111.54 -178.715 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 56.5 mt -61.01 -39.94 91.66 Favored 'General case' 0 CA--C 1.517 -0.309 0 O-C-N 123.686 0.616 . . . . 37.26 110.612 -179.889 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 31.9 t -66.92 -43.59 89.25 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 N-CA-C 108.757 -0.831 . . . . 34.4 108.757 -179.9 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' B' ' 60' ' ' ALA . 11.4 tttt -57.64 -38.74 75.54 Favored 'General case' 0 CA--C 1.513 -0.466 0 O-C-N 124.568 1.167 . . . . 52.45 109.765 -175.315 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -59.31 47.94 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.678 0 O-C-N 123.747 0.655 . . . . 81.79 110.824 172.034 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' ALA . . . . . 0.525 ' HA ' ' O ' ' B' ' 303' ' ' HOH . . . -95.71 58.79 2.01 Favored 'General case' 0 C--O 1.242 0.672 0 C-N-CA 125.062 1.345 . . . . 79.21 108.917 179.767 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.79 75.26 7.73 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 106.65 -1.611 . . . . 59.51 106.65 160.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.334 0 N-CA-C 113.21 0.819 . . . . 143.2 113.21 -167.666 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' URE . . . . . 1.098 ' O ' ' O ' ' A' ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 300' ' ' URE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 305' ' ' HOH . . . . . 1.098 ' O ' ' O ' ' A' ' 301' ' ' URE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 303' ' ' HOH . . . . . 0.525 ' O ' ' HA ' ' B' ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.0 mt . . . . . 0 N--CA 1.468 0.472 0 N-CA-C 113.861 1.06 . . . . 60.44 113.861 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -81.72 134.21 35.43 Favored 'General case' 0 C--O 1.25 1.121 0 CA-C-N 115.746 -0.661 . . . . 109.08 112.192 176.751 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 49.9 t -132.84 -32.9 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.134 0 O-C-N 123.683 0.615 . . . . 49.29 112.243 -175.404 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -64.4 146.71 54.05 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.429 0.9 . . . . 77.46 113.429 179.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 mp -68.38 155.47 39.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.329 -0.396 . . . . 53.1 111.215 170.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' SER . . . . . 0.608 ' O ' ' HB3' ' A' ' 14' ' ' PHE . 89.0 p -99.53 -13.39 19.48 Favored 'General case' 0 N--CA 1.422 -1.864 0 N-CA-C 117.675 2.472 . . . . 57.31 117.675 -156.162 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.807 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 14.0 t80 69.4 103.49 0.06 Allowed 'General case' 0 C--O 1.207 -1.184 0 O-C-N 121.114 -0.991 . . . . 74.38 111.627 -157.235 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.807 ' CG ' ' O ' ' A' ' 14' ' ' PHE 0.555 0.1 OUTLIER 103.11 -43.72 0.0 OUTLIER 'General case' 0 C--O 1.181 -2.514 0 N-CA-C 118.119 2.637 . . . . 124.07 118.119 -146.117 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.466 ' HB2' ' H ' ' A' ' 13' ' ' SER . 82.4 mt-30 -84.91 -30.51 24.3 Favored 'General case' 0 C--O 1.192 -1.97 0 CA-C-O 122.226 1.013 . . . . 43.68 111.389 155.062 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.405 ' HG3' ' NH2' ' A' ' 21' ' ' ARG . 9.3 tp10 -71.53 -36.31 70.98 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 115.124 -0.944 . . . . 50.0 108.771 176.989 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -61.62 -43.81 98.17 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 112.272 0.471 . . . . 37.8 112.272 169.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.465 HE21 ' HA ' ' A' ' 16' ' ' GLN . 6.0 mt-30 -60.21 -31.88 70.58 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 112.859 0.689 . . . . 43.91 112.859 178.796 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 74.3 mmm -66.03 -33.88 76.8 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 112.486 0.55 . . . . 48.79 112.486 175.038 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.405 ' NH2' ' HG3' ' A' ' 17' ' ' GLU . 55.8 mmt-85 -63.53 -44.78 93.26 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 120.701 0.286 . . . . 75.07 111.243 175.16 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.15 -46.82 95.58 Favored 'Isoleucine or valine' 0 C--O 1.243 0.749 0 CA-C-N 115.634 -0.712 . . . . 40.99 111.592 175.373 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' MET . . . . . 0.405 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.5 mmm -57.29 -40.85 78.63 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.558 0.947 . . . . 56.48 113.558 174.174 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -54.88 -55.58 28.85 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 122.788 0.435 . . . . 64.17 111.347 174.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -57.74 -48.09 80.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.611 -0.268 . . . . 92.23 111.492 179.457 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -60.62 -42.93 97.83 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.456 -0.498 . . . . 63.62 110.499 -179.161 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 23' ' ' MET . 60.4 t -69.53 -32.8 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 N-CA-C 112.251 0.463 . . . . 38.32 112.251 -175.619 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.6 p -69.71 -14.99 63.08 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.181 -0.463 . . . . 42.82 111.314 -179.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.66 -6.9 48.34 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.918 1.081 . . . . 37.51 113.918 173.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 35.5 mtt -76.92 140.79 40.63 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 114.751 1.389 . . . . 38.17 114.751 -169.373 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.1 p -70.0 159.0 34.59 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.533 -0.758 . . . . 35.83 109.755 172.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.4 tp -53.16 -48.21 68.16 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.047 0.388 . . . . 47.65 112.047 176.512 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -58.74 -44.6 90.53 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.546 0.573 . . . . 101.68 112.546 179.617 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -70.9 -43.41 68.4 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 113.242 0.83 . . . . 55.82 113.242 -176.215 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.68 -41.96 87.39 Favored 'General case' 0 C--O 1.248 0.996 0 CA-C-O 121.518 0.675 . . . . 34.2 110.065 173.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -63.34 -44.56 94.53 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 113.071 0.767 . . . . 47.54 113.071 -178.761 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -74.6 -28.07 60.74 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.349 0.87 . . . . 94.27 113.349 -178.455 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.14 -35.75 61.63 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 116.715 -0.22 . . . . 30.77 110.481 178.559 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.54 -40.77 88.31 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.881 -0.6 . . . . 33.76 111.615 173.37 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 43.3 mt -71.95 -41.83 67.3 Favored 'General case' 0 CA--C 1.506 -0.712 0 CA-C-N 116.309 -0.405 . . . . 32.56 111.298 179.17 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -57.45 -47.34 82.09 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.609 -0.515 . . . . 39.48 109.609 174.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.34 -38.94 91.43 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 123.807 0.692 . . . . 32.53 111.206 -179.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.4 m -63.54 -42.72 98.39 Favored 'General case' 0 CA--C 1.506 -0.723 0 O-C-N 124.152 0.907 . . . . 41.13 110.544 -178.612 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 48.5 ttm-85 -65.7 -43.81 88.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 123.576 0.547 . . . . 59.06 110.9 175.272 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.49 -32.31 73.89 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.804 -0.358 . . . . 36.99 111.92 179.244 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.476 HD22 ' HE2' ' B' ' 49' ' ' LYS . 32.7 mt -60.97 -46.31 91.26 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.697 0.285 . . . . 30.08 111.131 176.541 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 34.3 mtt -64.07 -38.92 92.82 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 112.535 0.568 . . . . 34.01 112.535 176.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 91.2 mtp -62.62 -38.33 89.77 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 120.933 0.396 . . . . 52.34 111.315 178.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -67.22 -35.39 79.5 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.803 1.038 . . . . 32.03 113.803 175.016 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -58.34 -41.36 84.46 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 120.376 -0.53 . . . . 51.62 111.114 173.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -65.19 -40.55 94.36 Favored 'General case' 0 N--CA 1.447 -0.59 0 O-C-N 124.056 0.847 . . . . 29.51 111.285 177.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.745 HG12 HD12 ' B' ' 53' ' ' ILE . 69.4 t -61.69 -43.15 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 121.245 -0.182 . . . . 30.95 110.719 175.884 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.678 HG13 HD11 ' B' ' 53' ' ' ILE . 72.5 mt -64.21 -41.23 91.76 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.096 0 C-N-CA 123.274 0.63 . . . . 44.3 110.796 177.861 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.433 ' HG2' ' HE2' ' A' ' 58' ' ' LYS . 62.8 ttm-85 -62.73 -38.51 90.81 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.969 -0.292 . . . . 69.61 111.097 179.176 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.5 m -70.92 -39.03 72.92 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 112.996 0.739 . . . . 58.44 112.996 -179.82 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.74 -39.54 91.22 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 109.35 -0.611 . . . . 40.81 109.35 -179.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.0 t -70.07 -36.85 70.21 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 O-C-N 123.833 0.708 . . . . 34.97 111.671 175.507 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.433 ' HE2' ' HG2' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -56.61 -38.61 72.29 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 109.529 -0.545 . . . . 76.09 109.529 175.523 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.8 mtm180 -69.58 56.08 0.12 Allowed 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 121.509 0.671 . . . . 90.68 110.887 168.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.646 0 N-CA-C 106.045 -1.835 . . . . 92.96 106.045 158.556 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.21 -1.009 0 CA-C-O 119.363 -0.351 . . . . 93.34 110.937 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' SER . . . . . 0.496 ' CB ' HN11 ' A' ' 301' ' ' URE . 44.7 m -76.88 141.93 40.38 Favored 'General case' 0 C--O 1.202 -1.414 0 N-CA-C 113.799 1.037 . . . . 51.65 113.799 -171.633 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -59.73 165.82 2.87 Favored 'General case' 0 C--O 1.183 -2.399 0 C-N-CA 125.4 1.48 . . . . 49.18 109.397 -178.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.682 ' HG3' ' N ' ' B' ' 16' ' ' GLN . 0.0 OUTLIER -47.9 -50.64 26.06 Favored 'General case' 0 C--O 1.215 -0.763 0 O-C-N 120.961 -1.087 . . . . 52.56 113.778 170.998 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.682 ' N ' ' HG3' ' B' ' 15' ' ' GLU . 21.4 mp0 -52.03 25.48 0.0 OUTLIER 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.819 -1.082 . . . . 39.62 112.742 172.69 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' GLU . . . . . 0.714 ' HA ' ' O ' ' A' ' 305' ' ' HOH . 5.3 pt-20 -83.99 15.61 3.31 Favored 'General case' 0 N--CA 1.502 2.129 0 C-N-CA 125.217 1.407 . . . . 58.06 110.609 163.777 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -58.9 -33.47 70.57 Favored 'General case' 0 N--CA 1.426 -1.63 0 CA-C-N 113.342 -1.754 . . . . 50.82 106.32 158.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.04 -42.67 50.03 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 113.905 1.076 . . . . 49.17 113.905 174.21 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 38.8 mmm -63.15 -38.64 91.99 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 113.521 0.934 . . . . 37.57 113.521 175.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -63.42 -50.56 69.31 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 107.971 -1.122 . . . . 80.48 107.971 178.501 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 62.3 t -51.54 -55.05 9.8 Favored 'Isoleucine or valine' 0 C--O 1.241 0.642 0 CA-C-N 115.754 -0.657 . . . . 34.9 110.409 176.757 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -42.46 64.7 Favored 'General case' 0 C--O 1.225 -0.228 0 C-N-CA 123.905 0.882 . . . . 72.07 111.151 178.636 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -60.67 -38.34 84.61 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 120.786 -0.366 . . . . 55.64 111.255 177.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -64.33 -52.96 55.83 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 123.556 0.535 . . . . 51.56 110.2 179.757 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -57.64 -44.99 86.03 Favored 'General case' 0 C--O 1.221 -0.397 0 N-CA-C 112.671 0.619 . . . . 45.74 112.671 179.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 5.4 t -63.04 -34.28 65.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 N-CA-C 112.921 0.711 . . . . 41.41 112.921 -177.292 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 59.7 p -69.89 -6.39 32.43 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.997 0.74 . . . . 51.45 112.997 178.522 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -121.03 7.59 10.35 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.534 -0.466 . . . . 38.36 112.005 177.088 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 34.3 mtt -77.42 147.35 36.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.328 -0.397 . . . . 46.24 111.731 175.768 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 86.5 p -82.38 162.1 22.3 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-N 115.387 -0.824 . . . . 38.53 109.65 173.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 21.0 tp -47.92 -48.79 31.54 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.205 0.526 . . . . 37.86 111.299 176.442 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.736 HE22 ' CD ' ' B' ' 37' ' ' GLU . 1.3 tm0? -59.4 -38.71 81.29 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 114.889 -1.05 . . . . 67.8 111.453 -176.439 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.442 ' HG2' HD22 ' B' ' 38' ' ' LEU . 56.9 tt0 -82.51 -37.44 25.25 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 121.872 -0.517 . . . . 85.75 111.756 -177.479 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.27 -42.7 95.96 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 108.849 -0.797 . . . . 44.29 108.849 176.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -64.17 -46.33 84.47 Favored 'General case' 0 C--O 1.244 0.773 0 N-CA-C 114.088 1.144 . . . . 35.91 114.088 176.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' GLU . . . . . 0.736 ' CD ' HE22 ' B' ' 33' ' ' GLN . 42.4 mt-10 -62.15 -50.93 69.87 Favored 'General case' 0 C--O 1.237 0.427 0 O-C-N 123.238 0.336 . . . . 85.54 110.109 -179.738 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.442 HD22 ' HG2' ' B' ' 34' ' ' GLU . 0.0 OUTLIER -63.27 -42.41 99.13 Favored 'General case' 0 C--O 1.246 0.902 0 O-C-N 124.056 0.848 . . . . 38.39 112.728 -177.764 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.16 -44.18 83.26 Favored 'General case' 0 C--O 1.246 0.885 0 N-CA-C 108.769 -0.826 . . . . 45.07 108.769 176.382 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 16.2 mt -65.62 -41.07 93.13 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 119.767 -0.773 . . . . 34.04 109.826 -178.281 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -61.27 -47.79 84.41 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 120.523 -0.471 . . . . 75.88 110.876 178.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.31 -45.96 76.3 Favored 'General case' 0 C--O 1.243 0.736 0 O-C-N 124.129 0.893 . . . . 27.4 110.625 179.035 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 50.3 m -60.85 -35.74 77.35 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.111 -0.495 . . . . 36.26 111.951 179.366 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 48.5 ttm-85 -65.42 -45.45 83.87 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.447 0.467 . . . . 36.43 111.746 173.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 87.3 mt -63.06 -38.48 91.37 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 113.599 0.963 . . . . 30.24 113.599 176.042 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 72.9 mt -56.91 -44.69 82.63 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.346 0.499 . . . . 28.47 112.346 177.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 22.2 mtm -66.43 -44.48 82.74 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.138 -0.483 . . . . 42.05 111.777 178.073 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 70.8 mtp -54.22 -52.56 60.9 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.651 0.611 . . . . 40.93 112.651 171.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.476 ' HE2' HD22 ' A' ' 46' ' ' LEU . 40.6 mttm -58.65 -37.24 75.53 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.798 1.036 . . . . 30.93 113.798 172.394 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -58.66 -44.37 90.11 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.939 -0.304 . . . . 60.83 110.392 172.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -59.53 -47.27 86.19 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 113.132 0.79 . . . . 42.23 113.132 178.665 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 49.3 t -55.59 -49.48 73.49 Favored 'Isoleucine or valine' 0 C--O 1.244 0.764 0 CA-C-N 116.213 -0.449 . . . . 30.71 111.05 174.159 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' ILE . . . . . 0.745 HD12 HG12 ' A' ' 52' ' ' VAL . 24.4 mm -59.65 -38.53 76.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 N-CA-C 109.618 -0.512 . . . . 52.03 109.618 -177.887 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 16.7 ttm105 -63.26 -37.57 87.75 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.468 -0.787 . . . . 60.32 111.841 178.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 67.6 m -73.35 -44.35 58.94 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 116.51 -0.314 . . . . 40.75 111.54 -178.715 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 56.5 mt -61.01 -39.94 91.66 Favored 'General case' 0 CA--C 1.517 -0.309 0 O-C-N 123.686 0.616 . . . . 37.26 110.612 -179.889 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 31.9 t -66.92 -43.59 89.25 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 N-CA-C 108.757 -0.831 . . . . 34.4 108.757 -179.9 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' B' ' 60' ' ' ALA . 11.4 tttt -57.64 -38.74 75.54 Favored 'General case' 0 CA--C 1.513 -0.466 0 O-C-N 124.568 1.167 . . . . 52.45 109.765 -175.315 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -59.31 47.94 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.678 0 O-C-N 123.747 0.655 . . . . 81.79 110.824 172.034 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' ALA . . . . . 0.525 ' HA ' ' O ' ' B' ' 303' ' ' HOH . . . -95.71 58.79 2.01 Favored 'General case' 0 C--O 1.242 0.672 0 C-N-CA 125.062 1.345 . . . . 79.21 108.917 179.767 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.79 75.26 7.73 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 106.65 -1.611 . . . . 59.51 106.65 160.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.334 0 N-CA-C 113.21 0.819 . . . . 143.2 113.21 -167.666 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' URE . . . . . 1.098 ' O ' ' O ' ' A' ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 300' ' ' URE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 305' ' ' HOH . . . . . 1.098 ' O ' ' O ' ' A' ' 301' ' ' URE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 303' ' ' HOH . . . . . 0.525 ' O ' ' HA ' ' B' ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_