data_6kz1_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6kz1 _Structure_validation_residue.Date_analyzed 2020-09-25 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 ' 811' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.475 -2.421 0 N-CA-C 110.115 -1.194 . . . . 73.13 110.115 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -55.76 137.64 79.06 Favored 'Trans proline' 0 C--N 1.405 3.5 1 C-N-CA 112.822 -4.319 . . . . 44.24 112.404 -175.008 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 813' ' ' GLY . . . . . 0.897 ' O ' ' O ' ' A' 1001 ' ' HOH . . . 97.43 -3.11 61.27 Favored Glycine 0 C--O 1.181 -3.167 0 O-C-N 124.51 1.131 . . . . 36.94 115.01 172.801 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 3.5 p -105.19 148.32 27.04 Favored 'General case' 0 C--O 1.204 -1.33 0 N-CA-C 113.958 1.095 . . . . 39.96 113.958 179.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 815' ' ' THR . . . . . . . . . . . . . 63.8 m -134.66 135.48 42.1 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 107.28 -1.378 . . . . 32.82 107.28 -178.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 816' ' ' LEU . . . . . . . . . . . . . 27.3 tp -91.83 119.71 31.87 Favored 'General case' 0 C--O 1.211 -0.927 0 N-CA-C 108.627 -0.879 . . . . 42.72 108.627 173.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 817' ' ' VAL . . . . . . . . . . . . . 97.0 t -111.99 120.56 62.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 123.675 0.79 . . . . 27.97 112.298 -179.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -98.16 114.66 26.95 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 119.769 -0.772 . . . . 28.78 109.161 177.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 87.6 t -102.72 116.14 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 N-CA-C 109.566 -0.531 . . . . 26.06 109.566 -175.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 14.2 tttm -66.72 140.0 57.85 Favored 'General case' 0 C--O 1.242 0.677 0 O-C-N 122.388 -0.195 . . . . 49.12 110.982 175.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 821' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -79.39 69.94 5.73 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 109.458 -0.571 . . . . 38.18 109.458 177.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 68.4 p -83.24 -18.73 38.16 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 112.876 0.695 . . . . 37.54 112.876 -169.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -126.97 175.66 7.91 Favored 'General case' 0 C--O 1.218 -0.571 0 C-N-CA 123.403 0.681 . . . . 39.81 109.268 -176.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -75.56 -14.46 60.4 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 114.542 1.312 . . . . 42.66 114.542 -178.349 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 44.9 p -136.8 168.93 18.6 Favored 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 107.964 -1.124 . . . . 42.34 107.964 175.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 826' ' ' LEU . . . . . . . . . . . . . 11.0 tp -74.1 -38.67 63.8 Favored 'General case' 0 N--CA 1.437 -1.085 0 O-C-N 124.329 1.018 . . . . 39.17 108.81 176.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 75.25 39.64 36.04 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.284 -0.871 . . . . 36.0 110.994 176.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 828' ' ' ILE . . . . . . . . . . . . . 23.9 pt -128.29 155.22 39.84 Favored 'Isoleucine or valine' 0 C--O 1.244 0.785 0 C-N-CA 120.161 -0.615 . . . . 32.7 109.844 169.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -108.77 138.12 45.61 Favored 'General case' 0 C--O 1.25 1.089 0 N-CA-C 107.752 -1.203 . . . . 28.0 107.752 165.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 23.9 pt -125.45 150.88 30.94 Favored 'Isoleucine or valine' 0 C--O 1.251 1.154 0 C-N-CA 120.099 -0.64 . . . . 32.59 110.783 176.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -129.08 141.23 51.28 Favored 'General case' 0 CA--C 1.501 -0.926 0 O-C-N 124.245 0.965 . . . . 56.57 108.673 -179.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . 109.32 -179.48 20.95 Favored Glycine 0 C--O 1.24 0.47 0 C-N-CA 119.36 -1.4 . . . . 28.45 114.282 170.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 833' ' ' GLY . . . . . . . . . . . . . . . 142.33 179.55 19.32 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 107.327 -2.309 . . . . 25.17 107.327 -171.815 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -59.87 140.97 56.25 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.132 0.491 . . . . 35.39 111.73 -167.396 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 3.2 m120 60.42 39.41 18.54 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 114.529 1.307 . . . . 73.67 114.529 179.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 26.5 p -131.11 168.27 17.72 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 105.331 -2.1 . . . . 46.0 105.331 169.071 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 837' ' ' ARG . . . . . . . . . . . . . . . -62.58 -16.0 54.08 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.581 -0.281 . . . . 43.67 111.565 178.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 838' ' ' GLN . . . . . . . . . . . . . 62.6 tp60 -120.32 86.33 38.3 Favored Pre-proline 0 C--O 1.258 1.549 0 N-CA-C 107.655 -1.239 . . . . 43.4 107.655 177.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 839' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -73.75 -20.62 19.82 Favored 'Trans proline' 0 C--N 1.35 0.654 0 N-CA-C 114.969 1.103 . . . . 29.55 114.969 -163.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 840' ' ' LEU . . . . . . . . . . . . . 38.8 mt -116.83 144.98 34.46 Favored Pre-proline 0 CA--C 1.512 -0.499 0 N-CA-C 107.079 -1.452 . . . . 38.07 107.079 169.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 841' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -64.04 137.84 59.26 Favored 'Trans proline' 0 C--N 1.351 0.664 0 N-CA-C 116.208 1.58 . . . . 27.06 116.208 -173.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 842' ' ' ARG . . . . . . . . . . . . . 1.7 ttt85 -108.7 139.84 42.94 Favored 'General case' 0 CA--C 1.498 -1.031 0 CA-C-N 115.477 -0.783 . . . . 56.5 111.329 178.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 73.7 mt -75.5 120.0 24.39 Favored 'Isoleucine or valine' 0 C--N 1.345 0.4 0 C-N-CA 118.218 -1.393 . . . . 24.44 109.683 175.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 844' ' ' VAL . . . . . . . . . . . . . 28.0 m -100.81 -23.34 4.42 Favored 'Isoleucine or valine' 0 C--O 1.244 0.765 0 C-N-CA 117.844 -1.542 . . . . 38.04 114.015 -178.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 14.6 m -145.69 148.33 32.92 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 122.865 0.466 . . . . 40.1 110.507 176.722 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 846' ' ' ILE . . . . . . . . . . . . . 67.9 mt -126.42 111.92 27.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 106.641 -1.614 . . . . 34.1 106.641 170.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 847' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -81.72 137.45 35.37 Favored 'General case' 0 C--O 1.245 0.855 0 N-CA-C 114.31 1.226 . . . . 63.17 114.31 -178.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . . . -60.82 140.43 57.64 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 107.684 -1.228 . . . . 45.09 107.684 175.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 849' ' ' GLY . . . . . . . . . . . . . . . 91.2 -12.16 69.99 Favored Glycine 0 C--O 1.224 -0.524 0 N-CA-C 115.48 0.952 . . . . 45.9 115.48 177.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -89.0 172.45 40.2 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 119.945 -1.121 . . . . 36.2 111.001 179.039 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 67.4 m -62.36 -38.39 89.36 Favored 'General case' 0 C--O 1.22 -0.453 0 C-N-CA 120.762 -0.375 . . . . 29.54 111.205 -177.012 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 852' ' ' ALA . . . . . . . . . . . . . . . -67.54 -41.5 84.21 Favored 'General case' 0 C--O 1.262 1.741 0 C-N-CA 119.008 -1.077 . . . . 28.08 111.558 -176.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 853' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -60.95 -38.01 84.38 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 120.287 -0.565 . . . . 54.17 109.534 178.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 854' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -66.93 -33.33 75.35 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 122.492 1.139 . . . . 48.99 111.69 -176.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 855' ' ' CYS . . . . . . . . . . . . . 1.9 t -69.91 -40.55 75.52 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 114.725 -1.125 . . . . 51.47 110.996 -175.456 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . 79.17 -1.91 73.11 Favored Glycine 0 C--O 1.197 -2.174 0 N-CA-C 117.465 1.746 . . . . 43.16 117.465 -179.346 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 857' ' ' GLN . . . . . 0.582 ' NE2' ' O ' ' A' 1003 ' ' HOH . 34.1 mt-30 -104.32 -12.47 16.59 Favored 'General case' 0 C--O 1.183 -2.429 0 CA-C-N 118.294 1.047 . . . . 81.2 113.813 -175.626 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 858' ' ' LEU . . . . . . . . . . . . . 20.0 mt -99.25 143.44 29.52 Favored 'General case' 0 C--O 1.179 -2.63 0 N-CA-C 108.227 -1.027 . . . . 30.43 108.227 177.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 859' ' ' LYS . . . . . 0.63 ' NZ ' ' O ' ' A' 1002 ' ' HOH . 51.5 mttp -134.12 156.03 49.02 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.87 0.693 . . . . 62.18 112.87 -177.451 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 860' ' ' VAL . . . . . . . . . . . . . 63.0 t -63.82 130.35 28.58 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.859 0 N-CA-C 108.283 -1.006 . . . . 29.89 108.283 174.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 861' ' ' GLY . . . . . . . . . . . . . . . 102.04 -17.42 54.27 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 116.233 1.253 . . . . 25.35 116.233 -172.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 862' ' ' HIS . . . . . . . . . . . . . 2.7 m170 -60.82 139.22 58.01 Favored 'General case' 0 CA--C 1.512 -0.481 0 C-N-CA 118.924 -1.111 . . . . 27.68 110.309 174.13 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 53.4 t -104.76 127.52 59.16 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 N-CA-C 107.695 -1.224 . . . . 24.35 107.695 173.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 864' ' ' ILE . . . . . . . . . . . . . 71.4 mt -88.49 114.39 26.84 Favored 'Isoleucine or valine' 0 C--O 1.242 0.67 0 CA-C-O 121.199 0.523 . . . . 25.19 111.157 -176.512 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 865' ' ' LEU . . . . . . . . . . . . . 38.2 mt -89.57 -40.34 12.68 Favored 'General case' 0 C--O 1.244 0.795 0 N-CA-C 113.156 0.798 . . . . 28.2 113.156 -177.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 866' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -144.23 150.14 37.49 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-N 116.172 -0.467 . . . . 44.04 111.054 -177.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 867' ' ' VAL . . . . . . . . . . . . . 68.9 t -125.53 118.62 52.88 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 N-CA-C 105.746 -1.946 . . . . 26.14 105.746 177.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 868' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 50.48 34.03 8.74 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.801 0.81 . . . . 31.67 112.413 -176.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 88.08 -5.94 84.16 Favored Glycine 0 C--O 1.239 0.447 0 C-N-CA 120.514 -0.851 . . . . 35.47 114.282 176.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 870' ' ' LEU . . . . . . . . . . . . . 37.3 tp -89.25 123.73 33.74 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 117.098 0.449 . . . . 52.33 111.38 176.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 871' ' ' THR . . . . . . . . . . . . . 13.0 t -68.25 142.69 55.53 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 119.077 -1.049 . . . . 36.28 111.322 -179.239 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 872' ' ' LEU . . . . . . . . . . . . . 45.0 mt -94.48 -2.05 52.43 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.582 -0.735 . . . . 29.4 111.589 173.205 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 873' ' ' ARG . . . . . . . . . . . . . 46.2 ttm-85 -64.63 128.97 38.05 Favored 'General case' 0 C--N 1.346 0.432 0 N-CA-C 107.78 -1.193 . . . . 51.15 107.78 178.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . 92.39 -10.64 73.84 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.004 -1.093 . . . . 36.26 112.502 178.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -87.59 128.47 35.26 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 117.91 0.855 . . . . 61.29 109.686 178.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -65.08 158.69 25.1 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.249 -0.648 . . . . 85.48 109.249 175.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 877' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -50.04 -47.62 53.22 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.079 0.77 . . . . 30.25 113.079 -176.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 67.9 mtm180 -64.26 -31.31 72.46 Favored 'General case' 0 C--O 1.249 1.038 0 C-N-CA 119.192 -1.003 . . . . 58.09 112.567 -176.453 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 879' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -75.9 -42.81 47.95 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 109.859 -0.423 . . . . 86.41 109.859 -179.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 880' ' ' ALA . . . . . . . . . . . . . . . -58.77 -43.83 90.49 Favored 'General case' 0 C--O 1.244 0.793 0 C-N-CA 119.914 -0.714 . . . . 26.83 111.789 175.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 881' ' ' ALA . . . . . . . . . . . . . . . -64.94 -37.79 88.8 Favored 'General case' 0 C--O 1.245 0.834 0 C-N-CA 118.649 -1.221 . . . . 30.19 110.45 -178.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 882' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -68.01 -33.25 74.25 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 119.496 -0.881 . . . . 81.55 110.99 -178.648 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 883' ' ' ILE . . . . . . . . . . . . . 45.9 mt -64.56 -41.86 93.5 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.85 0 C-N-CA 119.593 -0.843 . . . . 37.15 109.607 178.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 884' ' ' ILE . . . . . . . . . . . . . 88.9 mt -70.04 -43.29 79.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 CA-C-O 122.251 1.024 . . . . 26.09 110.658 -177.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -58.6 -42.01 87.13 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 121.43 -0.794 . . . . 34.11 112.878 176.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -70.23 -36.19 74.36 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.675 -0.41 . . . . 75.75 110.633 -179.138 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 887' ' ' ALA . . . . . . . . . . . . . . . -62.47 -33.14 74.25 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.312 -0.404 . . . . 29.62 111.725 173.522 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 888' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -75.79 -37.89 58.77 Favored 'General case' 0 C--O 1.25 1.098 0 C-N-CA 119.966 -0.694 . . . . 38.67 111.048 178.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 889' ' ' LYS . . . . . . . . . . . . . 37.7 mttm -74.28 -28.32 61.15 Favored 'General case' 0 C--O 1.248 0.988 0 CA-C-N 115.456 -0.793 . . . . 68.25 111.866 -173.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 890' ' ' THR . . . . . . . . . . . . . 13.9 t -63.06 147.32 51.09 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 118.234 -1.386 . . . . 36.01 113.338 -170.402 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 891' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -96.71 3.67 52.27 Favored 'General case' 0 C--O 1.185 -2.318 0 N-CA-C 112.052 0.389 . . . . 83.41 112.052 178.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 892' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -64.27 -28.02 69.44 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 113.518 0.932 . . . . 56.97 113.518 179.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 7.7 ptp85 -156.03 167.32 30.79 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.246 -0.433 . . . . 39.47 110.076 -178.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 894' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -108.72 23.6 14.3 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 118.952 -1.099 . . . . 47.18 112.429 -174.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 895' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -146.66 168.44 21.3 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 109.202 -0.666 . . . . 31.49 109.202 179.298 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 896' ' ' ILE . . . . . . . . . . . . . 53.5 mt -124.82 133.83 68.43 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.568 0 O-C-N 124.582 1.176 . . . . 29.75 108.444 165.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 897' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -91.29 122.9 34.31 Favored 'General case' 0 C--O 1.222 -0.361 0 O-C-N 123.57 0.544 . . . . 32.06 110.253 174.525 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 898' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -114.79 127.26 55.63 Favored 'General case' 0 CA--C 1.497 -1.078 0 CA-C-O 118.421 -0.799 . . . . 25.46 109.287 175.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 899' ' ' LEU . . . . . . . . . . . . . 32.1 tp -91.66 121.33 33.22 Favored 'General case' 0 CA--C 1.504 -0.804 0 N-CA-C 105.56 -2.015 . . . . 27.32 105.56 169.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 900' ' ' VAL . . . . . . . . . . . . . 32.7 m -126.21 163.35 28.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 C-N-CA 119.558 -0.857 . . . . 23.83 110.842 -174.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 901' ' ' THR . . . . . . . . . . . . . 8.9 t -134.8 151.21 50.76 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 107.566 -1.272 . . . . 24.81 107.566 175.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 902' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -91.89 -8.82 45.33 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 120.262 -0.575 . . . . 57.21 109.832 175.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 903' ' ' PHE . . . . . . . . . . . . . 10.4 m-30 -70.53 155.66 40.43 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 121.381 0.61 . . . . 41.35 110.28 177.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 904' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -73.28 147.71 44.29 Favored 'General case' 0 C--O 1.242 0.699 0 N-CA-C 108.013 -1.106 . . . . 51.68 108.013 167.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 905' ' ' VAL . . . . . . . . . . . . . 61.0 t -122.79 118.3 54.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 105.144 -2.169 . . . . 31.67 105.144 175.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 906' ' ' MET . . . . . . . . . . . . . 82.6 mtp -115.56 -10.61 11.86 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 114.762 1.393 . . . . 66.37 114.762 -175.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 42.0 mt . . . . . 0 C--O 1.203 -1.388 0 N-CA-C 106.125 -1.806 . . . . 42.25 106.125 175.322 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 3500 ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.223 0 CA-C-O 120.839 0.352 . . . . 62.5 111.415 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 3501 ' ' LEU . . . . . . . . . . . . . 26.7 mt -99.97 47.14 0.95 Allowed 'General case' 0 C--O 1.239 0.506 0 CA-C-O 120.87 0.367 . . . . 50.64 110.076 173.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 3502 ' ' THR . . . . . . . . . . . . . 65.3 p -131.99 131.55 42.67 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 115.719 -0.673 . . . . 37.63 110.067 -177.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 3503 ' ' LEU . . . . . . . . . . . . . 85.0 mt -81.27 151.38 69.39 Favored Pre-proline 0 N--CA 1.477 0.895 0 C-N-CA 120.425 -0.51 . . . . 36.74 111.753 174.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 3504 ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -67.48 164.17 31.93 Favored 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 120.728 0.952 . . . . 34.05 109.825 168.782 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 3505 ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -48.66 132.93 26.35 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 O-C-N 122.692 0.838 . . . . 39.36 110.324 164.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 3506 ' ' SER . . . . . . . . . . . . . 32.5 t -83.4 149.4 26.71 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 116.277 -2.169 . . . . 39.95 110.301 -176.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 3507 ' ' GLU . . . . . 0.417 ' N ' ' O ' ' B' 3601 ' ' HOH . . . -104.85 9.22 34.87 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-N 115.53 -0.759 . . . . 40.81 109.445 -179.915 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 3508 ' ' ILE . . . . . . . . . . . . . 81.8 mt -131.82 134.8 59.74 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.757 0 CA-C-N 114.98 -1.009 . . . . 40.97 109.591 178.22 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 3509 ' ' THR . . . . . . . . . . . . . 94.9 m -129.41 135.34 48.56 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 123.781 0.676 . . . . 27.86 111.594 -178.081 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 3510 ' ' LEU . . . . . . . . . . . . . 29.4 mt -90.06 125.23 35.34 Favored 'General case' 0 C--O 1.206 -1.199 0 C-N-CA 123.942 0.897 . . . . 30.0 108.58 175.543 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 3511 ' ' LEU . . . . . . . . . . . . . 15.1 mt . . . . . 0 C--O 1.192 -1.951 0 O-C-N 124.726 1.266 . . . . 36.32 109.302 179.235 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1001 ' ' HOH . . . . . 0.897 ' O ' ' O ' ' A' ' 813' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1002 ' ' HOH . . . . . 0.63 ' O ' ' NZ ' ' A' ' 859' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1003 ' ' HOH . . . . . 0.582 ' O ' ' NE2' ' A' ' 857' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1013 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1018 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1019 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1020 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1021 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1022 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1023 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1024 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1025 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1026 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1027 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1028 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1029 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1030 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1031 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1032 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1033 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1034 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1035 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1036 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1037 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1038 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1039 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1040 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1041 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1042 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1043 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1044 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1045 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1046 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1047 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 3601 ' ' HOH . . . . . 0.417 ' O ' ' N ' ' B' 3507 ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 3602 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 3603 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 3604 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 3605 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 3606 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 811' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.475 -2.421 0 N-CA-C 110.115 -1.194 . . . . 73.13 110.115 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -55.76 137.64 79.06 Favored 'Trans proline' 0 C--N 1.405 3.5 1 C-N-CA 112.822 -4.319 . . . . 44.24 112.404 -175.008 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 813' ' ' GLY . . . . . 0.897 ' O ' ' O ' ' A' 1001 ' ' HOH . . . 97.43 -3.11 61.27 Favored Glycine 0 C--O 1.181 -3.167 0 O-C-N 124.51 1.131 . . . . 36.94 115.01 172.801 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 3.5 p -105.19 148.32 27.04 Favored 'General case' 0 C--O 1.204 -1.33 0 N-CA-C 113.958 1.095 . . . . 39.96 113.958 179.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 815' ' ' THR . . . . . . . . . . . . . 63.8 m -134.66 135.48 42.1 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 107.28 -1.378 . . . . 32.82 107.28 -178.334 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 816' ' ' LEU . . . . . . . . . . . . . 27.3 tp -91.83 119.71 31.87 Favored 'General case' 0 C--O 1.211 -0.927 0 N-CA-C 108.627 -0.879 . . . . 42.72 108.627 173.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 817' ' ' VAL . . . . . . . . . . . . . 97.0 t -111.99 120.56 62.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 123.675 0.79 . . . . 27.97 112.298 -179.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -98.16 114.66 26.95 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 119.769 -0.772 . . . . 28.78 109.161 177.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 87.6 t -102.72 116.14 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 N-CA-C 109.566 -0.531 . . . . 26.06 109.566 -175.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 14.2 tttm -66.72 140.0 57.85 Favored 'General case' 0 C--O 1.242 0.677 0 O-C-N 122.388 -0.195 . . . . 49.12 110.982 175.208 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 821' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -79.39 69.94 5.73 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 109.458 -0.571 . . . . 38.18 109.458 177.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 68.4 p -83.24 -18.73 38.16 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 112.876 0.695 . . . . 37.54 112.876 -169.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -126.97 175.66 7.91 Favored 'General case' 0 C--O 1.218 -0.571 0 C-N-CA 123.403 0.681 . . . . 39.81 109.268 -176.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -75.56 -14.46 60.4 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 114.542 1.312 . . . . 42.66 114.542 -178.349 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 44.9 p -136.8 168.93 18.6 Favored 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 107.964 -1.124 . . . . 42.34 107.964 175.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 826' ' ' LEU . . . . . . . . . . . . . 11.0 tp -74.1 -38.67 63.8 Favored 'General case' 0 N--CA 1.437 -1.085 0 O-C-N 124.329 1.018 . . . . 39.17 108.81 176.774 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 75.25 39.64 36.04 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.284 -0.871 . . . . 36.0 110.994 176.344 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 828' ' ' ILE . . . . . . . . . . . . . 23.9 pt -128.29 155.22 39.84 Favored 'Isoleucine or valine' 0 C--O 1.244 0.785 0 C-N-CA 120.161 -0.615 . . . . 32.7 109.844 169.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -108.77 138.12 45.61 Favored 'General case' 0 C--O 1.25 1.089 0 N-CA-C 107.752 -1.203 . . . . 28.0 107.752 165.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 23.9 pt -125.45 150.88 30.94 Favored 'Isoleucine or valine' 0 C--O 1.251 1.154 0 C-N-CA 120.099 -0.64 . . . . 32.59 110.783 176.188 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -129.08 141.23 51.28 Favored 'General case' 0 CA--C 1.501 -0.926 0 O-C-N 124.245 0.965 . . . . 56.57 108.673 -179.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . 109.32 -179.48 20.95 Favored Glycine 0 C--O 1.24 0.47 0 C-N-CA 119.36 -1.4 . . . . 28.45 114.282 170.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 833' ' ' GLY . . . . . . . . . . . . . . . 142.33 179.55 19.32 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 107.327 -2.309 . . . . 25.17 107.327 -171.815 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -59.87 140.97 56.25 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.132 0.491 . . . . 35.39 111.73 -167.396 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 3.2 m120 60.42 39.41 18.54 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 114.529 1.307 . . . . 73.67 114.529 179.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 26.5 p -131.11 168.27 17.72 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 105.331 -2.1 . . . . 46.0 105.331 169.071 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 837' ' ' ARG . . . . . . . . . . . . . . . -62.58 -16.0 54.08 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.581 -0.281 . . . . 43.67 111.565 178.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 838' ' ' GLN . . . . . . . . . . . . . 62.6 tp60 -120.32 86.33 38.3 Favored Pre-proline 0 C--O 1.258 1.549 0 N-CA-C 107.655 -1.239 . . . . 43.4 107.655 177.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 839' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -73.75 -20.62 19.82 Favored 'Trans proline' 0 C--N 1.35 0.654 0 N-CA-C 114.969 1.103 . . . . 29.55 114.969 -163.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 840' ' ' LEU . . . . . 0.526 HD12 HG11 ' A' ' 905' ' ' VAL . 38.8 mt -116.83 144.98 34.46 Favored Pre-proline 0 CA--C 1.512 -0.499 0 N-CA-C 107.079 -1.452 . . . . 38.07 107.079 169.494 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 841' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -64.04 137.84 59.26 Favored 'Trans proline' 0 C--N 1.351 0.664 0 N-CA-C 116.208 1.58 . . . . 27.06 116.208 -173.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 842' ' ' ARG . . . . . . . . . . . . . 1.7 ttt85 -108.7 139.84 42.94 Favored 'General case' 0 CA--C 1.498 -1.031 0 CA-C-N 115.477 -0.783 . . . . 56.5 111.329 178.569 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 73.7 mt -75.5 120.0 24.39 Favored 'Isoleucine or valine' 0 C--N 1.345 0.4 0 C-N-CA 118.218 -1.393 . . . . 24.44 109.683 175.187 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 844' ' ' VAL . . . . . . . . . . . . . 28.0 m -100.81 -23.34 4.42 Favored 'Isoleucine or valine' 0 C--O 1.244 0.765 0 C-N-CA 117.844 -1.542 . . . . 38.04 114.015 -178.342 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 14.6 m -145.69 148.33 32.92 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 122.865 0.466 . . . . 40.1 110.507 176.722 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 846' ' ' ILE . . . . . . . . . . . . . 67.9 mt -126.42 111.92 27.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 106.641 -1.614 . . . . 34.1 106.641 170.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 847' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -81.72 137.45 35.37 Favored 'General case' 0 C--O 1.245 0.855 0 N-CA-C 114.31 1.226 . . . . 63.17 114.31 -178.294 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . . . -60.82 140.43 57.64 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 107.684 -1.228 . . . . 45.09 107.684 175.801 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 849' ' ' GLY . . . . . . . . . . . . . . . 91.2 -12.16 69.99 Favored Glycine 0 C--O 1.224 -0.524 0 N-CA-C 115.48 0.952 . . . . 45.9 115.48 177.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -89.0 172.45 40.2 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 119.945 -1.121 . . . . 36.2 111.001 179.039 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 67.4 m -62.36 -38.39 89.36 Favored 'General case' 0 C--O 1.22 -0.453 0 C-N-CA 120.762 -0.375 . . . . 29.54 111.205 -177.012 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 852' ' ' ALA . . . . . . . . . . . . . . . -67.54 -41.5 84.21 Favored 'General case' 0 C--O 1.262 1.741 0 C-N-CA 119.008 -1.077 . . . . 28.08 111.558 -176.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 853' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -60.95 -38.01 84.38 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 120.287 -0.565 . . . . 54.17 109.534 178.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 854' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -66.93 -33.33 75.35 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 122.492 1.139 . . . . 48.99 111.69 -176.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 855' ' ' CYS . . . . . . . . . . . . . 1.9 t -69.91 -40.55 75.52 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 114.725 -1.125 . . . . 51.47 110.996 -175.456 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . 79.17 -1.91 73.11 Favored Glycine 0 C--O 1.197 -2.174 0 N-CA-C 117.465 1.746 . . . . 43.16 117.465 -179.346 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 857' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -104.32 -12.47 16.59 Favored 'General case' 0 C--O 1.183 -2.429 0 CA-C-N 118.294 1.047 . . . . 81.2 113.813 -175.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 858' ' ' LEU . . . . . . . . . . . . . 20.0 mt -99.25 143.44 29.52 Favored 'General case' 0 C--O 1.179 -2.63 0 N-CA-C 108.227 -1.027 . . . . 30.43 108.227 177.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 859' ' ' LYS . . . . . 0.63 ' NZ ' ' O ' ' A' 1002 ' ' HOH . 51.5 mttp -134.12 156.03 49.02 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.87 0.693 . . . . 62.18 112.87 -177.451 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 860' ' ' VAL . . . . . . . . . . . . . 63.0 t -63.82 130.35 28.58 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.859 0 N-CA-C 108.283 -1.006 . . . . 29.89 108.283 174.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 861' ' ' GLY . . . . . . . . . . . . . . . 102.04 -17.42 54.27 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 116.233 1.253 . . . . 25.35 116.233 -172.731 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 862' ' ' HIS . . . . . . . . . . . . . 2.7 m170 -60.82 139.22 58.01 Favored 'General case' 0 CA--C 1.512 -0.481 0 C-N-CA 118.924 -1.111 . . . . 27.68 110.309 174.13 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 53.4 t -104.76 127.52 59.16 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 N-CA-C 107.695 -1.224 . . . . 24.35 107.695 173.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 864' ' ' ILE . . . . . . . . . . . . . 71.4 mt -88.49 114.39 26.84 Favored 'Isoleucine or valine' 0 C--O 1.242 0.67 0 CA-C-O 121.199 0.523 . . . . 25.19 111.157 -176.512 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 865' ' ' LEU . . . . . 0.465 HD23 HD13 ' A' ' 840' ' ' LEU . 38.2 mt -89.57 -40.34 12.68 Favored 'General case' 0 C--O 1.244 0.795 0 N-CA-C 113.156 0.798 . . . . 28.2 113.156 -177.487 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 866' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -144.23 150.14 37.49 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-N 116.172 -0.467 . . . . 44.04 111.054 -177.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 867' ' ' VAL . . . . . . . . . . . . . 68.9 t -125.53 118.62 52.88 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 N-CA-C 105.746 -1.946 . . . . 26.14 105.746 177.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 868' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 50.48 34.03 8.74 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.801 0.81 . . . . 31.67 112.413 -176.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 88.08 -5.94 84.16 Favored Glycine 0 C--O 1.239 0.447 0 C-N-CA 120.514 -0.851 . . . . 35.47 114.282 176.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 870' ' ' LEU . . . . . . . . . . . . . 37.3 tp -89.25 123.73 33.74 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 117.098 0.449 . . . . 52.33 111.38 176.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 871' ' ' THR . . . . . . . . . . . . . 13.0 t -68.25 142.69 55.53 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 119.077 -1.049 . . . . 36.28 111.322 -179.239 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 872' ' ' LEU . . . . . . . . . . . . . 45.0 mt -94.48 -2.05 52.43 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.582 -0.735 . . . . 29.4 111.589 173.205 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 873' ' ' ARG . . . . . . . . . . . . . 46.2 ttm-85 -64.63 128.97 38.05 Favored 'General case' 0 C--N 1.346 0.432 0 N-CA-C 107.78 -1.193 . . . . 51.15 107.78 178.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . 92.39 -10.64 73.84 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.004 -1.093 . . . . 36.26 112.502 178.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -87.59 128.47 35.26 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 117.91 0.855 . . . . 61.29 109.686 178.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -65.08 158.69 25.1 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.249 -0.648 . . . . 85.48 109.249 175.063 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 877' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -50.04 -47.62 53.22 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.079 0.77 . . . . 30.25 113.079 -176.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 67.9 mtm180 -64.26 -31.31 72.46 Favored 'General case' 0 C--O 1.249 1.038 0 C-N-CA 119.192 -1.003 . . . . 58.09 112.567 -176.453 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 879' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -75.9 -42.81 47.95 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 109.859 -0.423 . . . . 86.41 109.859 -179.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 880' ' ' ALA . . . . . . . . . . . . . . . -58.77 -43.83 90.49 Favored 'General case' 0 C--O 1.244 0.793 0 C-N-CA 119.914 -0.714 . . . . 26.83 111.789 175.113 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 881' ' ' ALA . . . . . . . . . . . . . . . -64.94 -37.79 88.8 Favored 'General case' 0 C--O 1.245 0.834 0 C-N-CA 118.649 -1.221 . . . . 30.19 110.45 -178.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 882' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -68.01 -33.25 74.25 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 119.496 -0.881 . . . . 81.55 110.99 -178.648 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 883' ' ' ILE . . . . . . . . . . . . . 45.9 mt -64.56 -41.86 93.5 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.85 0 C-N-CA 119.593 -0.843 . . . . 37.15 109.607 178.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 884' ' ' ILE . . . . . . . . . . . . . 88.9 mt -70.04 -43.29 79.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 CA-C-O 122.251 1.024 . . . . 26.09 110.658 -177.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -58.6 -42.01 87.13 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 121.43 -0.794 . . . . 34.11 112.878 176.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -70.23 -36.19 74.36 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.675 -0.41 . . . . 75.75 110.633 -179.138 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 887' ' ' ALA . . . . . . . . . . . . . . . -62.47 -33.14 74.25 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.312 -0.404 . . . . 29.62 111.725 173.522 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 888' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -75.79 -37.89 58.77 Favored 'General case' 0 C--O 1.25 1.098 0 C-N-CA 119.966 -0.694 . . . . 38.67 111.048 178.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 889' ' ' LYS . . . . . . . . . . . . . 37.7 mttm -74.28 -28.32 61.15 Favored 'General case' 0 C--O 1.248 0.988 0 CA-C-N 115.456 -0.793 . . . . 68.25 111.866 -173.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 890' ' ' THR . . . . . . . . . . . . . 13.9 t -63.06 147.32 51.09 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 118.234 -1.386 . . . . 36.01 113.338 -170.402 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 891' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -96.71 3.67 52.27 Favored 'General case' 0 C--O 1.185 -2.318 0 N-CA-C 112.052 0.389 . . . . 83.41 112.052 178.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 892' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -64.27 -28.02 69.44 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 113.518 0.932 . . . . 56.97 113.518 179.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 7.7 ptp85 -156.03 167.32 30.79 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.246 -0.433 . . . . 39.47 110.076 -178.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 894' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -108.72 23.6 14.3 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 118.952 -1.099 . . . . 47.18 112.429 -174.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 895' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -146.66 168.44 21.3 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 109.202 -0.666 . . . . 31.49 109.202 179.298 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 896' ' ' ILE . . . . . . . . . . . . . 53.5 mt -124.82 133.83 68.43 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.568 0 O-C-N 124.582 1.176 . . . . 29.75 108.444 165.305 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 897' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -91.29 122.9 34.31 Favored 'General case' 0 C--O 1.222 -0.361 0 O-C-N 123.57 0.544 . . . . 32.06 110.253 174.525 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 898' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -114.79 127.26 55.63 Favored 'General case' 0 CA--C 1.497 -1.078 0 CA-C-O 118.421 -0.799 . . . . 25.46 109.287 175.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 899' ' ' LEU . . . . . . . . . . . . . 32.1 tp -91.66 121.33 33.22 Favored 'General case' 0 CA--C 1.504 -0.804 0 N-CA-C 105.56 -2.015 . . . . 27.32 105.56 169.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 900' ' ' VAL . . . . . . . . . . . . . 32.7 m -126.21 163.35 28.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 C-N-CA 119.558 -0.857 . . . . 23.83 110.842 -174.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 901' ' ' THR . . . . . . . . . . . . . 8.9 t -134.8 151.21 50.76 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 107.566 -1.272 . . . . 24.81 107.566 175.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 902' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -91.89 -8.82 45.33 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 120.262 -0.575 . . . . 57.21 109.832 175.342 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 903' ' ' PHE . . . . . . . . . . . . . 10.4 m-30 -70.53 155.66 40.43 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 121.381 0.61 . . . . 41.35 110.28 177.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 904' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -73.28 147.71 44.29 Favored 'General case' 0 C--O 1.242 0.699 0 N-CA-C 108.013 -1.106 . . . . 51.68 108.013 167.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 905' ' ' VAL . . . . . 0.526 HG11 HD12 ' A' ' 840' ' ' LEU . 61.0 t -122.79 118.3 54.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 105.144 -2.169 . . . . 31.67 105.144 175.632 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 906' ' ' MET . . . . . . . . . . . . . 82.6 mtp -115.56 -10.61 11.86 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 114.762 1.393 . . . . 66.37 114.762 -175.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 42.0 mt . . . . . 0 C--O 1.203 -1.388 0 N-CA-C 106.125 -1.806 . . . . 42.25 106.125 175.322 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 3500 ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.223 0 CA-C-O 120.839 0.352 . . . . 62.5 111.415 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 3501 ' ' LEU . . . . . . . . . . . . . 26.7 mt -99.97 47.14 0.95 Allowed 'General case' 0 C--O 1.239 0.506 0 CA-C-O 120.87 0.367 . . . . 50.64 110.076 173.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 3502 ' ' THR . . . . . . . . . . . . . 65.3 p -131.99 131.55 42.67 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 115.719 -0.673 . . . . 37.63 110.067 -177.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 3503 ' ' LEU . . . . . . . . . . . . . 85.0 mt -81.27 151.38 69.39 Favored Pre-proline 0 N--CA 1.477 0.895 0 C-N-CA 120.425 -0.51 . . . . 36.74 111.753 174.273 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 3504 ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -67.48 164.17 31.93 Favored 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 120.728 0.952 . . . . 34.05 109.825 168.782 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 3505 ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -48.66 132.93 26.35 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 O-C-N 122.692 0.838 . . . . 39.36 110.324 164.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 3506 ' ' SER . . . . . . . . . . . . . 32.5 t -83.4 149.4 26.71 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 116.277 -2.169 . . . . 39.95 110.301 -176.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 3507 ' ' GLU . . . . . . . . . . . . . . . -104.85 9.22 34.87 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-N 115.53 -0.759 . . . . 40.81 109.445 -179.915 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 3508 ' ' ILE . . . . . . . . . . . . . 81.8 mt -131.82 134.8 59.74 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.757 0 CA-C-N 114.98 -1.009 . . . . 40.97 109.591 178.22 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 3509 ' ' THR . . . . . . . . . . . . . 94.9 m -129.41 135.34 48.56 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 123.781 0.676 . . . . 27.86 111.594 -178.081 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 3510 ' ' LEU . . . . . . . . . . . . . 29.4 mt -90.06 125.23 35.34 Favored 'General case' 0 C--O 1.206 -1.199 0 C-N-CA 123.942 0.897 . . . . 30.0 108.58 175.543 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 3511 ' ' LEU . . . . . . . . . . . . . 15.1 mt . . . . . 0 C--O 1.192 -1.951 0 O-C-N 124.726 1.266 . . . . 36.32 109.302 179.235 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1001 ' ' HOH . . . . . 0.897 ' O ' ' O ' ' A' ' 813' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1002 ' ' HOH . . . . . 0.63 ' O ' ' NZ ' ' A' ' 859' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1013 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1018 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1019 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1020 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1021 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1022 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1023 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1024 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1025 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1026 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1027 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1028 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1029 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1030 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1031 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1032 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1033 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1034 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1035 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1036 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1037 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1038 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1039 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1040 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1041 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1042 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1043 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1044 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1045 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1046 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1047 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 3601 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 3602 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 3603 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 3604 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 3605 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 3606 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 811' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.475 -2.421 0 N-CA-C 110.115 -1.194 . . . . 73.13 110.115 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -55.76 137.64 79.06 Favored 'Trans proline' 0 C--N 1.405 3.5 1 C-N-CA 112.822 -4.319 . . . . 44.24 112.404 -175.008 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 813' ' ' GLY . . . . . 0.897 ' O ' ' O ' ' A' 1001 ' ' HOH . . . 97.43 -3.11 61.27 Favored Glycine 0 C--O 1.181 -3.167 0 O-C-N 124.51 1.131 . . . . 36.94 115.01 172.801 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 3.5 p -105.19 148.32 27.04 Favored 'General case' 0 C--O 1.204 -1.33 0 N-CA-C 113.958 1.095 . . . . 39.96 113.958 179.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 815' ' ' THR . . . . . . . . . . . . . 63.8 m -134.66 135.48 42.1 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 107.28 -1.378 . . . . 32.82 107.28 -178.334 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 816' ' ' LEU . . . . . . . . . . . . . 27.3 tp -91.83 119.71 31.87 Favored 'General case' 0 C--O 1.211 -0.927 0 N-CA-C 108.627 -0.879 . . . . 42.72 108.627 173.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 817' ' ' VAL . . . . . . . . . . . . . 97.0 t -111.99 120.56 62.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 123.675 0.79 . . . . 27.97 112.298 -179.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -98.16 114.66 26.95 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 119.769 -0.772 . . . . 28.78 109.161 177.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 819' ' ' VAL . . . . . . . . . . . . . 87.6 t -102.72 116.14 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 N-CA-C 109.566 -0.531 . . . . 26.06 109.566 -175.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 820' ' ' LYS . . . . . . . . . . . . . 14.2 tttm -66.72 140.0 57.85 Favored 'General case' 0 C--O 1.242 0.677 0 O-C-N 122.388 -0.195 . . . . 49.12 110.982 175.208 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 821' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -79.39 69.94 5.73 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 109.458 -0.571 . . . . 38.18 109.458 177.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 68.4 p -83.24 -18.73 38.16 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 112.876 0.695 . . . . 37.54 112.876 -169.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -126.97 175.66 7.91 Favored 'General case' 0 C--O 1.218 -0.571 0 C-N-CA 123.403 0.681 . . . . 39.81 109.268 -176.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 824' ' ' ALA . . . . . . . . . . . . . . . -75.56 -14.46 60.4 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 114.542 1.312 . . . . 42.66 114.542 -178.349 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 44.9 p -136.8 168.93 18.6 Favored 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 107.964 -1.124 . . . . 42.34 107.964 175.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 826' ' ' LEU . . . . . . . . . . . . . 11.0 tp -74.1 -38.67 63.8 Favored 'General case' 0 N--CA 1.437 -1.085 0 O-C-N 124.329 1.018 . . . . 39.17 108.81 176.774 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 827' ' ' GLY . . . . . . . . . . . . . . . 75.25 39.64 36.04 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.284 -0.871 . . . . 36.0 110.994 176.344 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 828' ' ' ILE . . . . . . . . . . . . . 23.9 pt -128.29 155.22 39.84 Favored 'Isoleucine or valine' 0 C--O 1.244 0.785 0 C-N-CA 120.161 -0.615 . . . . 32.7 109.844 169.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -108.77 138.12 45.61 Favored 'General case' 0 C--O 1.25 1.089 0 N-CA-C 107.752 -1.203 . . . . 28.0 107.752 165.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 830' ' ' ILE . . . . . . . . . . . . . 23.9 pt -125.45 150.88 30.94 Favored 'Isoleucine or valine' 0 C--O 1.251 1.154 0 C-N-CA 120.099 -0.64 . . . . 32.59 110.783 176.188 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 831' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -129.08 141.23 51.28 Favored 'General case' 0 CA--C 1.501 -0.926 0 O-C-N 124.245 0.965 . . . . 56.57 108.673 -179.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 832' ' ' GLY . . . . . . . . . . . . . . . 109.32 -179.48 20.95 Favored Glycine 0 C--O 1.24 0.47 0 C-N-CA 119.36 -1.4 . . . . 28.45 114.282 170.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 833' ' ' GLY . . . . . . . . . . . . . . . 142.33 179.55 19.32 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 107.327 -2.309 . . . . 25.17 107.327 -171.815 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -59.87 140.97 56.25 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.132 0.491 . . . . 35.39 111.73 -167.396 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 3.2 m120 60.42 39.41 18.54 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 114.529 1.307 . . . . 73.67 114.529 179.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 836' ' ' THR . . . . . . . . . . . . . 26.5 p -131.11 168.27 17.72 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 105.331 -2.1 . . . . 46.0 105.331 169.071 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 837' ' ' ARG . . . . . . . . . . . . . . . -62.58 -16.0 54.08 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.581 -0.281 . . . . 43.67 111.565 178.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 838' ' ' GLN . . . . . . . . . . . . . 62.6 tp60 -120.32 86.33 38.3 Favored Pre-proline 0 C--O 1.258 1.549 0 N-CA-C 107.655 -1.239 . . . . 43.4 107.655 177.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 839' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -73.75 -20.62 19.82 Favored 'Trans proline' 0 C--N 1.35 0.654 0 N-CA-C 114.969 1.103 . . . . 29.55 114.969 -163.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 840' ' ' LEU . . . . . 0.526 HD12 HG11 ' A' ' 905' ' ' VAL . 38.8 mt -116.83 144.98 34.46 Favored Pre-proline 0 CA--C 1.512 -0.499 0 N-CA-C 107.079 -1.452 . . . . 38.07 107.079 169.494 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 841' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -64.04 137.84 59.26 Favored 'Trans proline' 0 C--N 1.351 0.664 0 N-CA-C 116.208 1.58 . . . . 27.06 116.208 -173.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 842' ' ' ARG . . . . . . . . . . . . . 1.7 ttt85 -108.7 139.84 42.94 Favored 'General case' 0 CA--C 1.498 -1.031 0 CA-C-N 115.477 -0.783 . . . . 56.5 111.329 178.569 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 73.7 mt -75.5 120.0 24.39 Favored 'Isoleucine or valine' 0 C--N 1.345 0.4 0 C-N-CA 118.218 -1.393 . . . . 24.44 109.683 175.187 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 844' ' ' VAL . . . . . . . . . . . . . 28.0 m -100.81 -23.34 4.42 Favored 'Isoleucine or valine' 0 C--O 1.244 0.765 0 C-N-CA 117.844 -1.542 . . . . 38.04 114.015 -178.342 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 14.6 m -145.69 148.33 32.92 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 122.865 0.466 . . . . 40.1 110.507 176.722 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 846' ' ' ILE . . . . . . . . . . . . . 67.9 mt -126.42 111.92 27.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 106.641 -1.614 . . . . 34.1 106.641 170.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 847' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -81.72 137.45 35.37 Favored 'General case' 0 C--O 1.245 0.855 0 N-CA-C 114.31 1.226 . . . . 63.17 114.31 -178.294 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 848' ' ' ARG . . . . . . . . . . . . . . . -60.82 140.43 57.64 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 107.684 -1.228 . . . . 45.09 107.684 175.801 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 849' ' ' GLY . . . . . . . . . . . . . . . 91.2 -12.16 69.99 Favored Glycine 0 C--O 1.224 -0.524 0 N-CA-C 115.48 0.952 . . . . 45.9 115.48 177.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 850' ' ' GLY . . . . . . . . . . . . . . . -89.0 172.45 40.2 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 119.945 -1.121 . . . . 36.2 111.001 179.039 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 851' ' ' SER . . . . . . . . . . . . . 67.4 m -62.36 -38.39 89.36 Favored 'General case' 0 C--O 1.22 -0.453 0 C-N-CA 120.762 -0.375 . . . . 29.54 111.205 -177.012 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 852' ' ' ALA . . . . . . . . . . . . . . . -67.54 -41.5 84.21 Favored 'General case' 0 C--O 1.262 1.741 0 C-N-CA 119.008 -1.077 . . . . 28.08 111.558 -176.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 853' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -60.95 -38.01 84.38 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 120.287 -0.565 . . . . 54.17 109.534 178.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 854' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -66.93 -33.33 75.35 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 122.492 1.139 . . . . 48.99 111.69 -176.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 855' ' ' CYS . . . . . . . . . . . . . 1.9 t -69.91 -40.55 75.52 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 114.725 -1.125 . . . . 51.47 110.996 -175.456 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . 79.17 -1.91 73.11 Favored Glycine 0 C--O 1.197 -2.174 0 N-CA-C 117.465 1.746 . . . . 43.16 117.465 -179.346 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 857' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -104.32 -12.47 16.59 Favored 'General case' 0 C--O 1.183 -2.429 0 CA-C-N 118.294 1.047 . . . . 81.2 113.813 -175.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 858' ' ' LEU . . . . . . . . . . . . . 20.0 mt -99.25 143.44 29.52 Favored 'General case' 0 C--O 1.179 -2.63 0 N-CA-C 108.227 -1.027 . . . . 30.43 108.227 177.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 859' ' ' LYS . . . . . 0.63 ' NZ ' ' O ' ' A' 1002 ' ' HOH . 51.5 mttp -134.12 156.03 49.02 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.87 0.693 . . . . 62.18 112.87 -177.451 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 860' ' ' VAL . . . . . . . . . . . . . 63.0 t -63.82 130.35 28.58 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.859 0 N-CA-C 108.283 -1.006 . . . . 29.89 108.283 174.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 861' ' ' GLY . . . . . . . . . . . . . . . 102.04 -17.42 54.27 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 116.233 1.253 . . . . 25.35 116.233 -172.731 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 862' ' ' HIS . . . . . . . . . . . . . 2.7 m170 -60.82 139.22 58.01 Favored 'General case' 0 CA--C 1.512 -0.481 0 C-N-CA 118.924 -1.111 . . . . 27.68 110.309 174.13 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 53.4 t -104.76 127.52 59.16 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 N-CA-C 107.695 -1.224 . . . . 24.35 107.695 173.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 864' ' ' ILE . . . . . . . . . . . . . 71.4 mt -88.49 114.39 26.84 Favored 'Isoleucine or valine' 0 C--O 1.242 0.67 0 CA-C-O 121.199 0.523 . . . . 25.19 111.157 -176.512 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 865' ' ' LEU . . . . . 0.465 HD23 HD13 ' A' ' 840' ' ' LEU . 38.2 mt -89.57 -40.34 12.68 Favored 'General case' 0 C--O 1.244 0.795 0 N-CA-C 113.156 0.798 . . . . 28.2 113.156 -177.487 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 866' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -144.23 150.14 37.49 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-N 116.172 -0.467 . . . . 44.04 111.054 -177.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 867' ' ' VAL . . . . . . . . . . . . . 68.9 t -125.53 118.62 52.88 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 N-CA-C 105.746 -1.946 . . . . 26.14 105.746 177.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 868' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 50.48 34.03 8.74 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.801 0.81 . . . . 31.67 112.413 -176.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 88.08 -5.94 84.16 Favored Glycine 0 C--O 1.239 0.447 0 C-N-CA 120.514 -0.851 . . . . 35.47 114.282 176.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 870' ' ' LEU . . . . . . . . . . . . . 37.3 tp -89.25 123.73 33.74 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 117.098 0.449 . . . . 52.33 111.38 176.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 871' ' ' THR . . . . . . . . . . . . . 13.0 t -68.25 142.69 55.53 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 119.077 -1.049 . . . . 36.28 111.322 -179.239 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 872' ' ' LEU . . . . . . . . . . . . . 45.0 mt -94.48 -2.05 52.43 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.582 -0.735 . . . . 29.4 111.589 173.205 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 873' ' ' ARG . . . . . . . . . . . . . 46.2 ttm-85 -64.63 128.97 38.05 Favored 'General case' 0 C--N 1.346 0.432 0 N-CA-C 107.78 -1.193 . . . . 51.15 107.78 178.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . 92.39 -10.64 73.84 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.004 -1.093 . . . . 36.26 112.502 178.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -87.59 128.47 35.26 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 117.91 0.855 . . . . 61.29 109.686 178.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -65.08 158.69 25.1 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.249 -0.648 . . . . 85.48 109.249 175.063 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 877' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -50.04 -47.62 53.22 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.079 0.77 . . . . 30.25 113.079 -176.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 67.9 mtm180 -64.26 -31.31 72.46 Favored 'General case' 0 C--O 1.249 1.038 0 C-N-CA 119.192 -1.003 . . . . 58.09 112.567 -176.453 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 879' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -75.9 -42.81 47.95 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 109.859 -0.423 . . . . 86.41 109.859 -179.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 880' ' ' ALA . . . . . . . . . . . . . . . -58.77 -43.83 90.49 Favored 'General case' 0 C--O 1.244 0.793 0 C-N-CA 119.914 -0.714 . . . . 26.83 111.789 175.113 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 881' ' ' ALA . . . . . . . . . . . . . . . -64.94 -37.79 88.8 Favored 'General case' 0 C--O 1.245 0.834 0 C-N-CA 118.649 -1.221 . . . . 30.19 110.45 -178.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 882' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -68.01 -33.25 74.25 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 119.496 -0.881 . . . . 81.55 110.99 -178.648 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 883' ' ' ILE . . . . . . . . . . . . . 45.9 mt -64.56 -41.86 93.5 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.85 0 C-N-CA 119.593 -0.843 . . . . 37.15 109.607 178.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 884' ' ' ILE . . . . . . . . . . . . . 88.9 mt -70.04 -43.29 79.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 CA-C-O 122.251 1.024 . . . . 26.09 110.658 -177.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -58.6 -42.01 87.13 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 121.43 -0.794 . . . . 34.11 112.878 176.108 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -70.23 -36.19 74.36 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.675 -0.41 . . . . 75.75 110.633 -179.138 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 887' ' ' ALA . . . . . . . . . . . . . . . -62.47 -33.14 74.25 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.312 -0.404 . . . . 29.62 111.725 173.522 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 888' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -75.79 -37.89 58.77 Favored 'General case' 0 C--O 1.25 1.098 0 C-N-CA 119.966 -0.694 . . . . 38.67 111.048 178.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 889' ' ' LYS . . . . . . . . . . . . . 37.7 mttm -74.28 -28.32 61.15 Favored 'General case' 0 C--O 1.248 0.988 0 CA-C-N 115.456 -0.793 . . . . 68.25 111.866 -173.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 890' ' ' THR . . . . . . . . . . . . . 13.9 t -63.06 147.32 51.09 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 118.234 -1.386 . . . . 36.01 113.338 -170.402 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 891' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -96.71 3.67 52.27 Favored 'General case' 0 C--O 1.185 -2.318 0 N-CA-C 112.052 0.389 . . . . 83.41 112.052 178.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 892' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -64.27 -28.02 69.44 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 113.518 0.932 . . . . 56.97 113.518 179.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 7.7 ptp85 -156.03 167.32 30.79 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.246 -0.433 . . . . 39.47 110.076 -178.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 894' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -108.72 23.6 14.3 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 118.952 -1.099 . . . . 47.18 112.429 -174.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 895' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -146.66 168.44 21.3 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 109.202 -0.666 . . . . 31.49 109.202 179.298 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 896' ' ' ILE . . . . . . . . . . . . . 53.5 mt -124.82 133.83 68.43 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.568 0 O-C-N 124.582 1.176 . . . . 29.75 108.444 165.305 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 897' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -91.29 122.9 34.31 Favored 'General case' 0 C--O 1.222 -0.361 0 O-C-N 123.57 0.544 . . . . 32.06 110.253 174.525 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 898' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -114.79 127.26 55.63 Favored 'General case' 0 CA--C 1.497 -1.078 0 CA-C-O 118.421 -0.799 . . . . 25.46 109.287 175.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 899' ' ' LEU . . . . . . . . . . . . . 32.1 tp -91.66 121.33 33.22 Favored 'General case' 0 CA--C 1.504 -0.804 0 N-CA-C 105.56 -2.015 . . . . 27.32 105.56 169.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 900' ' ' VAL . . . . . . . . . . . . . 32.7 m -126.21 163.35 28.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 C-N-CA 119.558 -0.857 . . . . 23.83 110.842 -174.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 901' ' ' THR . . . . . . . . . . . . . 8.9 t -134.8 151.21 50.76 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 107.566 -1.272 . . . . 24.81 107.566 175.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 902' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -91.89 -8.82 45.33 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 120.262 -0.575 . . . . 57.21 109.832 175.342 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 903' ' ' PHE . . . . . . . . . . . . . 10.4 m-30 -70.53 155.66 40.43 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 121.381 0.61 . . . . 41.35 110.28 177.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 904' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -73.28 147.71 44.29 Favored 'General case' 0 C--O 1.242 0.699 0 N-CA-C 108.013 -1.106 . . . . 51.68 108.013 167.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 905' ' ' VAL . . . . . 0.526 HG11 HD12 ' A' ' 840' ' ' LEU . 61.0 t -122.79 118.3 54.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 105.144 -2.169 . . . . 31.67 105.144 175.632 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 906' ' ' MET . . . . . . . . . . . . . 82.6 mtp -115.56 -10.61 11.86 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 114.762 1.393 . . . . 66.37 114.762 -175.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 42.0 mt . . . . . 0 C--O 1.203 -1.388 0 N-CA-C 106.125 -1.806 . . . . 42.25 106.125 175.322 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 3500 ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.223 0 CA-C-O 120.839 0.352 . . . . 62.5 111.415 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 3501 ' ' LEU . . . . . . . . . . . . . 26.7 mt -99.97 47.14 0.95 Allowed 'General case' 0 C--O 1.239 0.506 0 CA-C-O 120.87 0.367 . . . . 50.64 110.076 173.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 3502 ' ' THR . . . . . . . . . . . . . 65.3 p -131.99 131.55 42.67 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 115.719 -0.673 . . . . 37.63 110.067 -177.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 3503 ' ' LEU . . . . . . . . . . . . . 85.0 mt -81.27 151.38 69.39 Favored Pre-proline 0 N--CA 1.477 0.895 0 C-N-CA 120.425 -0.51 . . . . 36.74 111.753 174.273 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 3504 ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -67.48 164.17 31.93 Favored 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 120.728 0.952 . . . . 34.05 109.825 168.782 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 3505 ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -48.66 132.93 26.35 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 O-C-N 122.692 0.838 . . . . 39.36 110.324 164.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 3506 ' ' SER . . . . . . . . . . . . . 32.5 t -83.4 149.4 26.71 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 116.277 -2.169 . . . . 39.95 110.301 -176.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 3507 ' ' GLU . . . . . . . . . . . . . . . -104.85 9.22 34.87 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-N 115.53 -0.759 . . . . 40.81 109.445 -179.915 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 3508 ' ' ILE . . . . . . . . . . . . . 81.8 mt -131.82 134.8 59.74 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.757 0 CA-C-N 114.98 -1.009 . . . . 40.97 109.591 178.22 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 3509 ' ' THR . . . . . . . . . . . . . 94.9 m -129.41 135.34 48.56 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 123.781 0.676 . . . . 27.86 111.594 -178.081 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 3510 ' ' LEU . . . . . . . . . . . . . 29.4 mt -90.06 125.23 35.34 Favored 'General case' 0 C--O 1.206 -1.199 0 C-N-CA 123.942 0.897 . . . . 30.0 108.58 175.543 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 3511 ' ' LEU . . . . . . . . . . . . . 15.1 mt . . . . . 0 C--O 1.192 -1.951 0 O-C-N 124.726 1.266 . . . . 36.32 109.302 179.235 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1001 ' ' HOH . . . . . 0.897 ' O ' ' O ' ' A' ' 813' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1002 ' ' HOH . . . . . 0.63 ' O ' ' NZ ' ' A' ' 859' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1013 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1018 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1019 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1020 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1021 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1022 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1023 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1024 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1025 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1026 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1027 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1028 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1029 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1030 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1031 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1032 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1033 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1034 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1035 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1036 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1037 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1038 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1039 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1040 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1041 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1042 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1043 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1044 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1045 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1046 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1047 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 3601 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 3602 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 3603 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 3604 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 3605 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 3606 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_