data_1xw7_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1xw7 _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.229 0 N-CA-C 117.597 1.799 . . . . 40.01 117.597 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.1 tt -61.76 -29.3 45.95 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 N-CA-C 114.165 1.172 . . . . 42.97 114.165 -179.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.06 -44.21 73.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.838 -0.539 . . . . 40.35 111.469 -179.585 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.6 mp0 -68.9 -43.6 74.91 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 120.663 -0.415 . . . . 51.16 110.196 179.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLN . . . . . 0.608 ' NE2' ' OH ' ' A' ' 19' ' ' TYR . 7.5 tt0 -69.68 -37.53 76.7 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 114.976 1.473 . . . . 42.98 114.976 -178.917 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 71.2 m -110.18 -2.34 16.92 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 116.149 1.907 . . . . 42.14 116.149 -172.677 -62.619 -50.504 -87.664 104.929 2.021 103.061 154.086 -81.736 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.4 m -104.57 -18.2 14.43 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 108.893 -0.78 . . . . 43.72 108.893 178.171 -67.789 -61.89 -91.05 104.23 2.028 104.212 -128.416 167.157 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.3 m -74.59 -46.28 39.68 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 107.605 -1.257 . . . . 46.84 107.605 179.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.1 t -142.5 167.94 20.91 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 106.0 -1.852 . . . . 46.74 106.0 178.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.0 mt -72.36 136.13 26.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 116.088 1.885 . . . . 40.81 116.088 -177.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.2 m -96.78 138.67 33.99 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 107.602 -1.258 . . . . 39.8 107.602 176.284 -81.736 154.086 -87.664 103.061 2.021 104.929 -50.504 -62.619 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.0 p -80.45 170.88 15.78 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.431 -0.952 . . . . 40.84 108.431 179.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.9 mt -63.54 -32.31 73.72 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 108.391 -0.966 . . . . 47.24 108.391 179.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -68.98 -39.08 79.62 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.415 -0.811 . . . . 65.79 109.611 -179.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -68.53 -40.02 80.94 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 119.994 -0.683 . . . . 41.8 110.449 178.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.3 mt -64.07 -38.92 92.8 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 109.742 -0.466 . . . . 40.04 109.742 179.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -50.39 -38.62 43.7 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.57 -0.741 . . . . 49.7 111.547 179.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 113' ' ' HOH . 10.1 m120 -69.97 -2.59 12.98 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 114.151 1.167 . . . . 52.9 114.151 -178.715 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' TYR . . . . . 0.608 ' OH ' ' NE2' ' A' ' 5' ' ' GLN . 27.0 m-85 -101.87 -9.72 20.48 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.592 -0.521 . . . . 38.78 109.592 178.374 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.8 m -78.36 155.78 29.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.823 -0.626 . . . . 40.4 112.223 179.258 -63.179 -53.015 -82.001 103.569 2.019 103.978 -46.008 -53.816 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.7 m120 . . . . . 0 C--O 1.248 1.011 0 N-CA-C 104.598 -2.371 . . . . 42.48 104.598 177.457 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 31.3 t80 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 108.383 -0.969 . . . . 56.26 108.383 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.4 m -111.97 43.35 0.33 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.412 0 N-CA-C 113.771 1.026 . . . . 47.86 113.771 -178.553 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -45.35 -53.54 8.42 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.485 0.92 . . . . 54.76 113.485 -179.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -60.31 -41.32 93.23 Favored 'General case' 0 CA--C 1.506 -0.72 0 N-CA-C 114.786 1.402 . . . . 42.7 114.786 -178.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -67.82 -39.96 83.88 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 116.074 -0.512 . . . . 38.11 111.058 -179.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 51.4 mt -70.55 -44.03 68.3 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.27 -0.641 . . . . 31.3 109.27 -179.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 8.8 t -57.68 -48.8 78.52 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-N 116.359 -0.382 . . . . 32.92 111.002 178.994 167.157 -128.416 -91.05 104.212 2.028 104.23 -61.89 -67.789 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.09 -33.62 45.17 Favored Glycine 0 C--N 1.335 0.518 0 N-CA-C 114.403 0.521 . . . . 34.03 114.403 179.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 46.3 t -62.5 -46.36 88.78 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.204 -1.036 . . . . 32.8 108.204 178.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -67.57 -33.55 75.24 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.886 -0.597 . . . . 37.21 111.916 179.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.6 mt -60.44 -50.75 72.34 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.584 0.587 . . . . 36.44 112.584 178.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 34.2 m -66.48 -27.46 40.39 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 C-N-CA 119.646 -0.822 . . . . 33.76 112.014 -178.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -71.69 -34.09 69.36 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 106.667 -1.605 . . . . 53.06 106.667 178.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.77 -41.17 65.34 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 108.875 -0.787 . . . . 33.98 108.875 178.773 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 56.5 mt -62.75 -43.16 99.54 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.44 -0.948 . . . . 33.01 108.44 178.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -54.4 -40.87 68.65 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.186 -0.606 . . . . 35.12 109.657 178.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 52.6 tp -73.18 -47.61 42.24 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 114.25 1.204 . . . . 43.89 114.25 -178.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 57.5 t -73.03 -39.93 58.21 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.547 0 N-CA-C 114.474 1.287 . . . . 38.11 114.474 -178.692 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 56.2 m -78.63 -22.44 46.9 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 117.142 2.275 . . . . 37.98 117.142 -177.91 -53.816 -46.008 -82.001 103.978 2.019 103.569 -53.015 -63.179 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 52.37 -138.44 32.27 Favored Glycine 0 CA--C 1.52 0.348 0 N-CA-C 117.742 1.857 . . . . 42.77 117.742 178.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -61.32 -21.18 63.75 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 113.737 1.014 . . . . 64.32 113.737 -179.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -67.64 -29.6 68.95 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.999 -0.28 . . . . 46.79 111.698 179.182 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.98 -173.12 55.19 Favored Glycine 0 C--O 1.241 0.58 0 C-N-CA 119.473 -1.346 . . . . 36.09 111.011 -179.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -167.56 162.14 14.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.355 0.598 . . . . 36.86 110.839 -178.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -108.09 139.91 42.06 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 104.33 -2.47 . . . . 43.05 104.33 177.122 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -119.94 108.94 14.94 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 106.033 -1.84 . . . . 37.47 106.033 177.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' THR . . . . . 0.445 ' O ' ' N ' ' B' ' 29' ' ' LYS . 30.0 p -128.4 92.19 41.8 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 46.19 109.75 -179.123 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -63.71 77.37 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 120.415 0.743 . . . . 57.86 111.214 179.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' B' ' 27' ' ' THR . 47.3 pttt -115.34 116.08 27.69 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.077 -0.51 . . . . 71.03 111.773 -179.063 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 71.6 p . . . . . 0 C--O 1.252 1.193 0 N-CA-C 114.858 1.429 . . . . 77.4 114.858 -179.453 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.387 0 CA-C-O 120.811 0.117 . . . . 61.14 113.126 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 21.3 tt -63.32 -27.9 43.98 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 N-CA-C 111.912 0.338 . . . . 57.99 111.912 -179.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 95.2 mt -73.9 -34.96 64.6 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.165 -0.68 . . . . 56.55 109.165 179.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -72.79 -31.03 64.56 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.059 0.392 . . . . 62.58 112.059 179.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' GLN . . . . . 0.593 ' NE2' ' O ' ' C' ' 210' ' ' HOH . 8.1 tt0 -93.22 -23.08 18.66 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 114.705 1.372 . . . . 63.71 114.705 -179.36 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 54.3 m -121.5 -1.03 9.65 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 117.47 2.396 . . . . 56.6 117.47 -177.797 -53.42 -54.243 -88.979 102.797 2.024 103.679 151.155 -72.101 1 1 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 55.8 m -109.39 8.83 25.61 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 119.154 -1.018 . . . . 62.58 112.629 179.115 -75.398 -61.805 -93.417 103.177 2.029 103.638 -122.169 178.016 1 1 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 46.4 p -115.35 -41.01 3.34 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 106.553 -1.647 . . . . 70.66 106.553 178.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 5.2 t -134.41 142.71 47.24 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 104.815 -2.291 . . . . 70.76 104.815 179.339 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 12.7 tt -68.83 125.97 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 115.153 1.538 . . . . 68.5 115.153 -178.324 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 68.0 m -87.56 143.69 27.07 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 115.986 -0.552 . . . . 58.82 111.882 179.556 -72.101 151.155 -88.979 103.679 2.024 102.797 -54.243 -53.42 1 1 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 76.6 p -75.54 165.21 25.45 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.162 -1.051 . . . . 53.94 108.162 178.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 4.3 mt -65.7 -22.59 66.63 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.174 -0.676 . . . . 57.09 109.174 179.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -78.83 -31.6 45.86 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.736 -0.468 . . . . 77.65 109.736 178.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -75.19 -30.22 60.6 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.189 -0.604 . . . . 66.57 109.573 179.122 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 70.9 mt -73.78 -24.99 59.92 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-O 120.709 0.29 . . . . 55.59 110.808 179.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -59.72 -21.73 61.06 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 114.335 1.235 . . . . 67.44 114.335 -179.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' C' ' 201' ' ' HOH . 4.7 m120 -72.67 -2.78 21.47 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 112.416 0.525 . . . . 59.85 112.416 179.307 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -105.5 -2.15 24.0 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 116.217 -0.447 . . . . 49.53 110.505 -179.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 85.1 m -72.05 157.89 36.96 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 105.203 -2.147 . . . . 46.88 105.203 177.773 -64.447 -39.941 -87.896 103.731 2.032 101.375 -53.803 -62.421 1 1 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 11.9 m120 . . . . . 0 C--O 1.25 1.112 0 C-N-CA 120.09 -0.644 . . . . 51.8 110.54 179.625 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.495 1.777 0 N-CA-C 112.735 0.643 . . . . 78.94 112.735 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 2' ' ' VAL . . . . . . . . . . . . . 24.7 m -86.55 45.4 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.223 -0.307 0 CA-C-N 115.723 -0.671 . . . . 68.22 110.404 -179.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -59.88 -41.74 92.22 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 114.111 1.152 . . . . 68.52 114.111 -178.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -60.74 -35.64 76.89 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.4 0.619 . . . . 60.03 109.862 179.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -68.85 -45.17 71.8 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.464 -0.789 . . . . 56.79 109.606 178.512 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 44.5 mt -66.6 -38.83 87.81 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 109.292 -0.633 . . . . 43.83 109.292 -179.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 42.0 t -61.63 -50.9 70.7 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 119.805 -0.758 . . . . 47.22 109.952 179.91 178.016 -122.169 -93.417 103.638 2.029 103.177 -61.805 -75.398 1 1 . 1 . 001 ecloud orig full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.23 -38.67 33.6 Favored Glycine 0 C--O 1.225 -0.428 0 C-N-CA 120.412 -0.899 . . . . 39.1 113.529 179.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 3.0 t -60.45 -37.61 81.51 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 122.179 0.99 . . . . 37.96 111.705 -179.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -73.93 -36.76 64.71 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-N 115.483 -0.781 . . . . 38.57 110.781 -179.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 11' ' ' LEU . . . . . . . . . . . . . 34.0 mt -58.8 -47.1 85.94 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.287 -0.869 . . . . 44.99 111.343 179.007 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 53.9 t -63.27 -39.9 87.03 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.461 0 CA-C-N 116.143 -0.48 . . . . 38.31 110.332 179.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -62.37 -42.09 99.13 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.266 -1.013 . . . . 61.08 108.266 178.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.4 -48.78 71.68 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 111.873 0.323 . . . . 37.86 111.873 179.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 96.0 mt -57.02 -35.81 69.71 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 107.789 -1.189 . . . . 33.98 107.789 179.319 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 16' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -58.23 -52.35 65.96 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.436 -0.802 . . . . 33.73 111.817 179.377 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 17.8 tp -66.58 -47.25 73.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.517 0.675 . . . . 38.97 112.053 179.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 68.2 t -65.04 -47.79 86.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 115.822 1.786 . . . . 39.24 115.822 -177.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 71.0 m -71.49 -18.19 62.3 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 117.486 2.402 . . . . 36.6 117.486 -177.363 -62.421 -53.803 -87.896 101.375 2.032 103.731 -39.941 -64.447 1 1 . 1 . 001 ecloud orig full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 48.84 -133.51 22.55 Favored Glycine 0 CA--C 1.521 0.466 0 C-N-CA 120.296 -0.954 . . . . 42.89 115.066 179.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -64.19 -18.49 64.54 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 113.95 1.093 . . . . 58.88 113.95 -178.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 80.6 mtm180 -69.0 -28.13 66.31 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.445 -0.343 . . . . 54.72 111.741 -179.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.59 176.82 16.43 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 106.359 -2.697 . . . . 42.7 106.359 -177.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 24' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -143.5 179.19 7.26 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.125 -0.63 . . . . 37.83 112.149 -178.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 25' ' ' PHE . . . . . 0.444 ' CD1' ' O ' ' D' ' 25' ' ' PHE . 30.9 p90 -128.49 122.85 32.14 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 106.838 -1.542 . . . . 49.56 106.838 177.468 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -109.36 103.68 12.66 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 106.14 -1.8 . . . . 41.84 106.14 179.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -131.23 80.54 68.1 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.344 -0.844 . . . . 54.06 109.615 -179.784 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 28' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -55.94 -5.22 0.81 Allowed 'Trans proline' 0 C--N 1.345 0.351 1 C-N-CA 126.304 4.669 . . . . 58.75 115.692 -179.778 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 34.1 mtpt -132.61 60.39 1.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.647 0.98 . . . . 69.95 113.647 179.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 74.7 p . . . . . 0 C--O 1.251 1.177 0 CA-C-O 118.001 -0.999 . . . . 75.98 109.35 178.714 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' IPH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 200' ' ' IPH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 202' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . 0.413 ' O ' ' ND2' ' A' ' 18' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 201' ' ' HOH . . . . . 0.429 ' O ' ' ND2' ' C' ' 18' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 210' ' ' HOH . . . . . 0.593 ' O ' ' NE2' ' C' ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . 0.419 ' HA3' ' O ' ' B' ' 29' ' ' LYS . . . . . . . . 0 C--O 1.236 0.229 0 N-CA-C 117.597 1.799 . . . . 40.01 117.597 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.1 tt -61.76 -29.3 45.95 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 N-CA-C 114.165 1.172 . . . . 42.97 114.165 -179.263 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LEU . . . . . 0.534 ' HB2' ' O ' ' A' ' 105' ' ' HOH . 0.2 OUTLIER -69.06 -44.21 73.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.838 -0.539 . . . . 40.35 111.469 -179.585 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.6 mp0 -68.9 -43.6 74.91 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 120.663 -0.415 . . . . 51.16 110.196 179.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -69.68 -37.53 76.7 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 114.976 1.473 . . . . 42.98 114.976 -178.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 71.2 m -110.18 -2.34 16.92 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 116.149 1.907 . . . . 42.14 116.149 -172.677 -62.619 -50.504 -87.664 104.929 2.021 103.061 154.086 -81.736 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.4 m -104.57 -18.2 14.43 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 108.893 -0.78 . . . . 43.72 108.893 178.171 -67.789 -61.89 -91.05 104.23 2.028 104.212 -128.416 167.157 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.3 m -74.59 -46.28 39.68 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 107.605 -1.257 . . . . 46.84 107.605 179.132 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.1 t -142.5 167.94 20.91 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 106.0 -1.852 . . . . 46.74 106.0 178.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ILE . . . . . 0.54 ' HB ' ' O ' ' A' ' 116' ' ' HOH . 32.0 mt -72.36 136.13 26.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 116.088 1.885 . . . . 40.81 116.088 -177.7 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' CYS . . . . . 0.406 ' HA ' ' OE1' ' A' ' 15' ' ' GLN . 16.2 m -96.78 138.67 33.99 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 107.602 -1.258 . . . . 39.8 107.602 176.284 -81.736 154.086 -87.664 103.061 2.021 104.929 -50.504 -62.619 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.0 p -80.45 170.88 15.78 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.431 -0.952 . . . . 40.84 108.431 179.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.9 mt -63.54 -32.31 73.72 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 108.391 -0.966 . . . . 47.24 108.391 179.766 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -68.98 -39.08 79.62 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.415 -0.811 . . . . 65.79 109.611 -179.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLN . . . . . 0.406 ' OE1' ' HA ' ' A' ' 11' ' ' CYS . 85.8 mt-30 -68.53 -40.02 80.94 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 119.994 -0.683 . . . . 41.8 110.449 178.05 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.3 mt -64.07 -38.92 92.8 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 109.742 -0.466 . . . . 40.04 109.742 179.442 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -50.39 -38.62 43.7 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.57 -0.741 . . . . 49.7 111.547 179.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 113' ' ' HOH . 10.1 m120 -69.97 -2.59 12.98 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 114.151 1.167 . . . . 52.9 114.151 -178.715 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -101.87 -9.72 20.48 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.592 -0.521 . . . . 38.78 109.592 178.374 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.8 m -78.36 155.78 29.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.823 -0.626 . . . . 40.4 112.223 179.258 -63.179 -53.015 -82.001 103.569 2.019 103.978 -46.008 -53.816 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 . . . . . 0 C--O 1.248 1.011 0 N-CA-C 104.598 -2.371 . . . . 42.48 104.598 177.457 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 31.3 t80 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 108.383 -0.969 . . . . 56.26 108.383 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.4 m -111.97 43.35 0.33 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.412 0 N-CA-C 113.771 1.026 . . . . 47.86 113.771 -178.553 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -45.35 -53.54 8.42 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.485 0.92 . . . . 54.76 113.485 -179.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -60.31 -41.32 93.23 Favored 'General case' 0 CA--C 1.506 -0.72 0 N-CA-C 114.786 1.402 . . . . 42.7 114.786 -178.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -67.82 -39.96 83.88 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 116.074 -0.512 . . . . 38.11 111.058 -179.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 51.4 mt -70.55 -44.03 68.3 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.27 -0.641 . . . . 31.3 109.27 -179.659 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 8.8 t -57.68 -48.8 78.52 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-N 116.359 -0.382 . . . . 32.92 111.002 178.994 167.157 -128.416 -91.05 104.212 2.028 104.23 -61.89 -67.789 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.09 -33.62 45.17 Favored Glycine 0 C--N 1.335 0.518 0 N-CA-C 114.403 0.521 . . . . 34.03 114.403 179.571 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 46.3 t -62.5 -46.36 88.78 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.204 -1.036 . . . . 32.8 108.204 178.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -67.57 -33.55 75.24 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.886 -0.597 . . . . 37.21 111.916 179.487 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.6 mt -60.44 -50.75 72.34 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.584 0.587 . . . . 36.44 112.584 178.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 34.2 m -66.48 -27.46 40.39 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 C-N-CA 119.646 -0.822 . . . . 33.76 112.014 -178.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -71.69 -34.09 69.36 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 106.667 -1.605 . . . . 53.06 106.667 178.603 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.77 -41.17 65.34 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 108.875 -0.787 . . . . 33.98 108.875 178.773 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 56.5 mt -62.75 -43.16 99.54 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.44 -0.948 . . . . 33.01 108.44 178.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -54.4 -40.87 68.65 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.186 -0.606 . . . . 35.12 109.657 178.766 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 52.6 tp -73.18 -47.61 42.24 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 114.25 1.204 . . . . 43.89 114.25 -178.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 57.5 t -73.03 -39.93 58.21 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.547 0 N-CA-C 114.474 1.287 . . . . 38.11 114.474 -178.692 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 56.2 m -78.63 -22.44 46.9 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 117.142 2.275 . . . . 37.98 117.142 -177.91 -53.816 -46.008 -82.001 103.978 2.019 103.569 -53.015 -63.179 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 52.37 -138.44 32.27 Favored Glycine 0 CA--C 1.52 0.348 0 N-CA-C 117.742 1.857 . . . . 42.77 117.742 178.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -61.32 -21.18 63.75 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 113.737 1.014 . . . . 64.32 113.737 -179.653 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ARG . . . . . 0.599 ' HD2' ' O ' ' B' ' 113' ' ' HOH . 83.2 mtm180 -67.64 -29.6 68.95 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.999 -0.28 . . . . 46.79 111.698 179.182 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.98 -173.12 55.19 Favored Glycine 0 C--O 1.241 0.58 0 C-N-CA 119.473 -1.346 . . . . 36.09 111.011 -179.427 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -167.56 162.14 14.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.355 0.598 . . . . 36.86 110.839 -178.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -108.09 139.91 42.06 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 104.33 -2.47 . . . . 43.05 104.33 177.122 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -119.94 108.94 14.94 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 106.033 -1.84 . . . . 37.47 106.033 177.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' THR . . . . . 0.445 ' O ' ' N ' ' B' ' 29' ' ' LYS . 30.0 p -128.4 92.19 41.8 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 46.19 109.75 -179.123 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -63.71 77.37 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 120.415 0.743 . . . . 57.86 111.214 179.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' B' ' 27' ' ' THR . 47.3 pttt -115.34 116.08 27.69 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.077 -0.51 . . . . 71.03 111.773 -179.063 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 30' ' ' THR . . . . . 0.455 HG23 ' O ' ' B' ' 111' ' ' HOH . 71.6 p . . . . . 0 C--O 1.252 1.193 0 N-CA-C 114.858 1.429 . . . . 77.4 114.858 -179.453 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 1' ' ' GLY . . . . . 0.433 ' HA3' ' O ' ' C' ' 205' ' ' HOH . . . . . . . . 0 N--CA 1.492 2.387 0 CA-C-O 120.811 0.117 . . . . 61.14 113.126 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 21.3 tt -63.32 -27.9 43.98 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 N-CA-C 111.912 0.338 . . . . 57.99 111.912 -179.503 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 3' ' ' LEU . . . . . 0.467 ' O ' ' HB2' ' C' ' 7' ' ' CYS . 95.2 mt -73.9 -34.96 64.6 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.165 -0.68 . . . . 56.55 109.165 179.128 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -72.79 -31.03 64.56 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.059 0.392 . . . . 62.58 112.059 179.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' GLN . . . . . 0.593 ' NE2' ' O ' ' C' ' 210' ' ' HOH . 8.1 tt0 -93.22 -23.08 18.66 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 114.705 1.372 . . . . 63.71 114.705 -179.36 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 54.3 m -121.5 -1.03 9.65 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 117.47 2.396 . . . . 56.6 117.47 -177.797 -53.42 -54.243 -88.979 102.797 2.024 103.679 151.155 -72.101 1 1 . 1 . 001 ecloud build full ' C' C ' 7' ' ' CYS . . . . . 0.524 ' SG ' HD11 ' D' ' 11' ' ' LEU . 55.8 m -109.39 8.83 25.61 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 119.154 -1.018 . . . . 62.58 112.629 179.115 -75.398 -61.805 -93.417 103.177 2.029 103.638 -122.169 178.016 2 2 . 1 . 001 ecloud build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 46.4 p -115.35 -41.01 3.34 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 106.553 -1.647 . . . . 70.66 106.553 178.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 5.2 t -134.41 142.71 47.24 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 104.815 -2.291 . . . . 70.76 104.815 179.339 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 12.7 tt -68.83 125.97 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 115.153 1.538 . . . . 68.5 115.153 -178.324 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 68.0 m -87.56 143.69 27.07 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 115.986 -0.552 . . . . 58.82 111.882 179.556 -72.101 151.155 -88.979 103.679 2.024 102.797 -54.243 -53.42 1 1 . 1 . 001 ecloud build full ' C' C ' 12' ' ' SER . . . . . 0.776 ' OG ' ' HG3' ' C' ' 15' ' ' GLN . 76.6 p -75.54 165.21 25.45 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.162 -1.051 . . . . 53.94 108.162 178.836 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 13' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' C' ' 219' ' ' HOH . 4.3 mt -65.7 -22.59 66.63 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.174 -0.676 . . . . 57.09 109.174 179.464 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -78.83 -31.6 45.86 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.736 -0.468 . . . . 77.65 109.736 178.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 15' ' ' GLN . . . . . 0.776 ' HG3' ' OG ' ' C' ' 12' ' ' SER . 74.4 mt-30 -75.19 -30.22 60.6 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.189 -0.604 . . . . 66.57 109.573 179.122 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 70.9 mt -73.78 -24.99 59.92 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-O 120.709 0.29 . . . . 55.59 110.808 179.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -59.72 -21.73 61.06 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 114.335 1.235 . . . . 67.44 114.335 -179.775 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -72.67 -2.78 21.47 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 112.416 0.525 . . . . 59.85 112.416 179.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -105.5 -2.15 24.0 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 116.217 -0.447 . . . . 49.53 110.505 -179.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 85.1 m -72.05 157.89 36.96 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 105.203 -2.147 . . . . 46.88 105.203 177.773 -64.447 -39.941 -87.896 103.731 2.032 101.375 -53.803 -62.421 1 1 . 1 . 001 ecloud build full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 . . . . . 0 C--O 1.25 1.112 0 C-N-CA 120.09 -0.644 . . . . 51.8 110.54 179.625 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.495 1.777 0 N-CA-C 112.735 0.643 . . . . 78.94 112.735 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 2' ' ' VAL . . . . . 0.416 HG23 ' O ' ' D' ' 2' ' ' VAL . 24.7 m -86.55 45.4 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.223 -0.307 0 CA-C-N 115.723 -0.671 . . . . 68.22 110.404 -179.765 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -59.88 -41.74 92.22 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 114.111 1.152 . . . . 68.52 114.111 -178.603 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -60.74 -35.64 76.89 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.4 0.619 . . . . 60.03 109.862 179.34 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -68.85 -45.17 71.8 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.464 -0.789 . . . . 56.79 109.606 178.512 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 6' ' ' LEU . . . . . 0.493 ' O ' ' HD2' ' D' ' 10' ' ' HIS . 44.5 mt -66.6 -38.83 87.81 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 109.292 -0.633 . . . . 43.83 109.292 -179.908 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 42.0 t -61.63 -50.9 70.7 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 119.805 -0.758 . . . . 47.22 109.952 179.91 178.016 -122.169 -93.417 103.638 2.029 103.177 -61.805 -75.398 1 1 . 1 . 001 ecloud build full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.23 -38.67 33.6 Favored Glycine 0 C--O 1.225 -0.428 0 C-N-CA 120.412 -0.899 . . . . 39.1 113.529 179.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 3.0 t -60.45 -37.61 81.51 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 122.179 0.99 . . . . 37.96 111.705 -179.75 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 10' ' ' HIS . . . . . 0.493 ' HD2' ' O ' ' D' ' 6' ' ' LEU . 72.0 m-70 -73.93 -36.76 64.71 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-N 115.483 -0.781 . . . . 38.57 110.781 -179.769 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 11' ' ' LEU . . . . . 0.524 HD11 ' SG ' ' C' ' 7' ' ' CYS . 34.0 mt -58.8 -47.1 85.94 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.287 -0.869 . . . . 44.99 111.343 179.007 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 12' ' ' VAL . . . . . 0.411 HG13 ' CZ ' ' D' ' 24' ' ' PHE . 53.9 t -63.27 -39.9 87.03 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.461 0 CA-C-N 116.143 -0.48 . . . . 38.31 110.332 179.381 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 13' ' ' GLU . . . . . 0.575 ' HG3' ' O ' ' B' ' 105' ' ' HOH . 6.8 tt0 -62.37 -42.09 99.13 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.266 -1.013 . . . . 61.08 108.266 178.969 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.4 -48.78 71.68 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 111.873 0.323 . . . . 37.86 111.873 179.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 96.0 mt -57.02 -35.81 69.71 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 107.789 -1.189 . . . . 33.98 107.789 179.319 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 16' ' ' TYR . . . . . 0.439 ' HB3' ' O ' ' D' ' 13' ' ' GLU . 87.1 t80 -58.23 -52.35 65.96 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.436 -0.802 . . . . 33.73 111.817 179.377 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 17.8 tp -66.58 -47.25 73.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.517 0.675 . . . . 38.97 112.053 179.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 68.2 t -65.04 -47.79 86.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 115.822 1.786 . . . . 39.24 115.822 -177.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 71.0 m -71.49 -18.19 62.3 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 117.486 2.402 . . . . 36.6 117.486 -177.363 -62.421 -53.803 -87.896 101.375 2.032 103.731 -39.941 -64.447 1 1 . 1 . 001 ecloud build full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 48.84 -133.51 22.55 Favored Glycine 0 CA--C 1.521 0.466 0 C-N-CA 120.296 -0.954 . . . . 42.89 115.066 179.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -64.19 -18.49 64.54 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 113.95 1.093 . . . . 58.88 113.95 -178.828 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 80.6 mtm180 -69.0 -28.13 66.31 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.445 -0.343 . . . . 54.72 111.741 -179.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.59 176.82 16.43 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 106.359 -2.697 . . . . 42.7 106.359 -177.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 24' ' ' PHE . . . . . 0.411 ' CZ ' HG13 ' D' ' 12' ' ' VAL . 42.0 p90 -143.5 179.19 7.26 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.125 -0.63 . . . . 37.83 112.149 -178.265 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 25' ' ' PHE . . . . . 0.444 ' CD1' ' O ' ' D' ' 25' ' ' PHE . 30.9 p90 -128.49 122.85 32.14 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 106.838 -1.542 . . . . 49.56 106.838 177.468 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -109.36 103.68 12.66 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 106.14 -1.8 . . . . 41.84 106.14 179.282 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 27' ' ' THR . . . . . 0.431 ' O ' HG23 ' D' ' 30' ' ' THR . 0.4 OUTLIER -131.23 80.54 68.1 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.344 -0.844 . . . . 54.06 109.615 -179.784 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 28' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -55.94 -5.22 0.81 Allowed 'Trans proline' 0 C--N 1.345 0.351 1 C-N-CA 126.304 4.669 . . . . 58.75 115.692 -179.778 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 34.1 mtpt -132.61 60.39 1.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.647 0.98 . . . . 69.95 113.647 179.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 30' ' ' THR . . . . . 0.575 HG21 ' O ' ' D' ' 224' ' ' HOH . 74.7 p . . . . . 0 C--O 1.251 1.177 0 CA-C-O 118.001 -0.999 . . . . 75.98 109.35 178.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' IPH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 200' ' ' IPH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 202' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . 0.51 ' O ' HG13 ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . 0.534 ' O ' ' HB2' ' A' ' 3' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . 0.413 ' O ' ' ND2' ' A' ' 18' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . 0.54 ' O ' ' HB ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 105' ' ' HOH . . . . . 0.575 ' O ' ' HG3' ' D' ' 13' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 111' ' ' HOH . . . . . 0.455 ' O ' HG23 ' B' ' 30' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 113' ' ' HOH . . . . . 0.599 ' O ' ' HD2' ' B' ' 22' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 205' ' ' HOH . . . . . 0.433 ' O ' ' HA3' ' C' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 210' ' ' HOH . . . . . 0.593 ' O ' ' NE2' ' C' ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 219' ' ' HOH . . . . . 0.487 ' O ' ' HG ' ' C' ' 13' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 224' ' ' HOH . . . . . 0.575 ' O ' HG21 ' D' ' 30' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.419 ' HA3' ' O ' ' B' ' 29' ' ' LYS . . . . . . . . 0 C--O 1.236 0.229 0 N-CA-C 117.597 1.799 . . . . 40.01 117.597 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.1 tt -61.76 -29.3 45.95 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 N-CA-C 114.165 1.172 . . . . 42.97 114.165 -179.263 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.534 ' HB2' ' O ' ' A' ' 105' ' ' HOH . 0.2 OUTLIER -69.06 -44.21 73.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.838 -0.539 . . . . 40.35 111.469 -179.585 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.6 mp0 -68.9 -43.6 74.91 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 120.663 -0.415 . . . . 51.16 110.196 179.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.608 ' NE2' ' OH ' ' A' ' 19' ' ' TYR . 7.5 tt0 -69.68 -37.53 76.7 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 114.976 1.473 . . . . 42.98 114.976 -178.917 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 71.2 m -110.18 -2.34 16.92 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 116.149 1.907 . . . . 42.14 116.149 -172.677 -62.619 -50.504 -87.664 104.929 2.021 103.061 154.086 -81.736 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.4 m -104.57 -18.2 14.43 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 108.893 -0.78 . . . . 43.72 108.893 178.171 -67.789 -61.89 -91.05 104.23 2.028 104.212 -128.416 167.157 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.3 m -74.59 -46.28 39.68 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 107.605 -1.257 . . . . 46.84 107.605 179.132 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.1 t -142.5 167.94 20.91 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 106.0 -1.852 . . . . 46.74 106.0 178.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.54 ' HB ' ' O ' ' A' ' 116' ' ' HOH . 32.0 mt -72.36 136.13 26.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 116.088 1.885 . . . . 40.81 116.088 -177.7 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.406 ' HA ' ' OE1' ' A' ' 15' ' ' GLN . 16.2 m -96.78 138.67 33.99 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 107.602 -1.258 . . . . 39.8 107.602 176.284 -81.736 154.086 -87.664 103.061 2.021 104.929 -50.504 -62.619 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.0 p -80.45 170.88 15.78 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.431 -0.952 . . . . 40.84 108.431 179.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.9 mt -63.54 -32.31 73.72 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 108.391 -0.966 . . . . 47.24 108.391 179.766 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -68.98 -39.08 79.62 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.415 -0.811 . . . . 65.79 109.611 -179.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.406 ' OE1' ' HA ' ' A' ' 11' ' ' CYS . 85.8 mt-30 -68.53 -40.02 80.94 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 119.994 -0.683 . . . . 41.8 110.449 178.05 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.3 mt -64.07 -38.92 92.8 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 109.742 -0.466 . . . . 40.04 109.742 179.442 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -50.39 -38.62 43.7 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.57 -0.741 . . . . 49.7 111.547 179.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 113' ' ' HOH . 10.1 m120 -69.97 -2.59 12.98 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 114.151 1.167 . . . . 52.9 114.151 -178.715 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.608 ' OH ' ' NE2' ' A' ' 5' ' ' GLN . 27.0 m-85 -101.87 -9.72 20.48 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.592 -0.521 . . . . 38.78 109.592 178.374 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.8 m -78.36 155.78 29.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.823 -0.626 . . . . 40.4 112.223 179.258 -63.179 -53.015 -82.001 103.569 2.019 103.978 -46.008 -53.816 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.7 m120 . . . . . 0 C--O 1.248 1.011 0 N-CA-C 104.598 -2.371 . . . . 42.48 104.598 177.457 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 31.3 t80 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 108.383 -0.969 . . . . 56.26 108.383 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.4 m -111.97 43.35 0.33 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.412 0 N-CA-C 113.771 1.026 . . . . 47.86 113.771 -178.553 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -45.35 -53.54 8.42 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.485 0.92 . . . . 54.76 113.485 -179.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -60.31 -41.32 93.23 Favored 'General case' 0 CA--C 1.506 -0.72 0 N-CA-C 114.786 1.402 . . . . 42.7 114.786 -178.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -67.82 -39.96 83.88 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 116.074 -0.512 . . . . 38.11 111.058 -179.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 51.4 mt -70.55 -44.03 68.3 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.27 -0.641 . . . . 31.3 109.27 -179.659 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 8.8 t -57.68 -48.8 78.52 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-N 116.359 -0.382 . . . . 32.92 111.002 178.994 167.157 -128.416 -91.05 104.212 2.028 104.23 -61.89 -67.789 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.09 -33.62 45.17 Favored Glycine 0 C--N 1.335 0.518 0 N-CA-C 114.403 0.521 . . . . 34.03 114.403 179.571 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 46.3 t -62.5 -46.36 88.78 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.204 -1.036 . . . . 32.8 108.204 178.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -67.57 -33.55 75.24 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.886 -0.597 . . . . 37.21 111.916 179.487 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.6 mt -60.44 -50.75 72.34 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.584 0.587 . . . . 36.44 112.584 178.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 34.2 m -66.48 -27.46 40.39 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 C-N-CA 119.646 -0.822 . . . . 33.76 112.014 -178.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -71.69 -34.09 69.36 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 106.667 -1.605 . . . . 53.06 106.667 178.603 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.77 -41.17 65.34 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 108.875 -0.787 . . . . 33.98 108.875 178.773 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 56.5 mt -62.75 -43.16 99.54 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.44 -0.948 . . . . 33.01 108.44 178.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -54.4 -40.87 68.65 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.186 -0.606 . . . . 35.12 109.657 178.766 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 52.6 tp -73.18 -47.61 42.24 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 114.25 1.204 . . . . 43.89 114.25 -178.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 57.5 t -73.03 -39.93 58.21 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.547 0 N-CA-C 114.474 1.287 . . . . 38.11 114.474 -178.692 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 56.2 m -78.63 -22.44 46.9 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 117.142 2.275 . . . . 37.98 117.142 -177.91 -53.816 -46.008 -82.001 103.978 2.019 103.569 -53.015 -63.179 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 52.37 -138.44 32.27 Favored Glycine 0 CA--C 1.52 0.348 0 N-CA-C 117.742 1.857 . . . . 42.77 117.742 178.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -61.32 -21.18 63.75 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 113.737 1.014 . . . . 64.32 113.737 -179.653 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.599 ' HD2' ' O ' ' B' ' 113' ' ' HOH . 83.2 mtm180 -67.64 -29.6 68.95 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.999 -0.28 . . . . 46.79 111.698 179.182 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.98 -173.12 55.19 Favored Glycine 0 C--O 1.241 0.58 0 C-N-CA 119.473 -1.346 . . . . 36.09 111.011 -179.427 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -167.56 162.14 14.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.355 0.598 . . . . 36.86 110.839 -178.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -108.09 139.91 42.06 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 104.33 -2.47 . . . . 43.05 104.33 177.122 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -119.94 108.94 14.94 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 106.033 -1.84 . . . . 37.47 106.033 177.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' THR . . . . . 0.445 ' O ' ' N ' ' B' ' 29' ' ' LYS . 30.0 p -128.4 92.19 41.8 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 46.19 109.75 -179.123 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -63.71 77.37 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 120.415 0.743 . . . . 57.86 111.214 179.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' B' ' 27' ' ' THR . 47.3 pttt -115.34 116.08 27.69 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.077 -0.51 . . . . 71.03 111.773 -179.063 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' THR . . . . . 0.455 HG23 ' O ' ' B' ' 111' ' ' HOH . 71.6 p . . . . . 0 C--O 1.252 1.193 0 N-CA-C 114.858 1.429 . . . . 77.4 114.858 -179.453 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' GLY . . . . . 0.433 ' HA3' ' O ' ' C' ' 205' ' ' HOH . . . . . . . . 0 N--CA 1.492 2.387 0 CA-C-O 120.811 0.117 . . . . 61.14 113.126 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 21.3 tt -63.32 -27.9 43.98 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 N-CA-C 111.912 0.338 . . . . 57.99 111.912 -179.503 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' LEU . . . . . 0.467 ' O ' ' HB2' ' C' ' 7' ' ' CYS . 95.2 mt -73.9 -34.96 64.6 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.165 -0.68 . . . . 56.55 109.165 179.128 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -72.79 -31.03 64.56 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.059 0.392 . . . . 62.58 112.059 179.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' GLN . . . . . 0.593 ' NE2' ' O ' ' C' ' 210' ' ' HOH . 8.1 tt0 -93.22 -23.08 18.66 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 114.705 1.372 . . . . 63.71 114.705 -179.36 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 54.3 m -121.5 -1.03 9.65 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 117.47 2.396 . . . . 56.6 117.47 -177.797 -53.42 -54.243 -88.979 102.797 2.024 103.679 151.155 -72.101 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' CYS . . . . . 0.524 ' SG ' HD11 ' D' ' 11' ' ' LEU . 55.8 m -109.39 8.83 25.61 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 119.154 -1.018 . . . . 62.58 112.629 179.115 -75.398 -61.805 -93.417 103.177 2.029 103.638 -122.169 178.016 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 46.4 p -115.35 -41.01 3.34 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 106.553 -1.647 . . . . 70.66 106.553 178.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 5.2 t -134.41 142.71 47.24 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 104.815 -2.291 . . . . 70.76 104.815 179.339 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 12.7 tt -68.83 125.97 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 115.153 1.538 . . . . 68.5 115.153 -178.324 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 68.0 m -87.56 143.69 27.07 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 115.986 -0.552 . . . . 58.82 111.882 179.556 -72.101 151.155 -88.979 103.679 2.024 102.797 -54.243 -53.42 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' SER . . . . . 0.776 ' OG ' ' HG3' ' C' ' 15' ' ' GLN . 76.6 p -75.54 165.21 25.45 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.162 -1.051 . . . . 53.94 108.162 178.836 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' C' ' 219' ' ' HOH . 4.3 mt -65.7 -22.59 66.63 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.174 -0.676 . . . . 57.09 109.174 179.464 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -78.83 -31.6 45.86 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.736 -0.468 . . . . 77.65 109.736 178.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' GLN . . . . . 0.776 ' HG3' ' OG ' ' C' ' 12' ' ' SER . 23.3 mt-30 -75.19 -30.22 60.6 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.189 -0.604 . . . . 66.57 109.573 179.122 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 70.9 mt -73.78 -24.99 59.92 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-O 120.709 0.29 . . . . 55.59 110.808 179.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -59.72 -21.73 61.06 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 114.335 1.235 . . . . 67.44 114.335 -179.775 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -72.67 -2.78 21.47 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 112.416 0.525 . . . . 59.85 112.416 179.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -105.5 -2.15 24.0 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 116.217 -0.447 . . . . 49.53 110.505 -179.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 85.1 m -72.05 157.89 36.96 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 105.203 -2.147 . . . . 46.88 105.203 177.773 -64.447 -39.941 -87.896 103.731 2.032 101.375 -53.803 -62.421 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 11.9 m120 . . . . . 0 C--O 1.25 1.112 0 C-N-CA 120.09 -0.644 . . . . 51.8 110.54 179.625 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.495 1.777 0 N-CA-C 112.735 0.643 . . . . 78.94 112.735 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 2' ' ' VAL . . . . . 0.416 ' O ' HG23 ' D' ' 2' ' ' VAL . 24.7 m -86.55 45.4 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.223 -0.307 0 CA-C-N 115.723 -0.671 . . . . 68.22 110.404 -179.765 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -59.88 -41.74 92.22 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 114.111 1.152 . . . . 68.52 114.111 -178.603 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -60.74 -35.64 76.89 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.4 0.619 . . . . 60.03 109.862 179.34 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -68.85 -45.17 71.8 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.464 -0.789 . . . . 56.79 109.606 178.512 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 6' ' ' LEU . . . . . 0.493 ' O ' ' HD2' ' D' ' 10' ' ' HIS . 44.5 mt -66.6 -38.83 87.81 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 109.292 -0.633 . . . . 43.83 109.292 -179.908 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 42.0 t -61.63 -50.9 70.7 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 119.805 -0.758 . . . . 47.22 109.952 179.91 178.016 -122.169 -93.417 103.638 2.029 103.177 -61.805 -75.398 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.23 -38.67 33.6 Favored Glycine 0 C--O 1.225 -0.428 0 C-N-CA 120.412 -0.899 . . . . 39.1 113.529 179.582 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 3.0 t -60.45 -37.61 81.51 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 122.179 0.99 . . . . 37.96 111.705 -179.75 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 10' ' ' HIS . . . . . 0.493 ' HD2' ' O ' ' D' ' 6' ' ' LEU . 72.0 m-70 -73.93 -36.76 64.71 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-N 115.483 -0.781 . . . . 38.57 110.781 -179.769 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 11' ' ' LEU . . . . . 0.524 HD11 ' SG ' ' C' ' 7' ' ' CYS . 34.0 mt -58.8 -47.1 85.94 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.287 -0.869 . . . . 44.99 111.343 179.007 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.411 HG13 ' CZ ' ' D' ' 24' ' ' PHE . 53.9 t -63.27 -39.9 87.03 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.461 0 CA-C-N 116.143 -0.48 . . . . 38.31 110.332 179.381 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 13' ' ' GLU . . . . . 0.575 ' HG3' ' O ' ' B' ' 105' ' ' HOH . 6.8 tt0 -62.37 -42.09 99.13 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.266 -1.013 . . . . 61.08 108.266 178.969 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.4 -48.78 71.68 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 111.873 0.323 . . . . 37.86 111.873 179.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 96.0 mt -57.02 -35.81 69.71 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 107.789 -1.189 . . . . 33.98 107.789 179.319 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 16' ' ' TYR . . . . . 0.439 ' HB3' ' O ' ' D' ' 13' ' ' GLU . 87.1 t80 -58.23 -52.35 65.96 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.436 -0.802 . . . . 33.73 111.817 179.377 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 17.8 tp -66.58 -47.25 73.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.517 0.675 . . . . 38.97 112.053 179.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 68.2 t -65.04 -47.79 86.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 115.822 1.786 . . . . 39.24 115.822 -177.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 71.0 m -71.49 -18.19 62.3 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 117.486 2.402 . . . . 36.6 117.486 -177.363 -62.421 -53.803 -87.896 101.375 2.032 103.731 -39.941 -64.447 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 48.84 -133.51 22.55 Favored Glycine 0 CA--C 1.521 0.466 0 C-N-CA 120.296 -0.954 . . . . 42.89 115.066 179.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -64.19 -18.49 64.54 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 113.95 1.093 . . . . 58.88 113.95 -178.828 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 80.6 mtm180 -69.0 -28.13 66.31 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.445 -0.343 . . . . 54.72 111.741 -179.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.59 176.82 16.43 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 106.359 -2.697 . . . . 42.7 106.359 -177.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 24' ' ' PHE . . . . . 0.411 ' CZ ' HG13 ' D' ' 12' ' ' VAL . 42.0 p90 -143.5 179.19 7.26 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.125 -0.63 . . . . 37.83 112.149 -178.265 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 25' ' ' PHE . . . . . 0.444 ' O ' ' CD1' ' D' ' 25' ' ' PHE . 30.9 p90 -128.49 122.85 32.14 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 106.838 -1.542 . . . . 49.56 106.838 177.468 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -109.36 103.68 12.66 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 106.14 -1.8 . . . . 41.84 106.14 179.282 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 27' ' ' THR . . . . . 0.431 ' O ' HG23 ' D' ' 30' ' ' THR . 0.4 OUTLIER -131.23 80.54 68.1 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.344 -0.844 . . . . 54.06 109.615 -179.784 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 28' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -55.94 -5.22 0.81 Allowed 'Trans proline' 0 C--N 1.345 0.351 1 C-N-CA 126.304 4.669 . . . . 58.75 115.692 -179.778 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 34.1 mtpt -132.61 60.39 1.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.647 0.98 . . . . 69.95 113.647 179.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 30' ' ' THR . . . . . 0.575 HG21 ' O ' ' D' ' 224' ' ' HOH . 74.7 p . . . . . 0 C--O 1.251 1.177 0 CA-C-O 118.001 -0.999 . . . . 75.98 109.35 178.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' IPH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 200' ' ' IPH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 202' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . 0.51 ' O ' HG13 ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . 0.534 ' O ' ' HB2' ' A' ' 3' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . 0.413 ' O ' ' ND2' ' A' ' 18' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . 0.54 ' O ' ' HB ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' HOH . . . . . 0.575 ' O ' ' HG3' ' D' ' 13' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' HOH . . . . . 0.455 ' O ' HG23 ' B' ' 30' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' HOH . . . . . 0.599 ' O ' ' HD2' ' B' ' 22' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 205' ' ' HOH . . . . . 0.433 ' O ' ' HA3' ' C' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 210' ' ' HOH . . . . . 0.593 ' O ' ' NE2' ' C' ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 219' ' ' HOH . . . . . 0.487 ' O ' ' HG ' ' C' ' 13' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 224' ' ' HOH . . . . . 0.575 ' O ' HG21 ' D' ' 30' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_