data_4iuz_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 4iuz _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 N--CA 1.486 2.028 0 N-CA-C 110.416 -1.074 . . . . 31.309999999999999 110.416 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.5 tt -61.48 -32.96 54.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 N-CA-C 113.873 1.064 . . . . 22.579999999999998 113.873 -170.849 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 70.9 t -70.82 -40.44 76.66 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 C-N-CA 118.826 -1.149 . . . . 26.289999999999999 110.377 -179.724 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLU . . . . . 1.169 ' OE1' ' CB ' ' B' ' 30' ' ' THR . 3.5 mp0 -71.48 -21.92 61.88 Favored 'General case' 0 CA--C 1.504 -0.799 0 C-N-CA 119.234 -0.986 . . . . 42.859999999999999 112.322 175.006 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -79.93 -38.28 32.77 Favored 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 113.944 1.091 . . . . 34.539999999999999 113.944 176.674 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 89.6 m -124.54 -19.2 5.48 Favored 'General case' 0 CA--C 1.471 -2.068 0 N-CA-C 114.047 1.129 . . . . 35.140000000000001 114.047 -163.688 -68.162 -76.455 95.21 98.11 2.04 100.22 -161.887 86.831 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.4 t -103.56 -56.31 2.23 Favored 'General case' 0 C--O 1.255 1.386 0 N-CA-C 109.834 -0.432 . . . . 31.620000000000001 109.834 -177.889 172.988 55.238 100.4 106.827 2.093 105.045 -80.901 -60.149 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.8 p -91.89 0.94 57.46 Favored 'General case' 0 N--CA 1.501 2.093 0 C-N-CA 118.404 -1.318 . . . . 29.969999999999999 113.08 177.082 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.4 m -126.94 166.57 17.27 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 123.873 0.869 . . . . 27.760000000000002 109.586 163.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.1 mt -84.73 124.37 39.84 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.055 0 O-C-N 121.683 -0.636 . . . . 33.200000000000003 110.092 176.279 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' CYS . . . . . 0.841 ' CB ' ' OE1' ' A' ' 15' ' ' GLN 0.323 1.5 p -116.47 157.64 24.85 Favored 'General case' 0 CA--C 1.486 -1.487 0 C-N-CA 114.809 -2.756 . . . . 39.079999999999998 113.89 -178.327 86.831 -161.887 95.21 100.22 2.04 98.11 -76.455 -68.162 3 3 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.1 t -87.37 135.29 33.38 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 105.584 -2.006 . . . . 30.43 105.584 175.042 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.8 mt -56.48 -24.28 44.96 Favored 'General case' 0 C--N 1.31 -1.117 0 O-C-N 121.177 -0.952 . . . . 40.93 110.944 173.096 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -62.41 -31.63 72.35 Favored 'General case' 0 C--O 1.25 1.12 0 C-N-CA 119.269 -0.972 . . . . 43.439999999999998 112.084 176.088 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLN . . . . . 0.841 ' OE1' ' CB ' ' A' ' 11' ' ' CYS . 6.8 tt0 -57.37 -35.35 69.84 Favored 'General case' 0 C--O 1.278 2.569 0 C-N-CA 118.511 -1.275 . . . . 24.18 112.212 -179.813 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.45 -23.38 67.26 Favored 'General case' 0 C--O 1.252 1.185 0 CA-C-N 118.657 0.662 . . . . 20.789999999999999 112.139 176.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -57.37 -29.24 63.87 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 117.893 0.315 . . . . 25.489999999999998 110.628 178.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -62.84 -16.98 60.66 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 112.997 0.739 . . . . 19.579999999999998 112.997 179.637 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -101.76 -3.71 27.65 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 118.574 0.624 . . . . 16.989999999999998 112.562 -172.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.5 m -69.0 149.71 48.5 Favored 'General case' 0 C--N 1.349 0.568 0 C-N-CA 119.751 -0.78 . . . . 20.100000000000001 109.601 179.842 -54.358 -48.758 -78.512 108.863 1.997 105.358 -59.166 -64.521 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 . . . . . 0 C--N 1.302 -1.491 0 C-N-CA 114.924 -2.711 . . . . 47.859999999999999 114.696 170.066 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' PHE . . . . . 0.58 ' O ' ' CG ' ' B' ' 4' ' ' GLN . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.42 0 N-CA-C 107.028 -1.471 . . . . 67.280000000000001 107.028 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.6 t -47.51 -37.18 5.07 Favored 'Isoleucine or valine' 0 C--O 1.257 1.494 0 CA-C-N 115.85 -0.614 . . . . 58.219999999999999 111.839 -179.092 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -115.45 40.54 2.69 Favored 'General case' 0 CA--C 1.556 1.203 0 N-CA-C 115.028 1.492 . . . . 53.359999999999999 115.028 -169.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLN . . . . . 0.58 ' CG ' ' O ' ' B' ' 1' ' ' PHE . 0.0 OUTLIER -76.81 127.86 33.54 Favored 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 125.637 1.575 . . . . 46.049999999999997 113.202 175.291 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -133.44 133.03 41.81 Favored 'General case' 0 N--CA 1.533 3.711 0 CA-C-N 121.181 1.81 . . . . 39.229999999999997 108.385 169.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 81.6 mt -124.62 108.32 11.93 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 107.549 -1.278 . . . . 28.420000000000002 107.549 -173.058 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 82.0 m -125.56 151.91 45.78 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-O 121.163 0.506 . . . . 31.84 110.344 -178.371 -60.149 -80.901 100.4 105.045 2.093 106.827 55.238 172.988 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.7 -132.51 52.59 Favored Glycine 0 C--O 1.245 0.815 0 CA-C-N 116.298 -0.41 . . . . 29.18 113.38 174.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 48.1 p -59.67 -30.15 68.56 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 114.651 1.352 . . . . 38.350000000000001 114.651 -179.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -59.36 -37.15 77.17 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-O 118.225 -0.893 . . . . 43.840000000000003 113.155 172.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 26.4 tp -69.73 -40.66 76.09 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 108.038 -1.097 . . . . 25.68 108.038 -179.021 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 53.0 t -64.77 -43.17 96.49 Favored 'Isoleucine or valine' 0 C--O 1.26 1.644 0 O-C-N 120.375 -1.453 . . . . 22.210000000000001 111.12 178.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -63.1 -41.7 99.43 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.529 0.681 . . . . 32.219999999999999 112.122 176.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.03 -39.16 86.93 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 120.132 -0.627 . . . . 17.489999999999998 110.547 -178.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 28.7 mt -60.3 -41.86 94.33 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-O 122.692 1.234 . . . . 17.510000000000002 111.737 175.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.29 -37.85 81.07 Favored 'General case' 0 C--O 1.246 0.9 0 O-C-N 120.647 -1.283 . . . . 27.280000000000001 111.408 -178.511 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 36.5 mt -57.15 -48.38 78.84 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 116.599 -2.04 . . . . 22.0 112.273 176.017 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 23.6 t -74.89 -43.04 46.51 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-N 119.53 1.059 . . . . 17.82 109.905 179.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 85.9 m -88.52 -18.64 27.73 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 112.82 0.674 . . . . 18.850000000000001 112.82 -168.833 -64.521 -59.166 -78.512 105.358 1.997 108.863 -48.758 -54.358 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.17 -142.15 31.19 Favored Glycine 0 C--O 1.193 -2.425 0 C-N-CA 119.409 -1.377 . . . . 26.640000000000001 110.62 177.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -95.2 18.74 11.74 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 117.111 2.263 . . . . 48.829999999999998 117.111 170.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -61.2 -28.23 68.99 Favored 'General case' 0 C--N 1.312 -1.044 0 O-C-N 121.03 -1.044 . . . . 51.549999999999997 113.34 164.175 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.93 172.24 45.77 Favored Glycine 0 C--O 1.256 1.527 0 N-CA-C 110.475 -1.05 . . . . 19.989999999999998 110.475 -168.165 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -161.54 162.56 30.31 Favored 'General case' 0 C--O 1.271 2.217 0 N-CA-C 107.685 -1.228 . . . . 15.720000000000001 107.685 -174.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -161.05 162.32 31.65 Favored 'General case' 0 N--CA 1.503 2.219 0 N-CA-C 107.96 -1.126 . . . . 23.73 107.96 176.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -140.79 143.85 35.1 Favored 'General case' 0 C--O 1.237 0.439 0 N-CA-C 106.609 -1.626 . . . . 39.350000000000001 106.609 170.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 62.9 p -86.93 -35.45 18.9 Favored 'General case' 0 C--N 1.307 -1.264 0 C-N-CA 117.601 -1.64 . . . . 27.68 110.539 -167.17 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 17.6 pttt -149.22 143.89 17.41 Favored Pre-proline 0 C--O 1.213 -0.866 0 N-CA-C 107.963 -1.125 . . . . 49.899999999999999 107.963 177.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -62.66 -35.12 71.54 Favored 'Trans proline' 0 C--O 1.208 -1.015 0 C-N-CA 122.565 2.177 . . . . 39.259999999999998 110.445 -176.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' THR . . . . . 1.169 ' CB ' ' OE1' ' A' ' 4' ' ' GLU . . . . . . . . 0 C--N 1.317 -0.81 0 CA-C-O 118.161 -0.923 . . . . 51.25 112.681 -171.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' PEG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' PEG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.028 0 N-CA-C 110.416 -1.074 . . . . 31.309999999999999 110.416 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.5 tt -61.48 -32.96 54.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 N-CA-C 113.873 1.064 . . . . 22.579999999999998 113.873 -170.849 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 70.9 t -70.82 -40.44 76.66 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 C-N-CA 118.826 -1.149 . . . . 26.289999999999999 110.377 -179.724 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLU . . . . . 1.169 ' OE1' ' CB ' ' B' ' 30' ' ' THR . 3.5 mp0 -71.48 -21.92 61.88 Favored 'General case' 0 CA--C 1.504 -0.799 0 C-N-CA 119.234 -0.986 . . . . 42.859999999999999 112.322 175.006 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLN . . . . . 0.489 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 55.3 mt-30 -79.93 -38.28 32.77 Favored 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 113.944 1.091 . . . . 34.539999999999999 113.944 176.674 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' CYS . . . . . 0.462 ' HA ' ' HB3' ' A' ' 11' ' ' CYS . 89.6 m -124.54 -19.2 5.48 Favored 'General case' 0 CA--C 1.471 -2.068 0 N-CA-C 114.047 1.129 . . . . 35.140000000000001 114.047 -163.688 -68.162 -76.455 95.21 98.11 2.04 100.22 -161.887 86.831 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.4 t -103.56 -56.31 2.23 Favored 'General case' 0 C--O 1.255 1.386 0 N-CA-C 109.834 -0.432 . . . . 31.620000000000001 109.834 -177.889 172.988 55.238 100.4 106.827 2.093 105.045 -80.901 -60.149 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.8 p -91.89 0.94 57.46 Favored 'General case' 0 N--CA 1.501 2.093 0 C-N-CA 118.404 -1.318 . . . . 29.969999999999999 113.08 177.082 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.4 m -126.94 166.57 17.27 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 123.873 0.869 . . . . 27.760000000000002 109.586 163.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.1 mt -84.73 124.37 39.84 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.055 0 O-C-N 121.683 -0.636 . . . . 33.200000000000003 110.092 176.279 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' CYS . . . . . 1.232 ' HB2' ' OE1' ' A' ' 15' ' ' GLN 0.323 1.5 p -116.47 157.64 24.85 Favored 'General case' 0 CA--C 1.486 -1.487 0 C-N-CA 114.809 -2.756 . . . . 39.079999999999998 113.89 -178.327 86.831 -161.887 95.21 100.22 2.04 98.11 -76.455 -68.162 3 3 . 1 . 001 ecloud build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.1 t -87.37 135.29 33.38 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 105.584 -2.006 . . . . 30.43 105.584 175.042 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.8 mt -56.48 -24.28 44.96 Favored 'General case' 0 C--N 1.31 -1.117 0 O-C-N 121.177 -0.952 . . . . 40.93 110.944 173.096 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -62.41 -31.63 72.35 Favored 'General case' 0 C--O 1.25 1.12 0 C-N-CA 119.269 -0.972 . . . . 43.439999999999998 112.084 176.088 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLN . . . . . 1.232 ' OE1' ' HB2' ' A' ' 11' ' ' CYS . 6.8 tt0 -57.37 -35.35 69.84 Favored 'General case' 0 C--O 1.278 2.569 0 C-N-CA 118.511 -1.275 . . . . 27.800000000000001 112.212 -179.813 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.45 -23.38 67.26 Favored 'General case' 0 C--O 1.252 1.185 0 CA-C-N 118.657 0.662 . . . . 20.789999999999999 112.139 176.596 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -57.37 -29.24 63.87 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 117.893 0.315 . . . . 25.489999999999998 110.628 178.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -62.84 -16.98 60.66 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 112.997 0.739 . . . . 19.579999999999998 112.997 179.637 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -101.76 -3.71 27.65 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 118.574 0.624 . . . . 16.989999999999998 112.562 -172.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.5 m -69.0 149.71 48.5 Favored 'General case' 0 C--N 1.349 0.568 0 C-N-CA 119.751 -0.78 . . . . 20.100000000000001 109.601 179.842 -54.358 -48.758 -78.512 108.863 1.997 105.358 -59.166 -64.521 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 . . . . . 0 C--N 1.302 -1.491 0 C-N-CA 114.924 -2.711 . . . . 47.859999999999999 114.696 170.066 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' PHE . . . . . 0.853 ' HB3' ' HG2' ' B' ' 4' ' ' GLN . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.42 0 N-CA-C 107.028 -1.471 . . . . 67.280000000000001 107.028 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.6 t -47.51 -37.18 5.07 Favored 'Isoleucine or valine' 0 C--O 1.257 1.494 0 CA-C-N 115.85 -0.614 . . . . 58.219999999999999 111.839 -179.092 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -115.45 40.54 2.69 Favored 'General case' 0 CA--C 1.556 1.203 0 N-CA-C 115.028 1.492 . . . . 53.359999999999999 115.028 -169.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLN . . . . . 0.853 ' HG2' ' HB3' ' B' ' 1' ' ' PHE . 0.0 OUTLIER -76.81 127.86 33.54 Favored 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 125.637 1.575 . . . . 48.299999999999997 113.202 175.291 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -133.44 133.03 41.81 Favored 'General case' 0 N--CA 1.533 3.711 0 CA-C-N 121.181 1.81 . . . . 39.229999999999997 108.385 169.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 81.6 mt -124.62 108.32 11.93 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 107.549 -1.278 . . . . 28.420000000000002 107.549 -173.058 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 82.0 m -125.56 151.91 45.78 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-O 121.163 0.506 . . . . 31.84 110.344 -178.371 -60.149 -80.901 100.4 105.045 2.093 106.827 55.238 172.988 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' GLY . . . . . 0.674 ' HA2' ' H2 ' ' B' ' 102' ' ' GOL . . . 57.7 -132.51 52.59 Favored Glycine 0 C--O 1.245 0.815 0 CA-C-N 116.298 -0.41 . . . . 29.18 113.38 174.291 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 48.1 p -59.67 -30.15 68.56 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 114.651 1.352 . . . . 38.350000000000001 114.651 -179.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -59.36 -37.15 77.17 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-O 118.225 -0.893 . . . . 43.840000000000003 113.155 172.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 26.4 tp -69.73 -40.66 76.09 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 108.038 -1.097 . . . . 25.68 108.038 -179.021 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 53.0 t -64.77 -43.17 96.49 Favored 'Isoleucine or valine' 0 C--O 1.26 1.644 0 O-C-N 120.375 -1.453 . . . . 22.210000000000001 111.12 178.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -63.1 -41.7 99.43 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.529 0.681 . . . . 32.219999999999999 112.122 176.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.03 -39.16 86.93 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 120.132 -0.627 . . . . 17.489999999999998 110.547 -178.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 28.7 mt -60.3 -41.86 94.33 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-O 122.692 1.234 . . . . 17.510000000000002 111.737 175.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.29 -37.85 81.07 Favored 'General case' 0 C--O 1.246 0.9 0 O-C-N 120.647 -1.283 . . . . 27.280000000000001 111.408 -178.511 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 36.5 mt -57.15 -48.38 78.84 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 116.599 -2.04 . . . . 26.219999999999999 112.273 176.017 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 23.6 t -74.89 -43.04 46.51 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-N 119.53 1.059 . . . . 17.82 109.905 179.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 85.9 m -88.52 -18.64 27.73 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 112.82 0.674 . . . . 18.850000000000001 112.82 -168.833 -64.521 -59.166 -78.512 105.358 1.997 108.863 -48.758 -54.358 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.17 -142.15 31.19 Favored Glycine 0 C--O 1.193 -2.425 0 C-N-CA 119.409 -1.377 . . . . 26.640000000000001 110.62 177.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -95.2 18.74 11.74 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 117.111 2.263 . . . . 48.829999999999998 117.111 170.667 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -61.2 -28.23 68.99 Favored 'General case' 0 C--N 1.312 -1.044 0 O-C-N 121.03 -1.044 . . . . 51.549999999999997 113.34 164.175 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.93 172.24 45.77 Favored Glycine 0 C--O 1.256 1.527 0 N-CA-C 110.475 -1.05 . . . . 19.989999999999998 110.475 -168.165 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -161.54 162.56 30.31 Favored 'General case' 0 C--O 1.271 2.217 0 N-CA-C 107.685 -1.228 . . . . 15.720000000000001 107.685 -174.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -161.05 162.32 31.65 Favored 'General case' 0 N--CA 1.503 2.219 0 N-CA-C 107.96 -1.126 . . . . 23.73 107.96 176.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -140.79 143.85 35.1 Favored 'General case' 0 C--O 1.237 0.439 0 N-CA-C 106.609 -1.626 . . . . 39.350000000000001 106.609 170.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 62.9 p -86.93 -35.45 18.9 Favored 'General case' 0 C--N 1.307 -1.264 0 C-N-CA 117.601 -1.64 . . . . 27.68 110.539 -167.17 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 17.6 pttt -149.22 143.89 17.41 Favored Pre-proline 0 C--O 1.213 -0.866 0 N-CA-C 107.963 -1.125 . . . . 49.899999999999999 107.963 177.49 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -62.66 -35.12 71.54 Favored 'Trans proline' 0 C--O 1.208 -1.015 0 C-N-CA 122.565 2.177 . . . . 39.259999999999998 110.445 -176.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' THR . . . . . 1.169 ' CB ' ' OE1' ' A' ' 4' ' ' GLU . . . . . . . . 0 C--N 1.317 -0.81 0 CA-C-O 118.161 -0.923 . . . . 51.25 112.681 -171.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' PEG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' GOL . . . . . 0.674 ' H2 ' ' HA2' ' B' ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' PEG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.028 0 N-CA-C 110.416 -1.074 . . . . 31.309999999999999 110.416 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.5 tt -61.48 -32.96 54.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 N-CA-C 113.873 1.064 . . . . 22.579999999999998 113.873 -170.849 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 70.9 t -70.82 -40.44 76.66 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 C-N-CA 118.826 -1.149 . . . . 26.289999999999999 110.377 -179.724 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLU . . . . . 1.169 ' OE1' ' CB ' ' B' ' 30' ' ' THR . 3.5 mp0 -71.48 -21.92 61.88 Favored 'General case' 0 CA--C 1.504 -0.799 0 C-N-CA 119.234 -0.986 . . . . 42.859999999999999 112.322 175.006 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.489 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 13.4 mt-30 -79.93 -38.28 32.77 Favored 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 113.944 1.091 . . . . 34.539999999999999 113.944 176.674 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.462 ' HA ' ' HB3' ' A' ' 11' ' ' CYS . 89.6 m -124.54 -19.2 5.48 Favored 'General case' 0 CA--C 1.471 -2.068 0 N-CA-C 114.047 1.129 . . . . 35.140000000000001 114.047 -163.688 -68.162 -76.455 95.21 98.11 2.04 100.22 -161.887 86.831 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.4 t -103.56 -56.31 2.23 Favored 'General case' 0 C--O 1.255 1.386 0 N-CA-C 109.834 -0.432 . . . . 31.620000000000001 109.834 -177.889 172.988 55.238 100.4 106.827 2.093 105.045 -80.901 -60.149 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.8 p -91.89 0.94 57.46 Favored 'General case' 0 N--CA 1.501 2.093 0 C-N-CA 118.404 -1.318 . . . . 29.969999999999999 113.08 177.082 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.4 m -126.94 166.57 17.27 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 123.873 0.869 . . . . 27.760000000000002 109.586 163.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.1 mt -84.73 124.37 39.84 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.055 0 O-C-N 121.683 -0.636 . . . . 33.200000000000003 110.092 176.279 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' CYS . . . . . 1.232 ' HB2' ' OE1' ' A' ' 15' ' ' GLN 0.323 1.5 p -116.47 157.64 24.85 Favored 'General case' 0 CA--C 1.486 -1.487 0 C-N-CA 114.809 -2.756 . . . . 39.079999999999998 113.89 -178.327 86.831 -161.887 95.21 100.22 2.04 98.11 -76.455 -68.162 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.1 t -87.37 135.29 33.38 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 105.584 -2.006 . . . . 30.43 105.584 175.042 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.8 mt -56.48 -24.28 44.96 Favored 'General case' 0 C--N 1.31 -1.117 0 O-C-N 121.177 -0.952 . . . . 40.93 110.944 173.096 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -62.41 -31.63 72.35 Favored 'General case' 0 C--O 1.25 1.12 0 C-N-CA 119.269 -0.972 . . . . 43.439999999999998 112.084 176.088 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLN . . . . . 1.232 ' OE1' ' HB2' ' A' ' 11' ' ' CYS . 6.8 tt0 -57.37 -35.35 69.84 Favored 'General case' 0 C--O 1.278 2.569 0 C-N-CA 118.511 -1.275 . . . . 27.800000000000001 112.212 -179.813 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.45 -23.38 67.26 Favored 'General case' 0 C--O 1.252 1.185 0 CA-C-N 118.657 0.662 . . . . 20.789999999999999 112.139 176.596 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -57.37 -29.24 63.87 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 117.893 0.315 . . . . 25.489999999999998 110.628 178.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -62.84 -16.98 60.66 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 112.997 0.739 . . . . 19.579999999999998 112.997 179.637 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -101.76 -3.71 27.65 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 118.574 0.624 . . . . 16.989999999999998 112.562 -172.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.5 m -69.0 149.71 48.5 Favored 'General case' 0 C--N 1.349 0.568 0 C-N-CA 119.751 -0.78 . . . . 20.100000000000001 109.601 179.842 -54.358 -48.758 -78.512 108.863 1.997 105.358 -59.166 -64.521 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 . . . . . 0 C--N 1.302 -1.491 0 C-N-CA 114.924 -2.711 . . . . 47.859999999999999 114.696 170.066 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.853 ' HB3' ' HG2' ' B' ' 4' ' ' GLN . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.42 0 N-CA-C 107.028 -1.471 . . . . 67.280000000000001 107.028 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.6 t -47.51 -37.18 5.07 Favored 'Isoleucine or valine' 0 C--O 1.257 1.494 0 CA-C-N 115.85 -0.614 . . . . 58.219999999999999 111.839 -179.092 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -115.45 40.54 2.69 Favored 'General case' 0 CA--C 1.556 1.203 0 N-CA-C 115.028 1.492 . . . . 53.359999999999999 115.028 -169.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.853 ' HG2' ' HB3' ' B' ' 1' ' ' PHE . 0.0 OUTLIER -76.81 127.86 33.54 Favored 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 125.637 1.575 . . . . 48.299999999999997 113.202 175.291 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -133.44 133.03 41.81 Favored 'General case' 0 N--CA 1.533 3.711 0 CA-C-N 121.181 1.81 . . . . 39.229999999999997 108.385 169.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 81.6 mt -124.62 108.32 11.93 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 107.549 -1.278 . . . . 28.420000000000002 107.549 -173.058 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 82.0 m -125.56 151.91 45.78 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-O 121.163 0.506 . . . . 31.84 110.344 -178.371 -60.149 -80.901 100.4 105.045 2.093 106.827 55.238 172.988 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' GLY . . . . . 0.674 ' HA2' ' H2 ' ' B' ' 102' ' ' GOL . . . 57.7 -132.51 52.59 Favored Glycine 0 C--O 1.245 0.815 0 CA-C-N 116.298 -0.41 . . . . 29.18 113.38 174.291 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 48.1 p -59.67 -30.15 68.56 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 114.651 1.352 . . . . 38.350000000000001 114.651 -179.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -59.36 -37.15 77.17 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-O 118.225 -0.893 . . . . 43.840000000000003 113.155 172.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 26.4 tp -69.73 -40.66 76.09 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 108.038 -1.097 . . . . 25.68 108.038 -179.021 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 53.0 t -64.77 -43.17 96.49 Favored 'Isoleucine or valine' 0 C--O 1.26 1.644 0 O-C-N 120.375 -1.453 . . . . 22.210000000000001 111.12 178.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -63.1 -41.7 99.43 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.529 0.681 . . . . 32.219999999999999 112.122 176.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.03 -39.16 86.93 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 120.132 -0.627 . . . . 17.489999999999998 110.547 -178.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 28.7 mt -60.3 -41.86 94.33 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-O 122.692 1.234 . . . . 17.510000000000002 111.737 175.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.29 -37.85 81.07 Favored 'General case' 0 C--O 1.246 0.9 0 O-C-N 120.647 -1.283 . . . . 27.280000000000001 111.408 -178.511 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 36.5 mt -57.15 -48.38 78.84 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 116.599 -2.04 . . . . 26.219999999999999 112.273 176.017 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 23.6 t -74.89 -43.04 46.51 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-N 119.53 1.059 . . . . 17.82 109.905 179.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 85.9 m -88.52 -18.64 27.73 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 112.82 0.674 . . . . 18.850000000000001 112.82 -168.833 -64.521 -59.166 -78.512 105.358 1.997 108.863 -48.758 -54.358 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.17 -142.15 31.19 Favored Glycine 0 C--O 1.193 -2.425 0 C-N-CA 119.409 -1.377 . . . . 26.640000000000001 110.62 177.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -95.2 18.74 11.74 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 117.111 2.263 . . . . 48.829999999999998 117.111 170.667 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -61.2 -28.23 68.99 Favored 'General case' 0 C--N 1.312 -1.044 0 O-C-N 121.03 -1.044 . . . . 51.549999999999997 113.34 164.175 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.93 172.24 45.77 Favored Glycine 0 C--O 1.256 1.527 0 N-CA-C 110.475 -1.05 . . . . 19.989999999999998 110.475 -168.165 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -161.54 162.56 30.31 Favored 'General case' 0 C--O 1.271 2.217 0 N-CA-C 107.685 -1.228 . . . . 15.720000000000001 107.685 -174.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -161.05 162.32 31.65 Favored 'General case' 0 N--CA 1.503 2.219 0 N-CA-C 107.96 -1.126 . . . . 23.73 107.96 176.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -140.79 143.85 35.1 Favored 'General case' 0 C--O 1.237 0.439 0 N-CA-C 106.609 -1.626 . . . . 39.350000000000001 106.609 170.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 62.9 p -86.93 -35.45 18.9 Favored 'General case' 0 C--N 1.307 -1.264 0 C-N-CA 117.601 -1.64 . . . . 27.68 110.539 -167.17 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 17.6 pttt -149.22 143.89 17.41 Favored Pre-proline 0 C--O 1.213 -0.866 0 N-CA-C 107.963 -1.125 . . . . 49.899999999999999 107.963 177.49 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -62.66 -35.12 71.54 Favored 'Trans proline' 0 C--O 1.208 -1.015 0 C-N-CA 122.565 2.177 . . . . 39.259999999999998 110.445 -176.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' THR . . . . . 1.169 ' CB ' ' OE1' ' A' ' 4' ' ' GLU . . . . . . . . 0 C--N 1.317 -0.81 0 CA-C-O 118.161 -0.923 . . . . 51.25 112.681 -171.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' PEG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' GOL . . . . . 0.674 ' H2 ' ' HA2' ' B' ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' PEG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_