data_1ajj_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 1ajj _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 ' 4' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_endo . . . . . 0 CA--C 1.564 1.98 0 CA-C-O 116.226 -1.656 . . . . 24.22 113.518 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 69.7 m -68.88 160.0 31.5 Favored 'General case' 0 N--CA 1.498 1.971 0 C-N-CA 128.015 2.526 . . . . 20.42 117.416 -174.881 -71.54 -44.377 -95.925 106.186 1.997 103.199 -85.225 -59.718 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 m -70.39 155.78 40.22 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 106.974 -1.491 . . . . 20.43 106.974 174.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.56 133.75 9.93 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 113.173 0.805 . . . . 14.29 113.173 -177.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 78.12 -21.18 0.34 Allowed 'General case' 0 C--O 1.236 0.366 0 C-N-CA 126.351 1.86 . . . . 11.55 115.158 175.165 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -67.35 144.36 55.87 Favored 'General case' 0 C--O 1.245 0.851 0 O-C-N 121.051 -1.031 . . . . 21.36 111.921 -178.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -77.59 134.07 38.31 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 114.195 -1.366 . . . . 8.98 107.327 177.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -100.98 109.05 20.92 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.731 -1.122 . . . . 10.45 110.73 179.777 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 58.1 m -60.48 143.13 54.16 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.195 -0.911 . . . . 9.11 110.019 174.369 -54.643 -77.622 -77.192 101.099 1.974 103.19 -74.247 -61.65 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.0 mt -67.7 -18.42 64.91 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.402 0.546 . . . . 12.6 110.968 176.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.2 p -78.87 -4.4 49.46 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 123.05 1.405 . . . . 10.76 110.139 173.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 114.91 -34.34 4.9 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 117.566 -3.209 . . . . 10.93 115.958 171.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 pm0 -75.94 158.8 31.57 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 120.089 1.944 . . . . 11.91 112.552 -176.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 85.0 m -110.99 133.54 53.31 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 112.131 -2.304 . . . . 13.84 110.093 -178.318 -59.718 -85.225 -95.925 103.199 1.997 106.186 -44.377 -71.54 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.2 pt -127.02 162.86 30.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.405 0.622 . . . . 9.89 110.424 -179.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -52.01 137.57 26.85 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.865 -0.607 . . . . 14.33 111.925 176.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 85.7 p -55.32 -33.82 63.64 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 120.821 -1.174 . . . . 10.72 111.192 -178.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.51 -12.66 61.83 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 114.616 -1.175 . . . . 16.06 113.673 179.522 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 37.4 m0 -89.08 -0.77 57.71 Favored 'General case' 0 N--CA 1.425 -1.716 0 O-C-N 121.189 -0.945 . . . . 11.37 111.456 -177.144 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -76.92 121.39 23.37 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 106.805 -1.554 . . . . 9.01 106.805 171.529 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 84.5 m 54.55 48.67 19.91 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 114.216 1.191 . . . . 11.31 114.216 179.875 -64.394 -39.56 -71.96 105.229 1.987 109.934 -73.857 -58.939 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 44.5 p-10 -107.14 3.67 25.99 Favored 'General case' 0 C--O 1.231 0.123 0 O-C-N 121.028 -1.045 . . . . 13.71 110.516 -179.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.92 -44.98 1.43 Allowed Glycine 0 N--CA 1.461 0.353 0 O-C-N 119.934 -1.729 . . . . 15.65 112.782 179.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -88.14 130.85 10.32 Favored Glycine 0 C--O 1.266 2.14 0 O-C-N 118.509 -2.76 . . . . 13.89 111.974 -177.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -66.88 122.83 10.24 Favored 'Trans proline' 0 CA--C 1.507 -0.852 0 C-N-CA 123.577 2.851 . . . . 12.56 110.583 174.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -110.85 -33.53 6.5 Favored 'General case' 0 C--O 1.214 -0.813 0 CA-C-O 122.159 0.981 . . . . 10.94 112.343 -178.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 73.7 m -79.13 153.97 29.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.111 -0.993 . . . . 8.98 108.444 -179.391 -61.65 -74.247 -77.192 103.19 1.974 101.099 -77.622 -54.643 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 45.7 mttp -57.55 -35.31 70.17 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 124.063 0.945 . . . . 17.22 110.415 175.537 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 51.3 p-10 -101.29 7.57 42.8 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 120.882 -1.136 . . . . 10.68 113.528 -179.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.2 mttt 58.43 20.1 7.1 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.961 1.304 . . . . 8.52 112.442 -178.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.8 p -63.38 -22.61 66.98 Favored 'General case' 0 N--CA 1.48 1.046 0 O-C-N 119.014 -2.304 . . . . 7.99 113.01 -176.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -66.07 -16.75 64.2 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 114.842 1.423 . . . . 8.43 114.842 176.352 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -113.56 3.29 15.64 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 122.211 1.005 . . . . 11.61 111.851 -179.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -71.47 133.9 46.19 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 121.046 -1.034 . . . . 21.26 108.523 176.055 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 63.26 37.31 11.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 123.83 1.776 . . . . 11.81 111.314 -179.777 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 77.4 m -118.98 120.67 37.93 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-N 112.56 -2.109 . . . . 11.17 107.099 174.608 -58.939 -73.857 -71.96 109.934 1.987 105.229 -39.56 -64.394 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--O 0.918 -16.364 0 CA-C-O 112.865 -3.445 . . . . 11.6 110.193 177.499 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' PRO . . . . . 0.401 ' HB2' ' H ' ' A' ' 5' ' ' CYS . 8.0 Cg_endo . . . . . 0 CA--C 1.564 1.98 0 CA-C-O 116.226 -1.656 . . . . 24.22 113.518 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' CYS . . . . . 0.401 ' H ' ' HB2' ' A' ' 4' ' ' PRO . 69.7 m -68.88 160.0 31.5 Favored 'General case' 0 N--CA 1.498 1.971 0 C-N-CA 128.015 2.526 . . . . 20.42 117.416 -174.881 -71.54 -44.377 -95.925 106.186 1.997 103.199 -85.225 -59.718 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 m -70.39 155.78 40.22 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 106.974 -1.491 . . . . 20.43 106.974 174.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.56 133.75 9.93 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 113.173 0.805 . . . . 14.29 113.173 -177.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 78.12 -21.18 0.34 Allowed 'General case' 0 C--O 1.236 0.366 0 C-N-CA 126.351 1.86 . . . . 11.55 115.158 175.165 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -67.35 144.36 55.87 Favored 'General case' 0 C--O 1.245 0.851 0 O-C-N 121.051 -1.031 . . . . 21.36 111.921 -178.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -77.59 134.07 38.31 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 114.195 -1.366 . . . . 8.98 107.327 177.931 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -100.98 109.05 20.92 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.731 -1.122 . . . . 10.45 110.73 179.777 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' CYS . . . . . 0.557 ' SG ' ' HG2' ' A' ' 16' ' ' GLU . 58.1 m -60.48 143.13 54.16 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.195 -0.911 . . . . 9.11 110.019 174.369 -54.643 -77.622 -77.192 101.099 1.974 103.19 -74.247 -61.65 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.0 mt -67.7 -18.42 64.91 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.402 0.546 . . . . 12.6 110.968 176.603 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.2 p -78.87 -4.4 49.46 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 123.05 1.405 . . . . 10.76 110.139 173.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 114.91 -34.34 4.9 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 117.566 -3.209 . . . . 10.93 115.958 171.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLU . . . . . 0.557 ' HG2' ' SG ' ' A' ' 12' ' ' CYS . 11.3 pm0 -75.94 158.8 31.57 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 120.089 1.944 . . . . 11.91 112.552 -176.135 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 85.0 m -110.99 133.54 53.31 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 112.131 -2.304 . . . . 13.84 110.093 -178.318 -59.718 -85.225 -95.925 103.199 1.997 106.186 -44.377 -71.54 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.2 pt -127.02 162.86 30.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.405 0.622 . . . . 9.89 110.424 -179.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -52.01 137.57 26.85 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.865 -0.607 . . . . 14.33 111.925 176.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 85.7 p -55.32 -33.82 63.64 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 120.821 -1.174 . . . . 10.72 111.192 -178.503 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.51 -12.66 61.83 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 114.616 -1.175 . . . . 16.06 113.673 179.522 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 37.4 m0 -89.08 -0.77 57.71 Favored 'General case' 0 N--CA 1.425 -1.716 0 O-C-N 121.189 -0.945 . . . . 11.37 111.456 -177.144 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -76.92 121.39 23.37 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 106.805 -1.554 . . . . 9.01 106.805 171.529 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 84.5 m 54.55 48.67 19.91 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 114.216 1.191 . . . . 11.31 114.216 179.875 -64.394 -39.56 -71.96 105.229 1.987 109.934 -73.857 -58.939 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 44.5 p-10 -107.14 3.67 25.99 Favored 'General case' 0 C--O 1.231 0.123 0 O-C-N 121.028 -1.045 . . . . 13.71 110.516 -179.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.92 -44.98 1.43 Allowed Glycine 0 N--CA 1.461 0.353 0 O-C-N 119.934 -1.729 . . . . 15.65 112.782 179.242 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -88.14 130.85 10.32 Favored Glycine 0 C--O 1.266 2.14 0 O-C-N 118.509 -2.76 . . . . 13.89 111.974 -177.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -66.88 122.83 10.24 Favored 'Trans proline' 0 CA--C 1.507 -0.852 0 C-N-CA 123.577 2.851 . . . . 12.56 110.583 174.142 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -110.85 -33.53 6.5 Favored 'General case' 0 C--O 1.214 -0.813 0 CA-C-O 122.159 0.981 . . . . 10.94 112.343 -178.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 73.7 m -79.13 153.97 29.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.111 -0.993 . . . . 8.98 108.444 -179.391 -61.65 -74.247 -77.192 103.19 1.974 101.099 -77.622 -54.643 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 45.7 mttp -57.55 -35.31 70.17 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 124.063 0.945 . . . . 17.22 110.415 175.537 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 51.3 p-10 -101.29 7.57 42.8 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 120.882 -1.136 . . . . 10.68 113.528 -179.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.2 mttt 58.43 20.1 7.1 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.961 1.304 . . . . 8.52 112.442 -178.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.8 p -63.38 -22.61 66.98 Favored 'General case' 0 N--CA 1.48 1.046 0 O-C-N 119.014 -2.304 . . . . 7.99 113.01 -176.309 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -66.07 -16.75 64.2 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 114.842 1.423 . . . . 8.43 114.842 176.352 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -113.56 3.29 15.64 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 122.211 1.005 . . . . 11.61 111.851 -179.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -71.47 133.9 46.19 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 121.046 -1.034 . . . . 21.26 108.523 176.055 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 63.26 37.31 11.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 123.83 1.776 . . . . 11.81 111.314 -179.777 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 77.4 m -118.98 120.67 37.93 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-N 112.56 -2.109 . . . . 11.17 107.099 174.608 -58.939 -73.857 -71.96 109.934 1.987 105.229 -39.56 -64.394 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--O 0.918 -16.364 0 CA-C-O 112.865 -3.445 . . . . 11.6 110.193 177.499 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.401 ' HB2' ' H ' ' A' ' 5' ' ' CYS . 8.0 Cg_endo . . . . . 0 CA--C 1.564 1.98 0 CA-C-O 116.226 -1.656 . . . . 24.22 113.518 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.401 ' H ' ' HB2' ' A' ' 4' ' ' PRO . 69.7 m -68.88 160.0 31.5 Favored 'General case' 0 N--CA 1.498 1.971 0 C-N-CA 128.015 2.526 . . . . 20.42 117.416 -174.881 -71.54 -44.377 -95.925 106.186 1.997 103.199 -85.225 -59.718 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 m -70.39 155.78 40.22 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 106.974 -1.491 . . . . 20.43 106.974 174.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.56 133.75 9.93 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 113.173 0.805 . . . . 14.29 113.173 -177.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 78.12 -21.18 0.34 Allowed 'General case' 0 C--O 1.236 0.366 0 C-N-CA 126.351 1.86 . . . . 11.55 115.158 175.165 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -67.35 144.36 55.87 Favored 'General case' 0 C--O 1.245 0.851 0 O-C-N 121.051 -1.031 . . . . 21.36 111.921 -178.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -77.59 134.07 38.31 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 114.195 -1.366 . . . . 8.98 107.327 177.931 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -100.98 109.05 20.92 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.731 -1.122 . . . . 10.45 110.73 179.777 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.557 ' SG ' ' HG2' ' A' ' 16' ' ' GLU . 58.1 m -60.48 143.13 54.16 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.195 -0.911 . . . . 9.11 110.019 174.369 -54.643 -77.622 -77.192 101.099 1.974 103.19 -74.247 -61.65 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.0 mt -67.7 -18.42 64.91 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.402 0.546 . . . . 12.6 110.968 176.603 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.2 p -78.87 -4.4 49.46 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 123.05 1.405 . . . . 10.76 110.139 173.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 114.91 -34.34 4.9 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 117.566 -3.209 . . . . 10.93 115.958 171.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.557 ' HG2' ' SG ' ' A' ' 12' ' ' CYS . 11.3 pm0 -75.94 158.8 31.57 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 120.089 1.944 . . . . 11.91 112.552 -176.135 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 85.0 m -110.99 133.54 53.31 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 112.131 -2.304 . . . . 13.84 110.093 -178.318 -59.718 -85.225 -95.925 103.199 1.997 106.186 -44.377 -71.54 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.2 pt -127.02 162.86 30.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.405 0.622 . . . . 9.89 110.424 -179.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -52.01 137.57 26.85 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.865 -0.607 . . . . 14.33 111.925 176.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 85.7 p -55.32 -33.82 63.64 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 120.821 -1.174 . . . . 10.72 111.192 -178.503 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.51 -12.66 61.83 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 114.616 -1.175 . . . . 16.06 113.673 179.522 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 37.4 m0 -89.08 -0.77 57.71 Favored 'General case' 0 N--CA 1.425 -1.716 0 O-C-N 121.189 -0.945 . . . . 11.37 111.456 -177.144 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -76.92 121.39 23.37 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 106.805 -1.554 . . . . 9.01 106.805 171.529 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 84.5 m 54.55 48.67 19.91 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 114.216 1.191 . . . . 11.31 114.216 179.875 -64.394 -39.56 -71.96 105.229 1.987 109.934 -73.857 -58.939 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 44.5 p-10 -107.14 3.67 25.99 Favored 'General case' 0 C--O 1.231 0.123 0 O-C-N 121.028 -1.045 . . . . 13.71 110.516 -179.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.92 -44.98 1.43 Allowed Glycine 0 N--CA 1.461 0.353 0 O-C-N 119.934 -1.729 . . . . 15.65 112.782 179.242 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -88.14 130.85 10.32 Favored Glycine 0 C--O 1.266 2.14 0 O-C-N 118.509 -2.76 . . . . 13.89 111.974 -177.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -66.88 122.83 10.24 Favored 'Trans proline' 0 CA--C 1.507 -0.852 0 C-N-CA 123.577 2.851 . . . . 12.56 110.583 174.142 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -110.85 -33.53 6.5 Favored 'General case' 0 C--O 1.214 -0.813 0 CA-C-O 122.159 0.981 . . . . 10.94 112.343 -178.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 73.7 m -79.13 153.97 29.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.111 -0.993 . . . . 8.98 108.444 -179.391 -61.65 -74.247 -77.192 103.19 1.974 101.099 -77.622 -54.643 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 45.7 mttp -57.55 -35.31 70.17 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 124.063 0.945 . . . . 17.22 110.415 175.537 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 51.3 p-10 -101.29 7.57 42.8 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 120.882 -1.136 . . . . 10.68 113.528 -179.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.2 mttt 58.43 20.1 7.1 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.961 1.304 . . . . 8.52 112.442 -178.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.8 p -63.38 -22.61 66.98 Favored 'General case' 0 N--CA 1.48 1.046 0 O-C-N 119.014 -2.304 . . . . 7.99 113.01 -176.309 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -66.07 -16.75 64.2 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 114.842 1.423 . . . . 8.43 114.842 176.352 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -113.56 3.29 15.64 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 122.211 1.005 . . . . 11.61 111.851 -179.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -71.47 133.9 46.19 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 121.046 -1.034 . . . . 21.26 108.523 176.055 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 63.26 37.31 11.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 123.83 1.776 . . . . 11.81 111.314 -179.777 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 77.4 m -118.98 120.67 37.93 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-N 112.56 -2.109 . . . . 11.17 107.099 174.608 -58.939 -73.857 -71.96 109.934 1.987 105.229 -39.56 -64.394 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--O 0.918 -16.364 0 CA-C-O 112.865 -3.445 . . . . 11.6 110.193 177.499 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_