data_1wkx_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 1wkx _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' ' ' GLU . . . . . . . . . . . . . 37.6 mp0 . . . . . 0 N--CA 1.514 2.728 0 N-CA-C 113.743 1.016 . . . . 29.38 113.743 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -96.11 -20.65 18.47 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 114.001 1.111 . . . . 24.78 114.001 -178.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.0 p -161.7 172.3 16.46 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 115.303 1.594 . . . . 13.13 115.303 -170.298 62.956 90.302 92.986 102.34 2.027 100.789 73.634 -179.116 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.7 -162.95 53.36 Favored Glycine 0 C--O 1.26 1.768 0 CA-C-O 121.916 0.731 . . . . 12.75 114.439 173.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 -54.25 -44.72 72.03 Favored 'General case' 0 CA--C 1.5 -0.949 0 CA-C-N 114.125 -1.038 . . . . 31.19 111.219 -175.096 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 29.4 mp0 -57.38 -29.19 63.86 Favored 'General case' 0 C--O 1.25 1.106 0 CA-C-N 114.33 -1.305 . . . . 15.12 114.374 -179.122 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -109.75 28.1 8.91 Favored 'General case' 0 CA--C 1.561 1.385 0 CA-C-O 122.485 1.136 . . . . 12.88 111.583 179.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.66 32.67 74.51 Favored Glycine 0 N--CA 1.445 -0.734 0 O-C-N 119.818 -1.801 . . . . 12.48 116.327 177.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.37 3.87 68.94 Favored Glycine 0 CA--C 1.497 -1.073 0 N-CA-C 121.162 3.225 . . . . 13.24 121.162 176.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -55.24 142.16 32.59 Favored 'General case' 0 C--O 1.259 1.589 0 C-N-CA 119.753 -0.779 . . . . 18.97 109.894 -178.553 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.4 mt -96.3 154.73 17.09 Favored 'General case' 0 C--O 1.262 1.712 0 N-CA-C 106.453 -1.684 . . . . 26.17 106.453 177.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.8 m -77.06 156.29 82.18 Favored Pre-proline 0 N--CA 1.441 -0.916 0 CA-C-N 113.835 -1.53 . . . . 16.4 108.843 179.593 -70.571 -75.527 -92.038 100.382 2.023 100.941 -74.121 -58.933 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -76.9 163.87 30.6 Favored 'Trans proline' 0 C--N 1.319 -0.992 0 O-C-N 123.418 1.22 . . . . 18.52 110.953 171.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.1 t0 52.81 38.32 26.32 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 118.202 2.668 . . . . 15.83 118.202 174.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.9 m120 58.54 21.03 8.16 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 114.474 -1.239 . . . . 16.95 113.521 178.541 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.1 mt -72.64 147.81 45.42 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 112.898 0.703 . . . . 14.51 112.898 -175.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.7 m -75.55 141.31 43.0 Favored 'General case' 0 C--O 1.255 1.394 0 C-N-CA 120.225 -0.59 . . . . 13.19 109.495 178.27 -56.807 149.996 98.66 102.766 2.036 102.699 -68.127 -59.848 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 53.4 t -96.31 112.04 23.91 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 107.042 -1.466 . . . . 12.31 107.042 177.64 -179.116 73.634 92.986 100.789 2.027 102.34 90.302 62.956 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.2 p -68.81 172.29 6.68 Favored 'General case' 0 C--O 1.256 1.444 0 O-C-N 120.819 -1.175 . . . . 11.21 112.4 -177.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.4 pt20 -56.73 -23.15 40.55 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-N 113.924 -1.489 . . . . 13.61 114.731 175.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -89.97 -5.48 56.66 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 115.146 1.535 . . . . 13.46 115.146 -178.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.7 30.34 21.44 Favored Glycine 0 C--O 1.223 -0.536 0 O-C-N 120.812 -1.18 . . . . 13.63 115.268 -179.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -123.34 152.8 41.11 Favored 'General case' 0 C--N 1.348 0.511 0 C-N-CA 123.768 0.827 . . . . 19.77 110.522 176.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 77.3 m -96.68 137.03 36.37 Favored 'General case' 0 C--O 1.242 0.681 0 N-CA-C 114.77 1.396 . . . . 15.2 114.77 -176.677 -58.933 -74.121 -92.038 100.941 2.023 100.382 -75.527 -70.571 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.1 -174.48 36.99 Favored Glycine 0 CA--C 1.498 -0.973 0 C-N-CA 119.358 -1.401 . . . . 13.98 113.096 -179.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.3 p -134.52 8.58 3.64 Favored 'General case' 0 C--O 1.245 0.841 0 N-CA-C 116.041 1.867 . . . . 14.23 116.041 -172.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.1 p -105.56 174.12 6.02 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 124.975 1.422 . . . . 19.94 108.06 178.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -52.99 -36.18 60.1 Favored 'General case' 0 C--O 1.244 0.807 0 N-CA-C 114.843 1.423 . . . . 22.19 114.843 -174.543 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.9 mp0 -60.69 -29.12 69.13 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 114.497 1.295 . . . . 29.97 114.497 178.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -94.63 -35.43 12.21 Favored 'General case' 0 C--O 1.243 0.73 0 N-CA-C 113.951 1.093 . . . . 14.57 113.951 177.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 84.1 m -100.11 -16.61 17.78 Favored 'General case' 0 CA--C 1.5 -0.949 0 N-CA-C 120.029 3.344 . . . . 12.8 120.029 -168.66 -59.848 -68.127 98.66 102.699 2.036 102.766 149.996 -56.807 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.1 t -85.31 137.89 36.72 Favored Pre-proline 0 C--N 1.322 -0.629 0 N-CA-C 114.03 1.122 . . . . 15.87 114.03 -173.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -60.18 -24.36 76.82 Favored 'Trans proline' 0 C--N 1.325 -0.659 0 O-C-N 123.123 1.065 . . . . 17.4 109.995 172.606 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -68.07 -15.15 63.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 119.6 1.091 . . . . 32.34 112.873 177.043 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -113.12 14.77 19.56 Favored 'General case' 0 C--O 1.209 -1.036 0 C-N-CA 123.55 0.74 . . . . 19.49 109.405 177.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 59.63 44.39 14.49 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 114.451 1.278 . . . . 23.78 114.451 175.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.3 t -54.17 141.26 29.74 Favored 'General case' 0 CA--C 1.565 1.524 0 CA-C-N 112.745 -2.025 . . . . 13.97 106.078 176.454 166.221 -91.773 -91.877 102.904 2.064 102.832 -64.768 -51.126 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -96.9 -31.81 12.38 Favored 'General case' 0 C--O 1.249 1.053 0 N-CA-C 116.992 2.219 . . . . 17.08 116.992 -177.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 85.9 p -162.51 156.95 21.6 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.657 -0.652 . . . . 19.36 112.404 179.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.6 m120 55.1 39.31 31.47 Favored 'General case' 0 C--O 1.242 0.696 0 O-C-N 124.414 1.071 . . . . 25.14 109.711 -176.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 34.7 m -81.7 158.45 24.23 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 115.819 1.785 . . . . 18.21 115.819 -174.086 -51.126 -64.768 -91.877 102.832 2.064 102.904 -91.773 166.221 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.0 tttt -84.16 175.74 9.26 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 108.521 -0.918 . . . . 32.03 108.521 174.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.726 0 C-N-CA 129.687 3.195 . . . . 41.18 111.701 -179.598 . . . . . . . . 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 orig full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.6 mp0 . . . . . 0 N--CA 1.514 2.728 0 N-CA-C 113.743 1.016 . . . . 29.379999999999999 113.743 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -96.11 -20.65 18.47 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 114.001 1.111 . . . . 24.780000000000001 114.001 -178.801 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.0 p -161.7 172.3 16.46 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 115.303 1.594 . . . . 13.130000000000001 115.303 -170.298 62.956 90.302 92.986 102.34 2.027 100.789 73.634 -179.116 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.7 -162.95 53.36 Favored Glycine 0 C--O 1.26 1.768 0 CA-C-O 121.916 0.731 . . . . 12.75 114.439 173.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 -54.25 -44.72 72.03 Favored 'General case' 0 CA--C 1.5 -0.949 0 CA-C-N 114.125 -1.038 . . . . 31.190000000000001 111.219 -175.096 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 29.4 mp0 -57.38 -29.19 63.86 Favored 'General case' 0 C--O 1.25 1.106 0 CA-C-N 114.33 -1.305 . . . . 15.119999999999999 114.374 -179.122 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -109.75 28.1 8.91 Favored 'General case' 0 CA--C 1.561 1.385 0 CA-C-O 122.485 1.136 . . . . 12.880000000000001 111.583 179.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.66 32.67 74.51 Favored Glycine 0 N--CA 1.445 -0.734 0 O-C-N 119.818 -1.801 . . . . 12.48 116.327 177.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.37 3.87 68.94 Favored Glycine 0 CA--C 1.497 -1.073 0 N-CA-C 121.162 3.225 . . . . 13.24 121.162 176.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -55.24 142.16 32.59 Favored 'General case' 0 C--O 1.259 1.589 0 C-N-CA 119.753 -0.779 . . . . 18.969999999999999 109.894 -178.553 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.4 mt -96.3 154.73 17.09 Favored 'General case' 0 C--O 1.262 1.712 0 N-CA-C 106.453 -1.684 . . . . 26.170000000000002 106.453 177.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.8 m -77.06 156.29 82.18 Favored Pre-proline 0 N--CA 1.441 -0.916 0 CA-C-N 113.835 -1.53 . . . . 16.399999999999999 108.843 179.593 -70.571 -75.527 -92.038 100.382 2.023 100.941 -74.121 -58.933 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -76.9 163.87 30.6 Favored 'Trans proline' 0 C--N 1.319 -0.992 0 O-C-N 123.418 1.22 . . . . 18.52 110.953 171.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.1 t0 52.81 38.32 26.32 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 118.202 2.668 . . . . 15.83 118.202 174.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.9 m120 58.54 21.03 8.16 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 114.474 -1.239 . . . . 16.949999999999999 113.521 178.541 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.1 mt -72.64 147.81 45.42 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 112.898 0.703 . . . . 14.51 112.898 -175.86 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.7 m -75.55 141.31 43.0 Favored 'General case' 0 C--O 1.255 1.394 0 C-N-CA 120.225 -0.59 . . . . 13.19 109.495 178.27 -56.807 149.996 98.66 102.766 2.036 102.699 -68.127 -59.848 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 53.4 t -96.31 112.04 23.91 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 107.042 -1.466 . . . . 12.31 107.042 177.64 -179.116 73.634 92.986 100.789 2.027 102.34 90.302 62.956 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.2 p -68.81 172.29 6.68 Favored 'General case' 0 C--O 1.256 1.444 0 O-C-N 120.819 -1.175 . . . . 11.210000000000001 112.4 -177.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.4 pt20 -56.73 -23.15 40.55 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-N 113.924 -1.489 . . . . 13.609999999999999 114.731 175.587 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -89.97 -5.48 56.66 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 115.146 1.535 . . . . 13.460000000000001 115.146 -178.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.7 30.34 21.44 Favored Glycine 0 C--O 1.223 -0.536 0 O-C-N 120.812 -1.18 . . . . 13.630000000000001 115.268 -179.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -123.34 152.8 41.11 Favored 'General case' 0 C--N 1.348 0.511 0 C-N-CA 123.768 0.827 . . . . 19.77 110.522 176.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 77.3 m -96.68 137.03 36.37 Favored 'General case' 0 C--O 1.242 0.681 0 N-CA-C 114.77 1.396 . . . . 15.199999999999999 114.77 -176.677 -58.933 -74.121 -92.038 100.941 2.023 100.382 -75.527 -70.571 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.1 -174.48 36.99 Favored Glycine 0 CA--C 1.498 -0.973 0 C-N-CA 119.358 -1.401 . . . . 13.98 113.096 -179.37 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.3 p -134.52 8.58 3.64 Favored 'General case' 0 C--O 1.245 0.841 0 N-CA-C 116.041 1.867 . . . . 14.23 116.041 -172.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.1 p -105.56 174.12 6.02 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 124.975 1.422 . . . . 19.940000000000001 108.06 178.389 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -52.99 -36.18 60.1 Favored 'General case' 0 C--O 1.244 0.807 0 N-CA-C 114.843 1.423 . . . . 22.190000000000001 114.843 -174.543 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.9 mp0 -60.69 -29.12 69.13 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 114.497 1.295 . . . . 29.969999999999999 114.497 178.363 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -94.63 -35.43 12.21 Favored 'General case' 0 C--O 1.243 0.73 0 N-CA-C 113.951 1.093 . . . . 14.57 113.951 177.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 84.1 m -100.11 -16.61 17.78 Favored 'General case' 0 CA--C 1.5 -0.949 0 N-CA-C 120.029 3.344 . . . . 12.800000000000001 120.029 -168.66 -59.848 -68.127 98.66 102.699 2.036 102.766 149.996 -56.807 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.1 t -85.31 137.89 36.72 Favored Pre-proline 0 C--N 1.322 -0.629 0 N-CA-C 114.03 1.122 . . . . 15.869999999999999 114.03 -173.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -60.18 -24.36 76.82 Favored 'Trans proline' 0 C--N 1.325 -0.659 0 O-C-N 123.123 1.065 . . . . 17.399999999999999 109.995 172.606 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -68.07 -15.15 63.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 119.6 1.091 . . . . 32.340000000000003 112.873 177.043 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -113.12 14.77 19.56 Favored 'General case' 0 C--O 1.209 -1.036 0 C-N-CA 123.55 0.74 . . . . 19.489999999999998 109.405 177.253 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 59.63 44.39 14.49 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 114.451 1.278 . . . . 23.780000000000001 114.451 175.75 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.3 t -54.17 141.26 29.74 Favored 'General case' 0 CA--C 1.565 1.524 0 CA-C-N 112.745 -2.025 . . . . 13.970000000000001 106.078 176.454 166.221 -91.773 -91.877 102.904 2.064 102.832 -64.768 -51.126 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -96.9 -31.81 12.38 Favored 'General case' 0 C--O 1.249 1.053 0 N-CA-C 116.992 2.219 . . . . 17.079999999999998 116.992 -177.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 85.9 p -162.51 156.95 21.6 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.657 -0.652 . . . . 19.359999999999999 112.404 179.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.6 m120 55.1 39.31 31.47 Favored 'General case' 0 C--O 1.242 0.696 0 O-C-N 124.414 1.071 . . . . 25.140000000000001 109.711 -176.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 34.7 m -81.7 158.45 24.23 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 115.819 1.785 . . . . 18.210000000000001 115.819 -174.086 -51.126 -64.768 -91.877 102.832 2.064 102.904 -91.773 166.221 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.0 tttt -84.16 175.74 9.26 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 108.521 -0.918 . . . . 32.030000000000001 108.521 174.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.726 0 C-N-CA 129.687 3.195 . . . . 41.18 111.701 -179.598 . . . . . . . . 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 build full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.6 mp0 . . . . . 0 N--CA 1.514 2.728 0 N-CA-C 113.743 1.016 . . . . 29.38 113.743 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -96.11 -20.65 18.47 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 114.001 1.111 . . . . 24.78 114.001 -178.801 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.0 p -161.7 172.3 16.46 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 115.303 1.594 . . . . 13.13 115.303 -170.298 62.956 90.302 92.986 102.34 2.027 100.789 73.634 -179.116 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.7 -162.95 53.36 Favored Glycine 0 C--O 1.26 1.768 0 CA-C-O 121.916 0.731 . . . . 12.75 114.439 173.146 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 -54.25 -44.72 72.03 Favored 'General case' 0 CA--C 1.5 -0.949 0 CA-C-N 114.125 -1.038 . . . . 31.19 111.219 -175.096 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 29.4 mp0 -57.38 -29.19 63.86 Favored 'General case' 0 C--O 1.25 1.106 0 CA-C-N 114.33 -1.305 . . . . 15.12 114.374 -179.122 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -109.75 28.1 8.91 Favored 'General case' 0 CA--C 1.561 1.385 0 CA-C-O 122.485 1.136 . . . . 12.88 111.583 179.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.66 32.67 74.51 Favored Glycine 0 N--CA 1.445 -0.734 0 O-C-N 119.818 -1.801 . . . . 12.48 116.327 177.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.37 3.87 68.94 Favored Glycine 0 CA--C 1.497 -1.073 0 N-CA-C 121.162 3.225 . . . . 13.24 121.162 176.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -55.24 142.16 32.59 Favored 'General case' 0 C--O 1.259 1.589 0 C-N-CA 119.753 -0.779 . . . . 18.97 109.894 -178.553 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.4 mt -96.3 154.73 17.09 Favored 'General case' 0 C--O 1.262 1.712 0 N-CA-C 106.453 -1.684 . . . . 26.17 106.453 177.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.8 m -77.06 156.29 82.18 Favored Pre-proline 0 N--CA 1.441 -0.916 0 CA-C-N 113.835 -1.53 . . . . 16.4 108.843 179.593 -70.571 -75.527 -92.038 100.382 2.023 100.941 -74.121 -58.933 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -76.9 163.87 30.6 Favored 'Trans proline' 0 C--N 1.319 -0.992 0 O-C-N 123.418 1.22 . . . . 18.52 110.953 171.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.1 t0 52.81 38.32 26.32 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 118.202 2.668 . . . . 15.83 118.202 174.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.9 m120 58.54 21.03 8.16 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 114.474 -1.239 . . . . 16.95 113.521 178.541 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.1 mt -72.64 147.81 45.42 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 112.898 0.703 . . . . 14.51 112.898 -175.86 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.7 m -75.55 141.31 43.0 Favored 'General case' 0 C--O 1.255 1.394 0 C-N-CA 120.225 -0.59 . . . . 13.19 109.495 178.27 -56.807 149.996 98.66 102.766 2.036 102.699 -68.127 -59.848 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 53.4 t -96.31 112.04 23.91 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 107.042 -1.466 . . . . 12.31 107.042 177.64 -179.116 73.634 92.986 100.789 2.027 102.34 90.302 62.956 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.2 p -68.81 172.29 6.68 Favored 'General case' 0 C--O 1.256 1.444 0 O-C-N 120.819 -1.175 . . . . 11.21 112.4 -177.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.4 pt20 -56.73 -23.15 40.55 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-N 113.924 -1.489 . . . . 13.61 114.731 175.587 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -89.97 -5.48 56.66 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 115.146 1.535 . . . . 13.46 115.146 -178.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.7 30.34 21.44 Favored Glycine 0 C--O 1.223 -0.536 0 O-C-N 120.812 -1.18 . . . . 13.63 115.268 -179.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -123.34 152.8 41.11 Favored 'General case' 0 C--N 1.348 0.511 0 C-N-CA 123.768 0.827 . . . . 19.77 110.522 176.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 77.3 m -96.68 137.03 36.37 Favored 'General case' 0 C--O 1.242 0.681 0 N-CA-C 114.77 1.396 . . . . 15.2 114.77 -176.677 -58.933 -74.121 -92.038 100.941 2.023 100.382 -75.527 -70.571 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.1 -174.48 36.99 Favored Glycine 0 CA--C 1.498 -0.973 0 C-N-CA 119.358 -1.401 . . . . 13.98 113.096 -179.37 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.3 p -134.52 8.58 3.64 Favored 'General case' 0 C--O 1.245 0.841 0 N-CA-C 116.041 1.867 . . . . 14.23 116.041 -172.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.1 p -105.56 174.12 6.02 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 124.975 1.422 . . . . 19.94 108.06 178.389 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -52.99 -36.18 60.1 Favored 'General case' 0 C--O 1.244 0.807 0 N-CA-C 114.843 1.423 . . . . 22.19 114.843 -174.543 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.9 mp0 -60.69 -29.12 69.13 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 114.497 1.295 . . . . 29.97 114.497 178.363 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -94.63 -35.43 12.21 Favored 'General case' 0 C--O 1.243 0.73 0 N-CA-C 113.951 1.093 . . . . 14.57 113.951 177.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 84.1 m -100.11 -16.61 17.78 Favored 'General case' 0 CA--C 1.5 -0.949 0 N-CA-C 120.029 3.344 . . . . 12.8 120.029 -168.66 -59.848 -68.127 98.66 102.699 2.036 102.766 149.996 -56.807 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.1 t -85.31 137.89 36.72 Favored Pre-proline 0 C--N 1.322 -0.629 0 N-CA-C 114.03 1.122 . . . . 15.87 114.03 -173.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -60.18 -24.36 76.82 Favored 'Trans proline' 0 C--N 1.325 -0.659 0 O-C-N 123.123 1.065 . . . . 17.4 109.995 172.606 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -68.07 -15.15 63.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 119.6 1.091 . . . . 32.34 112.873 177.043 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -113.12 14.77 19.56 Favored 'General case' 0 C--O 1.209 -1.036 0 C-N-CA 123.55 0.74 . . . . 19.49 109.405 177.253 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 59.63 44.39 14.49 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 114.451 1.278 . . . . 23.78 114.451 175.75 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.3 t -54.17 141.26 29.74 Favored 'General case' 0 CA--C 1.565 1.524 0 CA-C-N 112.745 -2.025 . . . . 13.97 106.078 176.454 166.221 -91.773 -91.877 102.904 2.064 102.832 -64.768 -51.126 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -96.9 -31.81 12.38 Favored 'General case' 0 C--O 1.249 1.053 0 N-CA-C 116.992 2.219 . . . . 17.08 116.992 -177.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 85.9 p -162.51 156.95 21.6 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.657 -0.652 . . . . 19.36 112.404 179.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.6 m120 55.1 39.31 31.47 Favored 'General case' 0 C--O 1.242 0.696 0 O-C-N 124.414 1.071 . . . . 25.14 109.711 -176.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 34.7 m -81.7 158.45 24.23 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 115.819 1.785 . . . . 18.21 115.819 -174.086 -51.126 -64.768 -91.877 102.832 2.064 102.904 -91.773 166.221 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.0 tttt -84.16 175.74 9.26 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 108.521 -0.918 . . . . 32.03 108.521 174.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.726 0 C-N-CA 129.687 3.195 . . . . 41.18 111.701 -179.598 . . . . . . . . 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 . 001 ecloud nobuild full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_