data_4ggr_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 4ggr _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 ' 7' ' ' LEU . . . . . . . . . . . . . 22.8 tp . . . . . 0 N--CA 1.5 2.049 0 N-CA-C 111.92 0.341 . . . . 47.68 111.92 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -71.34 139.89 35.81 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.213 1.942 . . . . 42.35 110.106 -179.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -142.58 134.96 13.5 Favored Pre-proline 0 C--N 1.329 -0.321 0 O-C-N 123.168 0.292 . . . . 38.65 110.415 175.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -71.01 157.28 95.68 Favored 'Cis proline' 0 N--CA 1.451 -1.017 0 O-C-N 122.798 0.894 . . . . 34.49 112.082 -6.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.3 p -159.51 164.49 34.34 Favored 'General case' 0 CA--C 1.483 -1.63 0 N-CA-C 106.167 -1.79 . . . . 30.97 106.167 176.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' TYR . . . . . 0.452 ' O ' ' O ' ' A' ' 111' ' ' VAL . 74.3 t80 -140.14 126.22 19.74 Favored 'General case' 0 N--CA 1.421 -1.904 0 N-CA-C 103.074 -2.936 . . . . 37.72 103.074 -174.512 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 12.1 m95 -126.14 150.63 48.13 Favored 'General case' 0 N--CA 1.457 -0.094 0 O-C-N 125.005 1.44 . . . . 28.26 109.155 -177.071 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -132.19 139.01 48.2 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 108.098 -1.075 . . . . 44.79 108.098 179.351 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 51.8 p30 -88.73 -176.52 5.27 Favored 'General case' 0 CA--C 1.496 -1.13 0 N-CA-C 108.462 -0.94 . . . . 30.75 108.462 176.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLU . . . . . 0.561 ' CG ' ' O ' ' A' ' 208' ' ' HOH . 0.7 OUTLIER -73.02 -13.56 61.24 Favored 'General case' 0 CA--C 1.514 -0.406 0 O-C-N 124.166 0.916 . . . . 46.58 110.529 -174.706 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.3 mtt-85 -92.03 -10.92 37.42 Favored 'General case' 0 C--O 1.211 -0.958 0 N-CA-C 109.824 -0.436 . . . . 45.47 109.824 -178.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.8 0.03 57.69 Favored Glycine 0 C--O 1.226 -0.374 0 C-N-CA 120.024 -1.084 . . . . 29.82 114.07 -177.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.4 m -68.18 148.06 51.4 Favored 'General case' 0 CA--C 1.498 -1.05 0 N-CA-C 108.414 -0.958 . . . . 28.2 108.414 177.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . 0.474 ' OE1' ' CE1' ' A' ' 38' ' ' HIS . 13.8 mt-10 -117.53 143.91 45.62 Favored 'General case' 0 C--O 1.247 0.921 0 C-N-CA 119.28 -0.968 . . . . 38.49 109.992 -172.299 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 42.1 tp -130.09 115.4 17.02 Favored 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 124.312 1.008 . . . . 30.37 108.336 175.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.64 119.98 39.99 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 106.971 -1.492 . . . . 32.15 106.971 175.67 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.7 mt -98.0 124.53 51.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 107.755 -1.202 . . . . 37.94 107.755 177.138 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 84.3 m95 -90.0 -39.99 12.61 Favored 'General case' 0 C--O 1.221 -0.395 0 O-C-N 123.82 0.7 . . . . 37.62 111.547 179.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.6 p -160.55 158.97 30.03 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 109.884 -0.413 . . . . 41.76 109.884 -176.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -144.64 34.41 1.15 Allowed 'General case' 0 C--O 1.241 0.606 0 C-N-CA 124.402 1.081 . . . . 48.53 108.844 175.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -47.44 -52.7 16.2 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 116.901 2.185 . . . . 60.34 116.901 -160.977 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.19 65.41 1.53 Allowed 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 105.984 -1.858 . . . . 54.19 105.984 -178.035 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.44 3.68 58.6 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 114.183 -1.371 . . . . 50.79 115.497 174.527 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 80.7 p -116.75 108.51 15.98 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 109.209 -0.663 . . . . 47.38 109.209 -177.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -84.49 143.26 12.1 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.635 0 C-N-CA 120.229 -0.588 . . . . 45.72 109.734 -172.545 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -128.46 134.35 48.72 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 107.55 -1.278 . . . . 47.42 107.55 171.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.26 -179.28 28.62 Favored Glycine 0 N--CA 1.43 -1.763 0 C-N-CA 118.607 -1.758 . . . . 33.29 110.549 -167.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.3 m -133.23 136.65 45.72 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 105.766 -1.939 . . . . 30.43 105.766 172.24 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -129.45 137.72 51.02 Favored 'General case' 0 C--O 1.244 0.809 0 N-CA-C 107.365 -1.346 . . . . 27.93 107.365 -175.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' THR . . . . . 0.4 ' CG2' ' O ' ' A' ' 202' ' ' HOH . 0.1 OUTLIER -132.31 130.26 40.58 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 118.709 -1.196 . . . . 35.1 109.904 172.441 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -82.14 139.49 34.32 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.157 -0.929 . . . . 34.22 109.575 -177.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' HIS . . . . . 0.474 ' CE1' ' OE1' ' A' ' 20' ' ' GLU . 38.2 m80 -139.49 11.32 2.52 Favored 'General case' 0 C--O 1.248 1.025 0 N-CA-C 108.825 -0.805 . . . . 36.1 108.825 173.148 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.59 126.91 30.42 Favored 'General case' 0 CA--C 1.509 -0.607 0 O-C-N 124.175 0.922 . . . . 39.87 108.57 -176.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.57 138.21 57.78 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 119.985 -0.686 . . . . 54.07 109.385 178.11 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.68 14.0 75.07 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 115.631 1.012 . . . . 46.19 115.631 178.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -116.82 146.8 42.63 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 107.552 -1.277 . . . . 45.66 107.552 165.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.61 175.52 10.1 Favored 'General case' 0 CA--C 1.518 -0.271 0 O-C-N 123.284 0.365 . . . . 44.75 111.863 -171.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 95.7 m 57.0 35.49 26.5 Favored 'General case' 0 C--N 1.334 -0.078 0 N-CA-C 113.741 1.015 . . . . 46.99 113.741 -177.134 -68.944 111.075 -141.802 104.438 2.069 108.034 -89.952 40.007 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -65.39 129.6 40.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.318 -0.401 . . . . 44.4 110.657 175.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.17 -14.16 63.97 Favored Glycine 0 C--O 1.221 -0.706 0 N-CA-C 114.987 0.755 . . . . 39.82 114.987 170.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.283 0.2 OUTLIER -100.64 123.52 45.61 Favored Pre-proline 0 C--O 1.243 0.732 0 N-CA-C 113.42 0.896 . . . . 38.61 113.42 178.604 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -74.06 140.37 28.19 Favored 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 123.234 2.623 . . . . 35.44 112.01 -177.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -136.73 148.44 63.43 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 108.027 -1.101 . . . . 33.91 108.027 -178.007 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -61.56 139.4 81.33 Favored 'Trans proline' 0 N--CA 1.451 -0.993 0 N-CA-C 109.736 -0.909 . . . . 30.04 109.736 177.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -111.32 131.32 55.25 Favored 'General case' 0 C--O 1.214 -0.772 0 N-CA-C 105.098 -2.186 . . . . 31.74 105.098 171.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -131.92 150.78 52.06 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 118.488 0.586 . . . . 32.31 109.768 178.724 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 174.61 -160.66 30.08 Favored Glycine 0 CA--C 1.495 -1.161 0 C-N-CA 118.937 -1.602 . . . . 35.83 113.749 179.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.7 m -138.5 146.92 42.57 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 114.904 -0.648 . . . . 41.37 110.783 -175.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.2 p -123.62 146.11 29.56 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 N-CA-C 106.805 -1.554 . . . . 47.44 106.805 176.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.1 p -164.15 178.37 1.47 Allowed Pre-proline 0 C--O 1.248 0.999 0 O-C-N 122.21 -0.306 . . . . 52.16 110.404 175.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -37.06 -58.21 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 124.42 3.413 . . . . 52.01 111.557 169.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' THR . . . . . 0.429 ' O ' ' CG2' ' A' ' 58' ' ' THR . 7.2 m -57.49 -13.78 4.12 Favored 'General case' 0 CA--C 1.554 1.104 0 N-CA-C 118.334 2.716 . . . . 50.67 118.334 179.797 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 129.43 -149.16 18.57 Favored Glycine 0 N--CA 1.465 0.629 0 N-CA-C 109.617 -1.393 . . . . 45.35 109.617 -177.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -149.74 161.35 42.39 Favored 'General case' 0 CA--C 1.51 -0.561 0 CA-C-O 121.326 0.584 . . . . 38.4 112.505 -179.522 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -144.16 151.44 39.54 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 107.036 -1.468 . . . . 36.56 107.036 170.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -143.28 152.06 41.25 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.647 -0.871 . . . . 27.98 108.647 170.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.5 p -126.16 142.35 43.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 107.205 -1.406 . . . . 26.39 107.205 -176.648 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 86.3 t -136.22 127.65 43.59 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.085 0 N-CA-C 104.691 -2.337 . . . . 23.32 104.691 -179.296 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 22.5 p -107.82 118.96 38.1 Favored 'General case' 0 CA--C 1.488 -1.405 0 N-CA-C 107.259 -1.385 . . . . 34.99 107.259 178.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -86.72 77.25 9.36 Favored 'General case' 0 N--CA 1.425 -1.695 0 N-CA-C 106.621 -1.622 . . . . 33.66 106.621 -179.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ALA . . . . . 0.419 ' O ' ' CB ' ' A' ' 68' ' ' GLN . . . -57.68 136.7 56.88 Favored 'General case' 0 CA--C 1.491 -1.322 0 N-CA-C 106.635 -1.617 . . . . 39.49 106.635 -176.612 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLN . . . . . 0.419 ' CB ' ' O ' ' A' ' 67' ' ' ALA . 0.0 OUTLIER 87.17 -6.84 0.65 Allowed 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 115.468 1.655 . . . . 53.71 115.468 179.732 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.7 p -115.63 18.4 15.84 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 116.908 -1.917 . . . . 50.8 109.086 142.347 40.007 -89.952 -141.802 108.034 2.069 104.438 111.075 -68.944 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 35.6 m120 46.25 62.74 2.14 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 121.583 0.706 . . . . 39.84 112.471 171.221 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 90.5 p -160.75 161.12 32.05 Favored 'General case' 0 CA--C 1.501 -0.921 0 N-CA-C 108.148 -1.056 . . . . 33.48 108.148 177.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -141.66 153.28 44.61 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 108.739 -0.838 . . . . 33.07 108.739 169.331 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 74.3 m -122.69 142.08 51.08 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 108.833 -0.802 . . . . 24.45 108.833 173.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -112.57 132.73 54.98 Favored 'General case' 0 C--O 1.248 1.012 0 N-CA-C 106.322 -1.732 . . . . 38.95 106.322 171.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 14.7 m-90 -108.89 139.7 43.37 Favored 'General case' 0 CA--C 1.504 -0.819 0 N-CA-C 105.185 -2.154 . . . . 24.57 105.185 174.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.1 p -131.62 143.6 39.94 Favored 'Isoleucine or valine' 0 C--O 1.243 0.716 0 N-CA-C 106.071 -1.826 . . . . 26.38 106.071 172.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 179.47 -156.41 18.24 Favored Glycine 0 N--CA 1.47 0.927 0 N-CA-C 114.645 0.618 . . . . 31.33 114.645 -173.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . 0.289 0.1 OUTLIER -145.79 171.78 14.27 Favored 'General case' 0 CA--C 1.487 -1.468 0 C-N-CA 123.738 0.815 . . . . 37.13 108.846 175.974 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 9.0 mt -109.44 131.91 59.02 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.237 0 O-C-N 124.137 0.898 . . . . 44.01 111.887 169.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -131.04 97.18 4.23 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-O 121.578 0.704 . . . . 51.67 109.395 176.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 63.16 -114.29 6.74 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 114.455 -1.248 . . . . 39.85 110.92 -172.512 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 41.9 t -94.54 2.82 55.67 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.672 1.189 . . . . 41.27 111.673 -174.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -126.71 146.2 50.3 Favored 'General case' 0 C--O 1.213 -0.837 0 O-C-N 122.161 -0.337 . . . . 47.8 110.792 -172.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 24.9 ttm -132.78 92.36 26.81 Favored Pre-proline 0 C--O 1.234 0.246 0 N-CA-C 108.065 -1.087 . . . . 32.54 108.065 -178.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -77.67 141.95 20.02 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 N-CA-C 108.429 -1.412 . . . . 28.86 108.429 179.167 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.5 p -142.06 156.57 45.41 Favored 'General case' 0 C--O 1.266 1.969 0 CA-C-O 121.977 0.894 . . . . 27.78 110.446 -176.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' SER . . . . . 0.506 ' OG ' ' O ' ' A' ' 224' ' ' HOH . 0.5 OUTLIER -111.71 143.41 42.68 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.933 -1.031 . . . . 27.38 109.217 158.744 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 63.1 p-90 -127.45 155.02 44.36 Favored 'General case' 0 CA--C 1.513 -0.464 0 C-N-CA 119.615 -0.834 . . . . 26.41 112.159 -178.777 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.3 p -130.89 126.31 35.83 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.547 -0.908 . . . . 35.3 108.547 170.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.4 tp -105.02 133.93 48.97 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 108.134 -1.061 . . . . 31.78 108.134 -179.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -118.77 134.14 55.35 Favored 'General case' 0 CA--C 1.501 -0.94 0 N-CA-C 106.513 -1.662 . . . . 37.35 106.513 173.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -151.51 177.91 9.84 Favored 'General case' 0 C--O 1.233 0.193 0 O-C-N 124.126 0.891 . . . . 43.64 110.491 175.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 20.4 t -118.22 125.47 74.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 104.703 -2.332 . . . . 44.05 104.703 177.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -68.72 -177.67 1.02 Allowed 'General case' 0 CA--C 1.541 0.606 0 O-C-N 123.349 0.405 . . . . 55.09 111.832 177.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -77.08 -14.26 59.84 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 116.322 1.971 . . . . 58.12 116.322 -175.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.34 0.32 57.44 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 123.877 0.871 . . . . 58.1 109.943 174.321 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 86.95 17.37 59.65 Favored Glycine 0 N--CA 1.465 0.628 0 N-CA-C 115.657 1.023 . . . . 48.35 115.657 177.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.89 127.93 37.39 Favored Pre-proline 0 N--CA 1.449 -0.514 0 C-N-CA 119.719 -0.792 . . . . 52.35 110.965 177.623 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -58.37 136.44 74.47 Favored 'Trans proline' 0 N--CA 1.44 -1.669 0 C-N-CA 124.661 3.574 . . . . 41.95 110.546 171.175 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.7 m -142.56 145.64 33.8 Favored 'General case' 0 N--CA 1.437 -1.091 0 N-CA-C 107.483 -1.303 . . . . 41.27 107.483 -172.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.4 ptt-85 -128.92 155.86 44.63 Favored 'General case' 0 N--CA 1.435 -1.189 0 C-N-CA 119.214 -0.994 . . . . 53.94 111.291 174.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.4 tp -141.29 143.7 34.23 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 106.193 -1.78 . . . . 42.43 106.193 -176.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.6 mtpp -130.79 155.59 46.43 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 119.627 -0.829 . . . . 42.25 110.898 -178.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -175.36 -175.65 42.98 Favored Glycine 0 CA--C 1.5 -0.85 0 N-CA-C 110.352 -1.099 . . . . 29.02 110.352 -177.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -123.36 157.91 17.9 Favored Glycine 0 C--O 1.221 -0.686 0 N-CA-C 108.425 -1.87 . . . . 29.46 108.425 -179.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -145.17 144.94 31.15 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 105.838 -1.912 . . . . 36.09 105.838 178.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 59.8 mt -122.12 116.84 50.41 Favored 'Isoleucine or valine' 0 C--O 1.241 0.651 0 N-CA-C 105.678 -1.971 . . . . 28.17 105.678 164.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -93.74 136.73 33.72 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 104.967 -2.234 . . . . 26.87 104.967 176.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 45.1 p -124.58 140.62 52.78 Favored 'General case' 0 CA--C 1.501 -0.941 0 C-N-CA 118.18 -1.408 . . . . 34.66 107.985 174.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.35 130.06 42.34 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-N 115.114 -0.948 . . . . 43.05 110.809 -177.089 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' VAL . . . . . 0.461 ' O ' ' OXT' ' A' ' 112' ' ' TRP . 21.3 t -114.27 116.23 51.96 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 1 N-CA-C 98.842 -4.503 . . . . 36.23 98.842 165.565 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' TRP . . . . . 0.461 ' OXT' ' O ' ' A' ' 111' ' ' VAL 0.258 1.6 p-90 . . . . . 0 C--N 1.312 -1.062 0 N-CA-C 118.122 2.638 . . . . 33.07 118.122 -178.501 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . 0.4 ' O ' ' CG2' ' A' ' 36' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . 0.561 ' O ' ' CG ' ' A' ' 16' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . 0.506 ' O ' ' OG ' ' A' ' 87' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LEU . . . . . 0.534 HD23 ' HB2' ' A' ' 26' ' ' ALA . 22.8 tp . . . . . 0 N--CA 1.5 2.049 0 N-CA-C 111.92 0.341 . . . . 47.68 111.92 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -71.34 139.89 35.81 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.213 1.942 . . . . 42.350000000000001 110.106 -179.727 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -142.58 134.96 13.5 Favored Pre-proline 0 C--N 1.329 -0.321 0 O-C-N 123.168 0.292 . . . . 38.649999999999999 110.415 175.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' PRO . . . . . 0.442 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 34.3 Cg_exo -71.01 157.28 95.68 Favored 'Cis proline' 0 N--CA 1.451 -1.017 0 O-C-N 122.798 0.894 . . . . 34.490000000000002 112.082 -6.65 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.3 p -159.51 164.49 34.34 Favored 'General case' 0 CA--C 1.483 -1.63 0 N-CA-C 106.167 -1.79 . . . . 30.969999999999999 106.167 176.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' TYR . . . . . 0.452 ' O ' ' O ' ' A' ' 111' ' ' VAL . 74.3 t80 -140.14 126.22 19.74 Favored 'General case' 0 N--CA 1.421 -1.904 0 N-CA-C 103.074 -2.936 . . . . 37.719999999999999 103.074 -174.512 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' TRP . . . . . 0.501 ' HE1' HD12 ' A' ' 23' ' ' ILE . 12.1 m95 -126.14 150.63 48.13 Favored 'General case' 0 N--CA 1.457 -0.094 0 O-C-N 125.005 1.44 . . . . 28.260000000000002 109.155 -177.071 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -132.19 139.01 48.2 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 108.098 -1.075 . . . . 44.789999999999999 108.098 179.351 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 51.8 p30 -88.73 -176.52 5.27 Favored 'General case' 0 CA--C 1.496 -1.13 0 N-CA-C 108.462 -0.94 . . . . 30.75 108.462 176.619 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLU . . . . . 1.012 ' HG3' ' O ' ' A' ' 208' ' ' HOH . 0.7 OUTLIER -73.02 -13.56 61.24 Favored 'General case' 0 CA--C 1.514 -0.406 0 O-C-N 124.166 0.916 . . . . 46.579999999999998 110.529 -174.706 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.3 mtt-85 -92.03 -10.92 37.42 Favored 'General case' 0 C--O 1.211 -0.958 0 N-CA-C 109.824 -0.436 . . . . 45.469999999999999 109.824 -178.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.8 0.03 57.69 Favored Glycine 0 C--O 1.226 -0.374 0 C-N-CA 120.024 -1.084 . . . . 29.82 114.07 -177.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.4 m -68.18 148.06 51.4 Favored 'General case' 0 CA--C 1.498 -1.05 0 N-CA-C 108.414 -0.958 . . . . 28.199999999999999 108.414 177.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -117.53 143.91 45.62 Favored 'General case' 0 C--O 1.247 0.921 0 C-N-CA 119.28 -0.968 . . . . 38.490000000000002 109.992 -172.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 42.1 tp -130.09 115.4 17.02 Favored 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 124.312 1.008 . . . . 30.370000000000001 108.336 175.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.64 119.98 39.99 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 106.971 -1.492 . . . . 32.149999999999999 106.971 175.67 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ILE . . . . . 0.501 HD12 ' HE1' ' A' ' 13' ' ' TRP . 45.7 mt -98.0 124.53 51.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 107.755 -1.202 . . . . 37.939999999999998 107.755 177.138 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 84.3 m95 -90.0 -39.99 12.61 Favored 'General case' 0 C--O 1.221 -0.395 0 O-C-N 123.82 0.7 . . . . 37.619999999999997 111.547 179.212 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.6 p -160.55 158.97 30.03 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 109.884 -0.413 . . . . 41.759999999999998 109.884 -176.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ALA . . . . . 0.534 ' HB2' HD23 ' A' ' 7' ' ' LEU . . . -144.64 34.41 1.15 Allowed 'General case' 0 C--O 1.241 0.606 0 C-N-CA 124.402 1.081 . . . . 48.530000000000001 108.844 175.932 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -47.44 -52.7 16.2 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 116.901 2.185 . . . . 60.340000000000003 116.901 -160.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.19 65.41 1.53 Allowed 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 105.984 -1.858 . . . . 54.189999999999998 105.984 -178.035 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.44 3.68 58.6 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 114.183 -1.371 . . . . 50.789999999999999 115.497 174.527 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 80.7 p -116.75 108.51 15.98 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 109.209 -0.663 . . . . 47.380000000000003 109.209 -177.177 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -84.49 143.26 12.1 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.635 0 C-N-CA 120.229 -0.588 . . . . 45.719999999999999 109.734 -172.545 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -128.46 134.35 48.72 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 107.55 -1.278 . . . . 47.420000000000002 107.55 171.579 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.26 -179.28 28.62 Favored Glycine 0 N--CA 1.43 -1.763 0 C-N-CA 118.607 -1.758 . . . . 33.289999999999999 110.549 -167.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.3 m -133.23 136.65 45.72 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 105.766 -1.939 . . . . 30.43 105.766 172.24 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -129.45 137.72 51.02 Favored 'General case' 0 C--O 1.244 0.809 0 N-CA-C 107.365 -1.346 . . . . 27.93 107.365 -175.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 202' ' ' HOH . 0.1 OUTLIER -132.31 130.26 40.58 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 118.709 -1.196 . . . . 35.100000000000001 109.904 172.441 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -82.14 139.49 34.32 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.157 -0.929 . . . . 34.219999999999999 109.575 -177.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -139.49 11.32 2.52 Favored 'General case' 0 C--O 1.248 1.025 0 N-CA-C 108.825 -0.805 . . . . 36.100000000000001 108.825 173.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.59 126.91 30.42 Favored 'General case' 0 CA--C 1.509 -0.607 0 O-C-N 124.175 0.922 . . . . 39.869999999999997 108.57 -176.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.57 138.21 57.78 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 119.985 -0.686 . . . . 54.07 109.385 178.11 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.68 14.0 75.07 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 115.631 1.012 . . . . 46.189999999999998 115.631 178.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -116.82 146.8 42.63 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 107.552 -1.277 . . . . 45.659999999999997 107.552 165.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.61 175.52 10.1 Favored 'General case' 0 CA--C 1.518 -0.271 0 O-C-N 123.284 0.365 . . . . 44.75 111.863 -171.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 95.7 m 57.0 35.49 26.5 Favored 'General case' 0 C--N 1.334 -0.078 0 N-CA-C 113.741 1.015 . . . . 46.990000000000002 113.741 -177.134 -68.944 111.075 -141.802 104.438 2.069 108.034 -89.952 40.007 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -65.39 129.6 40.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.318 -0.401 . . . . 44.399999999999999 110.657 175.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.17 -14.16 63.97 Favored Glycine 0 C--O 1.221 -0.706 0 N-CA-C 114.987 0.755 . . . . 39.82 114.987 170.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ILE . . . . . 0.455 ' HA ' ' HD3' ' A' ' 48' ' ' PRO 0.283 0.2 OUTLIER -100.64 123.52 45.61 Favored Pre-proline 0 C--O 1.243 0.732 0 N-CA-C 113.42 0.896 . . . . 38.609999999999999 113.42 178.604 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 48' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 47' ' ' ILE . 11.8 Cg_exo -74.06 140.37 28.19 Favored 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 123.234 2.623 . . . . 35.439999999999998 112.01 -177.823 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -136.73 148.44 63.43 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 108.027 -1.101 . . . . 33.909999999999997 108.027 -178.007 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -61.56 139.4 81.33 Favored 'Trans proline' 0 N--CA 1.451 -0.993 0 N-CA-C 109.736 -0.909 . . . . 30.039999999999999 109.736 177.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -111.32 131.32 55.25 Favored 'General case' 0 C--O 1.214 -0.772 0 N-CA-C 105.098 -2.186 . . . . 31.739999999999998 105.098 171.647 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -131.92 150.78 52.06 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 118.488 0.586 . . . . 32.310000000000002 109.768 178.724 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 174.61 -160.66 30.08 Favored Glycine 0 CA--C 1.495 -1.161 0 C-N-CA 118.937 -1.602 . . . . 35.829999999999998 113.749 179.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.7 m -138.5 146.92 42.57 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 114.904 -0.648 . . . . 41.369999999999997 110.783 -175.413 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.2 p -123.62 146.11 29.56 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 N-CA-C 106.805 -1.554 . . . . 47.439999999999998 106.805 176.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' SER . . . . . 0.797 ' HB2' ' HD2' ' A' ' 57' ' ' PRO . 39.1 p -164.15 178.37 1.47 Allowed Pre-proline 0 C--O 1.248 0.999 0 O-C-N 122.21 -0.306 . . . . 52.159999999999997 110.404 175.843 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' PRO . . . . . 0.797 ' HD2' ' HB2' ' A' ' 56' ' ' SER . 5.2 Cg_exo -37.06 -58.21 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 124.42 3.413 . . . . 52.009999999999998 111.557 169.729 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' THR . . . . . 0.429 ' O ' ' CG2' ' A' ' 58' ' ' THR . 7.2 m -57.49 -13.78 4.12 Favored 'General case' 0 CA--C 1.554 1.104 0 N-CA-C 118.334 2.716 . . . . 50.670000000000002 118.334 179.797 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 129.43 -149.16 18.57 Favored Glycine 0 N--CA 1.465 0.629 0 N-CA-C 109.617 -1.393 . . . . 45.350000000000001 109.617 -177.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -149.74 161.35 42.39 Favored 'General case' 0 CA--C 1.51 -0.561 0 CA-C-O 121.326 0.584 . . . . 38.399999999999999 112.505 -179.522 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -144.16 151.44 39.54 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 107.036 -1.468 . . . . 36.560000000000002 107.036 170.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -143.28 152.06 41.25 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.647 -0.871 . . . . 27.98 108.647 170.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.5 p -126.16 142.35 43.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 107.205 -1.406 . . . . 26.390000000000001 107.205 -176.648 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 86.3 t -136.22 127.65 43.59 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.085 0 N-CA-C 104.691 -2.337 . . . . 23.32 104.691 -179.296 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 22.5 p -107.82 118.96 38.1 Favored 'General case' 0 CA--C 1.488 -1.405 0 N-CA-C 107.259 -1.385 . . . . 34.990000000000002 107.259 178.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -86.72 77.25 9.36 Favored 'General case' 0 N--CA 1.425 -1.695 0 N-CA-C 106.621 -1.622 . . . . 33.659999999999997 106.621 -179.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ALA . . . . . 0.419 ' O ' ' CB ' ' A' ' 68' ' ' GLN . . . -57.68 136.7 56.88 Favored 'General case' 0 CA--C 1.491 -1.322 0 N-CA-C 106.635 -1.617 . . . . 39.490000000000002 106.635 -176.612 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLN . . . . . 0.419 ' CB ' ' O ' ' A' ' 67' ' ' ALA . 0.0 OUTLIER 87.17 -6.84 0.65 Allowed 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 115.468 1.655 . . . . 53.710000000000001 115.468 179.732 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.7 p -115.63 18.4 15.84 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 116.908 -1.917 . . . . 50.799999999999997 109.086 142.347 40.007 -89.952 -141.802 108.034 2.069 104.438 111.075 -68.944 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 35.6 m120 46.25 62.74 2.14 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 121.583 0.706 . . . . 39.840000000000003 112.471 171.221 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 90.5 p -160.75 161.12 32.05 Favored 'General case' 0 CA--C 1.501 -0.921 0 N-CA-C 108.148 -1.056 . . . . 33.479999999999997 108.148 177.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -141.66 153.28 44.61 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 108.739 -0.838 . . . . 33.07 108.739 169.331 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 74.3 m -122.69 142.08 51.08 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 108.833 -0.802 . . . . 24.449999999999999 108.833 173.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -112.57 132.73 54.98 Favored 'General case' 0 C--O 1.248 1.012 0 N-CA-C 106.322 -1.732 . . . . 38.950000000000003 106.322 171.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 14.7 m-90 -108.89 139.7 43.37 Favored 'General case' 0 CA--C 1.504 -0.819 0 N-CA-C 105.185 -2.154 . . . . 24.57 105.185 174.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.1 p -131.62 143.6 39.94 Favored 'Isoleucine or valine' 0 C--O 1.243 0.716 0 N-CA-C 106.071 -1.826 . . . . 26.379999999999999 106.071 172.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 179.47 -156.41 18.24 Favored Glycine 0 N--CA 1.47 0.927 0 N-CA-C 114.645 0.618 . . . . 31.329999999999998 114.645 -173.791 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' THR . . . . . 0.606 HG21 ' O ' ' A' ' 219' ' ' HOH 0.289 0.1 OUTLIER -145.79 171.78 14.27 Favored 'General case' 0 CA--C 1.487 -1.468 0 C-N-CA 123.738 0.815 . . . . 37.130000000000003 108.846 175.974 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ILE . . . . . 0.455 HD11 ' CD1' ' A' ' 7' ' ' LEU . 9.0 mt -109.44 131.91 59.02 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.237 0 O-C-N 124.137 0.898 . . . . 44.009999999999998 111.887 169.282 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -131.04 97.18 4.23 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-O 121.578 0.704 . . . . 51.670000000000002 109.395 176.159 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 63.16 -114.29 6.74 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 114.455 -1.248 . . . . 39.850000000000001 110.92 -172.512 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 41.9 t -94.54 2.82 55.67 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.672 1.189 . . . . 41.270000000000003 111.673 -174.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -126.71 146.2 50.3 Favored 'General case' 0 C--O 1.213 -0.837 0 O-C-N 122.161 -0.337 . . . . 47.799999999999997 110.792 -172.603 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 24.9 ttm -132.78 92.36 26.81 Favored Pre-proline 0 C--O 1.234 0.246 0 N-CA-C 108.065 -1.087 . . . . 32.539999999999999 108.065 -178.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -77.67 141.95 20.02 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 N-CA-C 108.429 -1.412 . . . . 28.859999999999999 108.429 179.167 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.5 p -142.06 156.57 45.41 Favored 'General case' 0 C--O 1.266 1.969 0 CA-C-O 121.977 0.894 . . . . 27.780000000000001 110.446 -176.889 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' SER . . . . . 0.506 ' OG ' ' O ' ' A' ' 224' ' ' HOH . 0.5 OUTLIER -111.71 143.41 42.68 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.933 -1.031 . . . . 27.379999999999999 109.217 158.744 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 63.1 p-90 -127.45 155.02 44.36 Favored 'General case' 0 CA--C 1.513 -0.464 0 C-N-CA 119.615 -0.834 . . . . 26.41 112.159 -178.777 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.3 p -130.89 126.31 35.83 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.547 -0.908 . . . . 35.299999999999997 108.547 170.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.4 tp -105.02 133.93 48.97 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 108.134 -1.061 . . . . 31.780000000000001 108.134 -179.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -118.77 134.14 55.35 Favored 'General case' 0 CA--C 1.501 -0.94 0 N-CA-C 106.513 -1.662 . . . . 37.350000000000001 106.513 173.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -151.51 177.91 9.84 Favored 'General case' 0 C--O 1.233 0.193 0 O-C-N 124.126 0.891 . . . . 43.640000000000001 110.491 175.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 20.4 t -118.22 125.47 74.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 104.703 -2.332 . . . . 44.049999999999997 104.703 177.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -68.72 -177.67 1.02 Allowed 'General case' 0 CA--C 1.541 0.606 0 O-C-N 123.349 0.405 . . . . 55.090000000000003 111.832 177.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -77.08 -14.26 59.84 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 116.322 1.971 . . . . 58.119999999999997 116.322 -175.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.34 0.32 57.44 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 123.877 0.871 . . . . 58.100000000000001 109.943 174.321 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 86.95 17.37 59.65 Favored Glycine 0 N--CA 1.465 0.628 0 N-CA-C 115.657 1.023 . . . . 48.350000000000001 115.657 177.276 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.89 127.93 37.39 Favored Pre-proline 0 N--CA 1.449 -0.514 0 C-N-CA 119.719 -0.792 . . . . 52.350000000000001 110.965 177.623 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -58.37 136.44 74.47 Favored 'Trans proline' 0 N--CA 1.44 -1.669 0 C-N-CA 124.661 3.574 . . . . 41.950000000000003 110.546 171.175 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.7 m -142.56 145.64 33.8 Favored 'General case' 0 N--CA 1.437 -1.091 0 N-CA-C 107.483 -1.303 . . . . 41.270000000000003 107.483 -172.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.4 ptt-85 -128.92 155.86 44.63 Favored 'General case' 0 N--CA 1.435 -1.189 0 C-N-CA 119.214 -0.994 . . . . 53.939999999999998 111.291 174.623 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.4 tp -141.29 143.7 34.23 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 106.193 -1.78 . . . . 42.43 106.193 -176.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.6 mtpp -130.79 155.59 46.43 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 119.627 -0.829 . . . . 42.25 110.898 -178.199 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -175.36 -175.65 42.98 Favored Glycine 0 CA--C 1.5 -0.85 0 N-CA-C 110.352 -1.099 . . . . 29.02 110.352 -177.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -123.36 157.91 17.9 Favored Glycine 0 C--O 1.221 -0.686 0 N-CA-C 108.425 -1.87 . . . . 29.460000000000001 108.425 -179.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -145.17 144.94 31.15 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 105.838 -1.912 . . . . 36.090000000000003 105.838 178.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 59.8 mt -122.12 116.84 50.41 Favored 'Isoleucine or valine' 0 C--O 1.241 0.651 0 N-CA-C 105.678 -1.971 . . . . 28.170000000000002 105.678 164.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -93.74 136.73 33.72 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 104.967 -2.234 . . . . 26.870000000000001 104.967 176.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 45.1 p -124.58 140.62 52.78 Favored 'General case' 0 CA--C 1.501 -0.941 0 C-N-CA 118.18 -1.408 . . . . 34.659999999999997 107.985 174.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ARG . . . . . 0.518 ' HD2' ' OXT' ' A' ' 112' ' ' TRP . 0.9 OUTLIER -64.35 130.06 42.34 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-N 115.114 -0.948 . . . . 43.049999999999997 110.809 -177.089 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 111' ' ' VAL . . . . . 0.461 ' O ' ' OXT' ' A' ' 112' ' ' TRP . 21.3 t -114.27 116.23 51.96 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 1 N-CA-C 98.842 -4.503 . . . . 36.229999999999997 98.842 165.565 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 112' ' ' TRP . . . . . 0.518 ' OXT' ' HD2' ' A' ' 110' ' ' ARG 0.258 1.6 p-90 . . . . . 0 C--N 1.312 -1.062 0 N-CA-C 118.122 2.638 . . . . 33.07 118.122 -178.501 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . 0.538 ' O ' HG23 ' A' ' 36' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . 1.012 ' O ' ' HG3' ' A' ' 16' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . 0.606 ' O ' HG21 ' A' ' 78' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . 0.506 ' O ' ' OG ' ' A' ' 87' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.534 HD23 ' HB2' ' A' ' 26' ' ' ALA . 22.8 tp . . . . . 0 N--CA 1.5 2.049 0 N-CA-C 111.92 0.341 . . . . 47.68 111.92 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -71.34 139.89 35.81 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.213 1.942 . . . . 42.350000000000001 110.106 -179.727 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -142.58 134.96 13.5 Favored Pre-proline 0 C--N 1.329 -0.321 0 O-C-N 123.168 0.292 . . . . 38.649999999999999 110.415 175.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.442 ' HA ' ' O ' ' A' ' 23' ' ' ILE . 34.3 Cg_exo -71.01 157.28 95.68 Favored 'Cis proline' 0 N--CA 1.451 -1.017 0 O-C-N 122.798 0.894 . . . . 34.490000000000002 112.082 -6.65 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.3 p -159.51 164.49 34.34 Favored 'General case' 0 CA--C 1.483 -1.63 0 N-CA-C 106.167 -1.79 . . . . 30.969999999999999 106.167 176.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.452 ' O ' ' O ' ' A' ' 111' ' ' VAL . 74.3 t80 -140.14 126.22 19.74 Favored 'General case' 0 N--CA 1.421 -1.904 0 N-CA-C 103.074 -2.936 . . . . 37.719999999999999 103.074 -174.512 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.501 ' HE1' HD12 ' A' ' 23' ' ' ILE . 12.1 m95 -126.14 150.63 48.13 Favored 'General case' 0 N--CA 1.457 -0.094 0 O-C-N 125.005 1.44 . . . . 28.260000000000002 109.155 -177.071 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -132.19 139.01 48.2 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 108.098 -1.075 . . . . 44.789999999999999 108.098 179.351 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 51.8 p30 -88.73 -176.52 5.27 Favored 'General case' 0 CA--C 1.496 -1.13 0 N-CA-C 108.462 -0.94 . . . . 30.75 108.462 176.619 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLU . . . . . 1.012 ' HG3' ' O ' ' A' ' 208' ' ' HOH . 0.7 OUTLIER -73.02 -13.56 61.24 Favored 'General case' 0 CA--C 1.514 -0.406 0 O-C-N 124.166 0.916 . . . . 46.579999999999998 110.529 -174.706 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.3 mtt-85 -92.03 -10.92 37.42 Favored 'General case' 0 C--O 1.211 -0.958 0 N-CA-C 109.824 -0.436 . . . . 45.469999999999999 109.824 -178.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.8 0.03 57.69 Favored Glycine 0 C--O 1.226 -0.374 0 C-N-CA 120.024 -1.084 . . . . 29.82 114.07 -177.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.4 m -68.18 148.06 51.4 Favored 'General case' 0 CA--C 1.498 -1.05 0 N-CA-C 108.414 -0.958 . . . . 28.199999999999999 108.414 177.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.666 ' OE1' ' HE1' ' A' ' 38' ' ' HIS . 13.8 mt-10 -117.53 143.91 45.62 Favored 'General case' 0 C--O 1.247 0.921 0 C-N-CA 119.28 -0.968 . . . . 38.490000000000002 109.992 -172.299 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 42.1 tp -130.09 115.4 17.02 Favored 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 124.312 1.008 . . . . 30.370000000000001 108.336 175.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.64 119.98 39.99 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 106.971 -1.492 . . . . 32.149999999999999 106.971 175.67 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.501 HD12 ' HE1' ' A' ' 13' ' ' TRP . 45.7 mt -98.0 124.53 51.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 107.755 -1.202 . . . . 37.939999999999998 107.755 177.138 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 84.3 m95 -90.0 -39.99 12.61 Favored 'General case' 0 C--O 1.221 -0.395 0 O-C-N 123.82 0.7 . . . . 37.619999999999997 111.547 179.212 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.6 p -160.55 158.97 30.03 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 109.884 -0.413 . . . . 41.759999999999998 109.884 -176.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.534 ' HB2' HD23 ' A' ' 7' ' ' LEU . . . -144.64 34.41 1.15 Allowed 'General case' 0 C--O 1.241 0.606 0 C-N-CA 124.402 1.081 . . . . 48.530000000000001 108.844 175.932 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.502 ' ND2' ' H ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -47.44 -52.7 16.2 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 116.901 2.185 . . . . 60.340000000000003 116.901 -160.977 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' SER . . . . . 0.502 ' H ' ' ND2' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -136.19 65.41 1.53 Allowed 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 105.984 -1.858 . . . . 54.189999999999998 105.984 -178.035 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.44 3.68 58.6 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 114.183 -1.371 . . . . 50.789999999999999 115.497 174.527 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 80.7 p -116.75 108.51 15.98 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 109.209 -0.663 . . . . 47.380000000000003 109.209 -177.177 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -84.49 143.26 12.1 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.635 0 C-N-CA 120.229 -0.588 . . . . 45.719999999999999 109.734 -172.545 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -128.46 134.35 48.72 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 107.55 -1.278 . . . . 47.420000000000002 107.55 171.579 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.26 -179.28 28.62 Favored Glycine 0 N--CA 1.43 -1.763 0 C-N-CA 118.607 -1.758 . . . . 33.289999999999999 110.549 -167.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.3 m -133.23 136.65 45.72 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 105.766 -1.939 . . . . 30.43 105.766 172.24 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -129.45 137.72 51.02 Favored 'General case' 0 C--O 1.244 0.809 0 N-CA-C 107.365 -1.346 . . . . 27.93 107.365 -175.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 202' ' ' HOH . 0.1 OUTLIER -132.31 130.26 40.58 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 118.709 -1.196 . . . . 35.100000000000001 109.904 172.441 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -82.14 139.49 34.32 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.157 -0.929 . . . . 34.219999999999999 109.575 -177.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.666 ' HE1' ' OE1' ' A' ' 20' ' ' GLU . 38.2 m80 -139.49 11.32 2.52 Favored 'General case' 0 C--O 1.248 1.025 0 N-CA-C 108.825 -0.805 . . . . 36.100000000000001 108.825 173.148 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.59 126.91 30.42 Favored 'General case' 0 CA--C 1.509 -0.607 0 O-C-N 124.175 0.922 . . . . 39.869999999999997 108.57 -176.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.57 138.21 57.78 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 119.985 -0.686 . . . . 54.07 109.385 178.11 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.68 14.0 75.07 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 115.631 1.012 . . . . 46.189999999999998 115.631 178.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -116.82 146.8 42.63 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 107.552 -1.277 . . . . 45.659999999999997 107.552 165.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.61 175.52 10.1 Favored 'General case' 0 CA--C 1.518 -0.271 0 O-C-N 123.284 0.365 . . . . 44.75 111.863 -171.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 95.7 m 57.0 35.49 26.5 Favored 'General case' 0 C--N 1.334 -0.078 0 N-CA-C 113.741 1.015 . . . . 46.990000000000002 113.741 -177.134 -68.944 111.075 -141.802 104.438 2.069 108.034 -89.952 40.007 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -65.39 129.6 40.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.318 -0.401 . . . . 44.399999999999999 110.657 175.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.17 -14.16 63.97 Favored Glycine 0 C--O 1.221 -0.706 0 N-CA-C 114.987 0.755 . . . . 39.82 114.987 170.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.455 ' HA ' ' HD3' ' A' ' 48' ' ' PRO 0.283 0.2 OUTLIER -100.64 123.52 45.61 Favored Pre-proline 0 C--O 1.243 0.732 0 N-CA-C 113.42 0.896 . . . . 38.609999999999999 113.42 178.604 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 47' ' ' ILE . 11.8 Cg_exo -74.06 140.37 28.19 Favored 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 123.234 2.623 . . . . 35.439999999999998 112.01 -177.823 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -136.73 148.44 63.43 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 108.027 -1.101 . . . . 33.909999999999997 108.027 -178.007 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -61.56 139.4 81.33 Favored 'Trans proline' 0 N--CA 1.451 -0.993 0 N-CA-C 109.736 -0.909 . . . . 30.039999999999999 109.736 177.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -111.32 131.32 55.25 Favored 'General case' 0 C--O 1.214 -0.772 0 N-CA-C 105.098 -2.186 . . . . 31.739999999999998 105.098 171.647 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -131.92 150.78 52.06 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 118.488 0.586 . . . . 32.310000000000002 109.768 178.724 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 174.61 -160.66 30.08 Favored Glycine 0 CA--C 1.495 -1.161 0 C-N-CA 118.937 -1.602 . . . . 35.829999999999998 113.749 179.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.7 m -138.5 146.92 42.57 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 114.904 -0.648 . . . . 41.369999999999997 110.783 -175.413 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.2 p -123.62 146.11 29.56 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 N-CA-C 106.805 -1.554 . . . . 47.439999999999998 106.805 176.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' SER . . . . . 0.797 ' HB2' ' HD2' ' A' ' 57' ' ' PRO . 39.1 p -164.15 178.37 1.47 Allowed Pre-proline 0 C--O 1.248 0.999 0 O-C-N 122.21 -0.306 . . . . 52.159999999999997 110.404 175.843 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.797 ' HD2' ' HB2' ' A' ' 56' ' ' SER . 5.2 Cg_exo -37.06 -58.21 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 124.42 3.413 . . . . 52.009999999999998 111.557 169.729 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' THR . . . . . 0.429 ' O ' ' CG2' ' A' ' 58' ' ' THR . 7.2 m -57.49 -13.78 4.12 Favored 'General case' 0 CA--C 1.554 1.104 0 N-CA-C 118.334 2.716 . . . . 50.670000000000002 118.334 179.797 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 129.43 -149.16 18.57 Favored Glycine 0 N--CA 1.465 0.629 0 N-CA-C 109.617 -1.393 . . . . 45.350000000000001 109.617 -177.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -149.74 161.35 42.39 Favored 'General case' 0 CA--C 1.51 -0.561 0 CA-C-O 121.326 0.584 . . . . 38.399999999999999 112.505 -179.522 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -144.16 151.44 39.54 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 107.036 -1.468 . . . . 36.560000000000002 107.036 170.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -143.28 152.06 41.25 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.647 -0.871 . . . . 27.98 108.647 170.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.5 p -126.16 142.35 43.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 107.205 -1.406 . . . . 26.390000000000001 107.205 -176.648 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 86.3 t -136.22 127.65 43.59 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.085 0 N-CA-C 104.691 -2.337 . . . . 23.32 104.691 -179.296 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 22.5 p -107.82 118.96 38.1 Favored 'General case' 0 CA--C 1.488 -1.405 0 N-CA-C 107.259 -1.385 . . . . 34.990000000000002 107.259 178.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -86.72 77.25 9.36 Favored 'General case' 0 N--CA 1.425 -1.695 0 N-CA-C 106.621 -1.622 . . . . 33.659999999999997 106.621 -179.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.419 ' O ' ' CB ' ' A' ' 68' ' ' GLN . . . -57.68 136.7 56.88 Favored 'General case' 0 CA--C 1.491 -1.322 0 N-CA-C 106.635 -1.617 . . . . 39.490000000000002 106.635 -176.612 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.419 ' CB ' ' O ' ' A' ' 67' ' ' ALA . 0.0 OUTLIER 87.17 -6.84 0.65 Allowed 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 115.468 1.655 . . . . 53.710000000000001 115.468 179.732 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.7 p -115.63 18.4 15.84 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 116.908 -1.917 . . . . 50.799999999999997 109.086 142.347 40.007 -89.952 -141.802 108.034 2.069 104.438 111.075 -68.944 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 35.6 m120 46.25 62.74 2.14 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 121.583 0.706 . . . . 39.840000000000003 112.471 171.221 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 90.5 p -160.75 161.12 32.05 Favored 'General case' 0 CA--C 1.501 -0.921 0 N-CA-C 108.148 -1.056 . . . . 33.479999999999997 108.148 177.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -141.66 153.28 44.61 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 108.739 -0.838 . . . . 33.07 108.739 169.331 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 74.3 m -122.69 142.08 51.08 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 108.833 -0.802 . . . . 24.449999999999999 108.833 173.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -112.57 132.73 54.98 Favored 'General case' 0 C--O 1.248 1.012 0 N-CA-C 106.322 -1.732 . . . . 38.950000000000003 106.322 171.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 14.7 m-90 -108.89 139.7 43.37 Favored 'General case' 0 CA--C 1.504 -0.819 0 N-CA-C 105.185 -2.154 . . . . 24.57 105.185 174.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.1 p -131.62 143.6 39.94 Favored 'Isoleucine or valine' 0 C--O 1.243 0.716 0 N-CA-C 106.071 -1.826 . . . . 26.379999999999999 106.071 172.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 179.47 -156.41 18.24 Favored Glycine 0 N--CA 1.47 0.927 0 N-CA-C 114.645 0.618 . . . . 31.329999999999998 114.645 -173.791 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' THR . . . . . 0.606 HG21 ' O ' ' A' ' 219' ' ' HOH 0.289 0.1 OUTLIER -145.79 171.78 14.27 Favored 'General case' 0 CA--C 1.487 -1.468 0 C-N-CA 123.738 0.815 . . . . 37.130000000000003 108.846 175.974 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.455 HD11 ' CD1' ' A' ' 7' ' ' LEU . 9.0 mt -109.44 131.91 59.02 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.237 0 O-C-N 124.137 0.898 . . . . 44.009999999999998 111.887 169.282 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -131.04 97.18 4.23 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-O 121.578 0.704 . . . . 51.670000000000002 109.395 176.159 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 63.16 -114.29 6.74 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 114.455 -1.248 . . . . 39.850000000000001 110.92 -172.512 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 41.9 t -94.54 2.82 55.67 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.672 1.189 . . . . 41.270000000000003 111.673 -174.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -126.71 146.2 50.3 Favored 'General case' 0 C--O 1.213 -0.837 0 O-C-N 122.161 -0.337 . . . . 47.799999999999997 110.792 -172.603 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 24.9 ttm -132.78 92.36 26.81 Favored Pre-proline 0 C--O 1.234 0.246 0 N-CA-C 108.065 -1.087 . . . . 32.539999999999999 108.065 -178.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -77.67 141.95 20.02 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 N-CA-C 108.429 -1.412 . . . . 28.859999999999999 108.429 179.167 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.5 p -142.06 156.57 45.41 Favored 'General case' 0 C--O 1.266 1.969 0 CA-C-O 121.977 0.894 . . . . 27.780000000000001 110.446 -176.889 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' SER . . . . . 0.506 ' OG ' ' O ' ' A' ' 224' ' ' HOH . 0.5 OUTLIER -111.71 143.41 42.68 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.933 -1.031 . . . . 27.379999999999999 109.217 158.744 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 63.1 p-90 -127.45 155.02 44.36 Favored 'General case' 0 CA--C 1.513 -0.464 0 C-N-CA 119.615 -0.834 . . . . 26.41 112.159 -178.777 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.3 p -130.89 126.31 35.83 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.547 -0.908 . . . . 35.299999999999997 108.547 170.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.4 tp -105.02 133.93 48.97 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 108.134 -1.061 . . . . 31.780000000000001 108.134 -179.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -118.77 134.14 55.35 Favored 'General case' 0 CA--C 1.501 -0.94 0 N-CA-C 106.513 -1.662 . . . . 37.350000000000001 106.513 173.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -151.51 177.91 9.84 Favored 'General case' 0 C--O 1.233 0.193 0 O-C-N 124.126 0.891 . . . . 43.640000000000001 110.491 175.28 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 20.4 t -118.22 125.47 74.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 104.703 -2.332 . . . . 44.049999999999997 104.703 177.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -68.72 -177.67 1.02 Allowed 'General case' 0 CA--C 1.541 0.606 0 O-C-N 123.349 0.405 . . . . 55.090000000000003 111.832 177.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -77.08 -14.26 59.84 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 116.322 1.971 . . . . 58.119999999999997 116.322 -175.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.34 0.32 57.44 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 123.877 0.871 . . . . 58.100000000000001 109.943 174.321 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 86.95 17.37 59.65 Favored Glycine 0 N--CA 1.465 0.628 0 N-CA-C 115.657 1.023 . . . . 48.350000000000001 115.657 177.276 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.89 127.93 37.39 Favored Pre-proline 0 N--CA 1.449 -0.514 0 C-N-CA 119.719 -0.792 . . . . 52.350000000000001 110.965 177.623 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -58.37 136.44 74.47 Favored 'Trans proline' 0 N--CA 1.44 -1.669 0 C-N-CA 124.661 3.574 . . . . 41.950000000000003 110.546 171.175 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.7 m -142.56 145.64 33.8 Favored 'General case' 0 N--CA 1.437 -1.091 0 N-CA-C 107.483 -1.303 . . . . 41.270000000000003 107.483 -172.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.4 ptt-85 -128.92 155.86 44.63 Favored 'General case' 0 N--CA 1.435 -1.189 0 C-N-CA 119.214 -0.994 . . . . 53.939999999999998 111.291 174.623 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.4 tp -141.29 143.7 34.23 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 106.193 -1.78 . . . . 42.43 106.193 -176.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.6 mtpp -130.79 155.59 46.43 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 119.627 -0.829 . . . . 42.25 110.898 -178.199 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -175.36 -175.65 42.98 Favored Glycine 0 CA--C 1.5 -0.85 0 N-CA-C 110.352 -1.099 . . . . 29.02 110.352 -177.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -123.36 157.91 17.9 Favored Glycine 0 C--O 1.221 -0.686 0 N-CA-C 108.425 -1.87 . . . . 29.460000000000001 108.425 -179.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -145.17 144.94 31.15 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 105.838 -1.912 . . . . 36.090000000000003 105.838 178.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 59.8 mt -122.12 116.84 50.41 Favored 'Isoleucine or valine' 0 C--O 1.241 0.651 0 N-CA-C 105.678 -1.971 . . . . 28.170000000000002 105.678 164.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -93.74 136.73 33.72 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 104.967 -2.234 . . . . 26.870000000000001 104.967 176.607 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 45.1 p -124.58 140.62 52.78 Favored 'General case' 0 CA--C 1.501 -0.941 0 C-N-CA 118.18 -1.408 . . . . 34.659999999999997 107.985 174.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.518 ' HD2' ' OXT' ' A' ' 112' ' ' TRP . 0.9 OUTLIER -64.35 130.06 42.34 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-N 115.114 -0.948 . . . . 43.049999999999997 110.809 -177.089 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.461 ' O ' ' OXT' ' A' ' 112' ' ' TRP . 21.3 t -114.27 116.23 51.96 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 1 N-CA-C 98.842 -4.503 . . . . 36.229999999999997 98.842 165.565 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' TRP . . . . . 0.518 ' OXT' ' HD2' ' A' ' 110' ' ' ARG 0.258 1.6 p-90 . . . . . 0 C--N 1.312 -1.062 0 N-CA-C 118.122 2.638 . . . . 33.07 118.122 -178.501 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . 0.538 ' O ' HG23 ' A' ' 36' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . 1.012 ' O ' ' HG3' ' A' ' 16' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . 0.609 ' O ' ' HD2' ' A' ' 38' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . 0.606 ' O ' HG21 ' A' ' 78' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . 0.506 ' O ' ' OG ' ' A' ' 87' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_