data_6u9z_residue ############################ # Computer software used # ############################ 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 6u9z _Structure_validation_residue.Date_analyzed 2020-11-06 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 ' 18' ' ' VAL . . . . . . . . . . . . . 44.2 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.533 0.206 . . . . 64.66 110.61 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -56.74 142.88 91.64 Favored 'Trans proline' 0 C--O 1.234 0.303 0 O-C-N 122.828 0.91 . . . . 50.99 111.495 175.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.43 -34.54 74.11 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.463 -0.79 . . . . 43.5 111.984 -175.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 95.3 m -68.09 -37.15 80.89 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 119.922 -0.711 . . . . 36.35 111.247 -178.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -63.24 -43.64 97.45 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.073 -0.651 . . . . 46.48 110.956 175.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.4 mm -56.53 -38.21 55.57 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 CA-C-O 120.89 0.376 . . . . 33.91 110.364 175.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.0 tp -59.88 -47.93 83.76 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.424 -0.51 . . . . 31.29 110.963 177.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 24.9 mt -60.15 -40.15 88.83 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.565 -0.454 . . . . 35.03 111.376 179.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.5 mt -64.55 -45.6 86.43 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.44 -0.504 . . . . 34.65 111.261 -176.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.5 p -68.55 -32.77 56.61 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 C-N-CA 119.522 -0.871 . . . . 30.08 110.604 -179.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.8 mt -62.74 -43.82 97.81 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.169 -0.612 . . . . 29.48 110.948 174.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.13 -39.24 85.62 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.155 -0.618 . . . . 24.72 110.972 175.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.5 t -60.35 -42.19 89.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 C-N-CA 120.579 -0.448 . . . . 25.97 110.423 176.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 39.4 mt -66.77 -42.94 90.06 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 O-C-N 122.071 -0.393 . . . . 33.1 110.669 -177.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 88.8 mt -58.98 -47.35 90.13 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-O 121.335 0.588 . . . . 30.34 110.153 175.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -60.89 -46.61 89.94 Favored 'General case' 0 C--O 1.236 0.372 0 O-C-N 122.116 -0.365 . . . . 28.65 111.119 -177.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.37 -41.42 94.49 Favored Glycine 0 C--N 1.334 0.432 0 C-N-CA 119.982 -1.104 . . . . 25.36 112.971 -179.096 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.0 m -68.35 -50.06 55.86 Favored 'General case' 0 C--O 1.238 0.475 0 O-C-N 122.133 -0.628 . . . . 27.75 111.177 -175.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.91 -38.44 90.97 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 120.105 -0.638 . . . . 30.03 111.104 -179.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.51 -50.82 52.89 Favored Glycine 0 C--N 1.334 0.425 0 C-N-CA 119.976 -1.107 . . . . 25.53 112.547 -178.158 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -59.96 -40.61 89.63 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 120.211 -0.595 . . . . 28.38 111.113 178.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -62.21 -47.61 83.66 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 120.804 0.335 . . . . 33.95 111.173 -178.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -80.14 -35.73 36.22 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 120.178 -0.609 . . . . 38.7 111.989 -175.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 90.1 mt -80.08 -49.5 18.97 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 C-N-CA 120.093 -0.643 . . . . 35.63 110.833 -175.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -95.77 -10.44 29.1 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 113.401 0.889 . . . . 34.07 113.401 -176.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.08 13.66 81.72 Favored Glycine 0 N--CA 1.448 -0.52 0 N-CA-C 116.115 1.206 . . . . 35.71 116.115 171.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLU . . . . . 0.492 ' OE1' ' O ' ' A' ' 201' ' ' HOH . 61.9 mm-40 -80.49 164.11 23.25 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 118.754 1.277 . . . . 36.69 110.445 176.561 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.9 p -66.52 161.74 22.29 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.834 0.826 . . . . 30.86 110.858 -178.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -57.8 -43.82 85.91 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.318 -0.856 . . . . 34.47 111.223 178.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.3 m -65.85 -47.48 74.82 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 120.821 -0.352 . . . . 32.14 111.227 -177.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.3 t -60.76 -36.37 70.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 C-N-CA 120.238 -0.585 . . . . 28.2 110.341 177.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 51.1 m -70.64 -36.55 73.47 Favored 'General case' 0 C--O 1.236 0.392 0 O-C-N 122.016 -0.428 . . . . 24.65 111.196 -176.03 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 44.7 tp -67.41 -43.74 80.51 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 120.561 -0.456 . . . . 27.67 111.12 175.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -59.45 -46.13 89.63 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 120.752 0.31 . . . . 25.13 111.103 176.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 69.3 t90 -61.7 -38.11 86.64 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 122.127 -0.358 . . . . 23.16 111.536 179.04 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.1 m -62.51 -48.17 80.75 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.642 -0.423 . . . . 23.7 111.188 -179.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -60.53 -47.73 84.86 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 120.975 0.417 . . . . 24.57 111.008 176.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 42.1 t -57.67 -32.73 43.19 Favored 'Isoleucine or valine' 0 C--O 1.238 0.474 0 O-C-N 122.135 -0.353 . . . . 22.64 110.843 -179.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 51.5 m -79.4 -53.39 6.96 Favored 'General case' 0 C--O 1.237 0.401 0 O-C-N 121.887 -0.508 . . . . 21.35 111.76 -177.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 47.5 pt -70.09 -17.08 20.7 Favored 'Isoleucine or valine' 0 C--O 1.239 0.529 0 C-N-CA 119.511 -0.876 . . . . 20.65 112.228 -175.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ALA . . . . . 0.423 ' O ' ' OG1' ' A' ' 59' ' ' THR . . . -83.06 -9.31 59.31 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 112.654 0.613 . . . . 20.5 112.654 170.932 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 58' ' ' ALA . 18.5 p 70.62 15.38 7.09 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 125.566 1.547 . . . . 21.71 112.883 -177.093 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 69.1 t -65.71 -52.14 53.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 C-N-CA 120.198 -0.601 . . . . 22.45 110.126 173.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 54.38 52.48 44.3 Favored Glycine 0 C--N 1.333 0.377 0 N-CA-C 116.561 1.384 . . . . 22.77 116.561 171.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -48.19 -41.93 28.46 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 117.652 0.726 . . . . 25.0 111.898 179.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.81 5.48 77.72 Favored Glycine 0 N--CA 1.444 -0.825 0 CA-C-O 119.152 -0.804 . . . . 21.29 114.958 -173.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -66.23 -23.77 66.48 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 118.646 1.223 . . . . 26.37 111.146 170.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -134.33 137.61 44.31 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.566 -0.902 . . . . 28.8 108.566 171.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.5 p -161.99 153.44 15.52 Favored Pre-proline 0 C--O 1.234 0.271 0 N-CA-C 108.638 -0.875 . . . . 26.94 108.638 -178.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -69.86 136.23 32.22 Favored 'Trans proline' 0 C--N 1.329 -0.478 0 CA-C-O 121.407 0.503 . . . . 25.82 111.411 -178.296 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 87.8 p -115.42 3.98 14.23 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 113.282 0.845 . . . . 37.09 113.282 178.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.0 p -114.31 153.31 46.48 Favored Pre-proline 0 C--O 1.236 0.353 0 CA-C-N 118.736 0.698 . . . . 32.68 110.449 175.84 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -54.86 -41.36 79.13 Favored 'Trans proline' 0 C--O 1.237 0.468 0 N-CA-C 113.425 0.51 . . . . 35.38 113.425 177.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.0 tp -64.99 -41.84 95.05 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.177 -0.609 . . . . 38.13 111.161 178.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -62.85 -34.74 90.66 Favored Glycine 0 C--N 1.334 0.449 0 C-N-CA 119.982 -1.104 . . . . 26.76 112.868 176.84 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 63.8 mtt -66.88 -44.68 80.26 Favored 'General case' 0 C--O 1.238 0.479 0 O-C-N 122.3 -0.53 . . . . 26.03 111.236 178.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -60.97 -47.17 87.67 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.419 -0.512 . . . . 40.8 110.911 175.239 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -57.05 -41.74 79.28 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.648 -0.421 . . . . 29.77 111.266 178.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 23.8 m -64.87 -36.92 85.9 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 120.502 -0.479 . . . . 26.3 111.199 -178.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 32.8 t -61.12 -43.95 97.32 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 C-N-CA 120.442 -0.503 . . . . 26.81 110.504 175.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.1 p -61.24 -41.63 97.22 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.1 -0.64 . . . . 28.38 111.169 179.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 60.1 tp -66.58 -38.92 88.05 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 120.374 -0.531 . . . . 24.79 111.241 177.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 54.6 mt -60.88 -44.5 97.92 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 C-N-CA 120.45 -0.5 . . . . 24.35 110.438 177.167 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.3 t -70.82 -33.46 52.48 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 O-C-N 121.938 -0.476 . . . . 28.49 111.31 -176.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 85.0 mt -92.25 -25.12 18.77 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 113.243 0.831 . . . . 36.18 113.243 -174.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -105.26 -28.3 5.55 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 117.296 1.678 . . . . 29.89 117.296 -169.221 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 53.3 mt -64.94 -43.44 96.23 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-N 117.59 0.695 . . . . 27.87 110.846 -176.175 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -69.96 -39.74 74.37 Favored Glycine 0 C--N 1.334 0.457 0 C-N-CA 119.929 -1.129 . . . . 28.06 112.087 178.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 24.6 m -63.0 -41.69 99.65 Favored 'General case' 0 C--O 1.236 0.357 0 O-C-N 122.353 -0.498 . . . . 33.6 110.949 178.162 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -66.24 -39.13 89.31 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.829 -0.349 . . . . 30.01 111.448 179.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.57 -42.49 99.58 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.339 -0.544 . . . . 29.15 111.442 -179.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 41.7 t -66.78 -39.37 83.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 C-N-CA 120.065 -0.654 . . . . 33.55 110.538 178.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.8 -43.85 97.72 Favored 'General case' 0 C--O 1.238 0.453 0 O-C-N 121.785 -0.572 . . . . 33.93 111.337 -179.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 17.4 m -60.58 -46.56 95.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 C-N-CA 119.753 -0.779 . . . . 44.62 110.526 179.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -61.43 -37.97 85.45 Favored 'General case' 0 C--O 1.237 0.398 0 O-C-N 121.721 -0.612 . . . . 81.68 111.171 178.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.0 mmm-85 -68.74 -42.56 77.41 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.313 -0.555 . . . . 67.24 111.279 175.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.7 tp -60.27 -32.96 71.67 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.21 -0.596 . . . . 56.08 111.554 178.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 11.4 mt -60.71 -38.44 85.03 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.464 -0.494 . . . . 77.19 111.161 176.017 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -66.57 -32.97 74.64 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.552 -0.459 . . . . 90.07 111.979 -177.002 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -86.04 -19.25 30.57 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 113.501 0.926 . . . . 97.94 113.501 -175.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.9 mt -100.6 -38.31 8.4 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.944 0.72 . . . . 88.03 112.944 177.006 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.7 mt . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 118.313 0.506 . . . . 85.36 109.705 174.614 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ' K' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ' K' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ' K' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ' K' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ' K' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HEZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . 0.492 ' O ' ' OE1' ' A' ' 44' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 0 . 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 0 . 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 orig full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 18' ' ' VAL . . . . . 0.685 HG13 ' HD3' ' A' ' 22' ' ' ARG . 44.2 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.533 0.206 . . . . 64.66 110.61 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -56.74 142.88 91.64 Favored 'Trans proline' 0 C--O 1.234 0.303 0 O-C-N 122.828 0.91 . . . . 50.99 111.495 175.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.43 -34.54 74.11 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.463 -0.79 . . . . 43.5 111.984 -175.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 95.3 m -68.09 -37.15 80.89 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 119.922 -0.711 . . . . 36.35 111.247 -178.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ARG . . . . . 0.685 ' HD3' HG13 ' A' ' 18' ' ' VAL . 73.4 ttt180 -63.24 -43.64 97.45 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.073 -0.651 . . . . 46.48 110.956 175.184 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.4 mm -56.53 -38.21 55.57 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 CA-C-O 120.89 0.376 . . . . 33.91 110.364 175.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.0 tp -59.88 -47.93 83.76 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.424 -0.51 . . . . 31.29 110.963 177.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 24.9 mt -60.15 -40.15 88.83 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.565 -0.454 . . . . 35.03 111.376 179.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.5 mt -64.55 -45.6 86.43 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.44 -0.504 . . . . 34.65 111.261 -176.475 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.5 p -68.55 -32.77 56.61 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 C-N-CA 119.522 -0.871 . . . . 30.08 110.604 -179.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.8 mt -62.74 -43.82 97.81 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.169 -0.612 . . . . 29.48 110.948 174.667 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.13 -39.24 85.62 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.155 -0.618 . . . . 24.72 110.972 175.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.5 t -60.35 -42.19 89.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 C-N-CA 120.579 -0.448 . . . . 25.97 110.423 176.132 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 39.4 mt -66.77 -42.94 90.06 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 O-C-N 122.071 -0.393 . . . . 33.1 110.669 -177.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 88.8 mt -58.98 -47.35 90.13 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-O 121.335 0.588 . . . . 30.34 110.153 175.947 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -60.89 -46.61 89.94 Favored 'General case' 0 C--O 1.236 0.372 0 O-C-N 122.116 -0.365 . . . . 28.65 111.119 -177.51 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.37 -41.42 94.49 Favored Glycine 0 C--N 1.334 0.432 0 C-N-CA 119.982 -1.104 . . . . 25.36 112.971 -179.096 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.0 m -68.35 -50.06 55.86 Favored 'General case' 0 C--O 1.238 0.475 0 O-C-N 122.133 -0.628 . . . . 27.75 111.177 -175.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.91 -38.44 90.97 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 120.105 -0.638 . . . . 30.03 111.104 -179.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.51 -50.82 52.89 Favored Glycine 0 C--N 1.334 0.425 0 C-N-CA 119.976 -1.107 . . . . 25.53 112.547 -178.158 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -59.96 -40.61 89.63 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 120.211 -0.595 . . . . 28.38 111.113 178.479 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -62.21 -47.61 83.66 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 120.804 0.335 . . . . 33.95 111.173 -178.68 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -80.14 -35.73 36.22 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 120.178 -0.609 . . . . 38.7 111.989 -175.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 90.1 mt -80.08 -49.5 18.97 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 C-N-CA 120.093 -0.643 . . . . 35.63 110.833 -175.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -95.77 -10.44 29.1 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 113.401 0.889 . . . . 34.07 113.401 -176.916 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.08 13.66 81.72 Favored Glycine 0 N--CA 1.448 -0.52 0 N-CA-C 116.115 1.206 . . . . 35.71 116.115 171.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLU . . . . . 0.492 ' OE1' ' O ' ' A' ' 201' ' ' HOH . 61.9 mm-40 -80.49 164.11 23.25 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 118.754 1.277 . . . . 36.69 110.445 176.561 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.9 p -66.52 161.74 22.29 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.834 0.826 . . . . 30.86 110.858 -178.216 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -57.8 -43.82 85.91 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.318 -0.856 . . . . 34.47 111.223 178.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.3 m -65.85 -47.48 74.82 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 120.821 -0.352 . . . . 32.14 111.227 -177.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.3 t -60.76 -36.37 70.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 C-N-CA 120.238 -0.585 . . . . 28.2 110.341 177.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 51.1 m -70.64 -36.55 73.47 Favored 'General case' 0 C--O 1.236 0.392 0 O-C-N 122.016 -0.428 . . . . 24.65 111.196 -176.03 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 44.7 tp -67.41 -43.74 80.51 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 120.561 -0.456 . . . . 27.67 111.12 175.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -59.45 -46.13 89.63 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 120.752 0.31 . . . . 25.13 111.103 176.02 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 69.3 t90 -61.7 -38.11 86.64 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 122.127 -0.358 . . . . 23.16 111.536 179.04 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.1 m -62.51 -48.17 80.75 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.642 -0.423 . . . . 23.7 111.188 -179.036 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -60.53 -47.73 84.86 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 120.975 0.417 . . . . 24.57 111.008 176.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 42.1 t -57.67 -32.73 43.19 Favored 'Isoleucine or valine' 0 C--O 1.238 0.474 0 O-C-N 122.135 -0.353 . . . . 22.64 110.843 -179.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 51.5 m -79.4 -53.39 6.96 Favored 'General case' 0 C--O 1.237 0.401 0 O-C-N 121.887 -0.508 . . . . 21.35 111.76 -177.123 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 47.5 pt -70.09 -17.08 20.7 Favored 'Isoleucine or valine' 0 C--O 1.239 0.529 0 C-N-CA 119.511 -0.876 . . . . 20.65 112.228 -175.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ALA . . . . . 0.423 ' O ' ' OG1' ' A' ' 59' ' ' THR . . . -83.06 -9.31 59.31 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 112.654 0.613 . . . . 20.5 112.654 170.932 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 58' ' ' ALA . 18.5 p 70.62 15.38 7.09 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 125.566 1.547 . . . . 21.71 112.883 -177.093 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 69.1 t -65.71 -52.14 53.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 C-N-CA 120.198 -0.601 . . . . 22.45 110.126 173.828 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 54.38 52.48 44.3 Favored Glycine 0 C--N 1.333 0.377 0 N-CA-C 116.561 1.384 . . . . 22.77 116.561 171.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -48.19 -41.93 28.46 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 117.652 0.726 . . . . 25.0 111.898 179.177 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.81 5.48 77.72 Favored Glycine 0 N--CA 1.444 -0.825 0 CA-C-O 119.152 -0.804 . . . . 21.29 114.958 -173.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -66.23 -23.77 66.48 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 118.646 1.223 . . . . 26.37 111.146 170.93 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -134.33 137.61 44.31 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.566 -0.902 . . . . 28.8 108.566 171.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.5 p -161.99 153.44 15.52 Favored Pre-proline 0 C--O 1.234 0.271 0 N-CA-C 108.638 -0.875 . . . . 26.94 108.638 -178.93 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -69.86 136.23 32.22 Favored 'Trans proline' 0 C--N 1.329 -0.478 0 CA-C-O 121.407 0.503 . . . . 25.82 111.411 -178.296 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 87.8 p -115.42 3.98 14.23 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 113.282 0.845 . . . . 37.09 113.282 178.705 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.0 p -114.31 153.31 46.48 Favored Pre-proline 0 C--O 1.236 0.353 0 CA-C-N 118.736 0.698 . . . . 32.68 110.449 175.84 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -54.86 -41.36 79.13 Favored 'Trans proline' 0 C--O 1.237 0.468 0 N-CA-C 113.425 0.51 . . . . 35.38 113.425 177.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.0 tp -64.99 -41.84 95.05 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.177 -0.609 . . . . 38.13 111.161 178.97 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -62.85 -34.74 90.66 Favored Glycine 0 C--N 1.334 0.449 0 C-N-CA 119.982 -1.104 . . . . 26.76 112.868 176.84 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 63.8 mtt -66.88 -44.68 80.26 Favored 'General case' 0 C--O 1.238 0.479 0 O-C-N 122.3 -0.53 . . . . 26.03 111.236 178.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' TYR . . . . . 0.57 ' O ' HG23 ' A' ' 78' ' ' THR . 40.5 t80 -60.97 -47.17 87.67 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.419 -0.512 . . . . 40.8 110.911 175.239 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -57.05 -41.74 79.28 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.648 -0.421 . . . . 29.77 111.266 178.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 23.8 m -64.87 -36.92 85.9 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 120.502 -0.479 . . . . 26.3 111.199 -178.204 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 32.8 t -61.12 -43.95 97.32 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 C-N-CA 120.442 -0.503 . . . . 26.81 110.504 175.137 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' THR . . . . . 0.57 HG23 ' O ' ' A' ' 74' ' ' TYR . 6.1 p -61.24 -41.63 97.22 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.1 -0.64 . . . . 28.4 111.169 179.547 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 60.1 tp -66.58 -38.92 88.05 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 120.374 -0.531 . . . . 24.79 111.241 177.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ILE . . . . . 0.709 HG23 HD12 ' A' ' 84' ' ' ILE . 54.6 mt -60.88 -44.5 97.92 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 C-N-CA 120.45 -0.5 . . . . 24.35 110.438 177.167 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.3 t -70.82 -33.46 52.48 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 O-C-N 121.938 -0.476 . . . . 28.49 111.31 -176.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 85.0 mt -92.25 -25.12 18.77 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 113.243 0.831 . . . . 36.18 113.243 -174.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -105.26 -28.3 5.55 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 117.296 1.678 . . . . 29.89 117.296 -169.221 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ILE . . . . . 0.709 HD12 HG23 ' A' ' 80' ' ' ILE . 53.3 mt -64.94 -43.44 96.23 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-N 117.59 0.695 . . . . 27.87 110.846 -176.175 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 85' ' ' GLY . . . . . 0.509 ' N ' HG13 ' A' ' 84' ' ' ILE . . . -69.96 -39.74 74.37 Favored Glycine 0 C--N 1.334 0.457 0 C-N-CA 119.929 -1.129 . . . . 28.06 112.087 178.332 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 24.6 m -63.0 -41.69 99.65 Favored 'General case' 0 C--O 1.236 0.357 0 O-C-N 122.353 -0.498 . . . . 33.6 110.949 178.162 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' PHE . . . . . 0.443 ' O ' HG13 ' A' ' 91' ' ' VAL . 56.8 t80 -66.24 -39.13 89.31 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.829 -0.349 . . . . 30.01 111.448 179.488 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ALA . . . . . 0.522 ' O ' HG22 ' A' ' 91' ' ' VAL . . . -62.57 -42.49 99.58 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.339 -0.544 . . . . 29.15 111.442 -179.406 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 41.7 t -66.78 -39.37 83.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 C-N-CA 120.065 -0.654 . . . . 33.55 110.538 178.581 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.8 -43.85 97.72 Favored 'General case' 0 C--O 1.238 0.453 0 O-C-N 121.785 -0.572 . . . . 33.93 111.337 -179.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' VAL . . . . . 0.522 HG22 ' O ' ' A' ' 88' ' ' ALA . 17.4 m -60.58 -46.56 95.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 C-N-CA 119.753 -0.779 . . . . 44.62 110.526 179.283 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -61.43 -37.97 85.45 Favored 'General case' 0 C--O 1.237 0.398 0 O-C-N 121.721 -0.612 . . . . 81.68 111.171 178.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ARG . . . . . 0.474 HH11 ' HG3' ' A' ' 93' ' ' ARG . 6.0 mmm-85 -68.74 -42.56 77.41 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.313 -0.555 . . . . 67.24 111.279 175.92 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.7 tp -60.27 -32.96 71.67 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.21 -0.596 . . . . 56.08 111.554 178.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' LEU . . . . . 0.403 HD22 ' CD1' ' A' ' 99' ' ' ILE . 11.4 mt -60.71 -38.44 85.03 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.464 -0.494 . . . . 77.19 111.161 176.017 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -66.57 -32.97 74.64 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.552 -0.459 . . . . 90.07 111.979 -177.002 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -86.04 -19.25 30.57 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 113.501 0.926 . . . . 97.94 113.501 -175.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.9 mt -100.6 -38.31 8.4 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.944 0.72 . . . . 88.03 112.944 177.006 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' ILE . . . . . 0.403 ' CD1' HD22 ' A' ' 95' ' ' LEU . 22.7 mt . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 118.313 0.506 . . . . 85.36 109.705 174.614 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ' K' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ' K' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ' K' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ' K' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ' K' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HEZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . 0.492 ' O ' ' OE1' ' A' ' 44' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 0 . 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 0 . 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 build full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.685 HG13 ' HD3' ' A' ' 22' ' ' ARG . 44.2 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.533 0.206 . . . . 64.659999999999997 110.61 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -56.74 142.88 91.64 Favored 'Trans proline' 0 C--O 1.234 0.303 0 O-C-N 122.828 0.91 . . . . 50.990000000000002 111.495 175.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.43 -34.54 74.11 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.463 -0.79 . . . . 43.5 111.984 -175.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 95.3 m -68.09 -37.15 80.89 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 119.922 -0.711 . . . . 36.350000000000001 111.247 -178.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.685 ' HD3' HG13 ' A' ' 18' ' ' VAL . 73.4 ttt180 -63.24 -43.64 97.45 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.073 -0.651 . . . . 46.479999999999997 110.956 175.184 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.4 mm -56.53 -38.21 55.57 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 CA-C-O 120.89 0.376 . . . . 33.909999999999997 110.364 175.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.0 tp -59.88 -47.93 83.76 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.424 -0.51 . . . . 31.289999999999999 110.963 177.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 24.9 mt -60.15 -40.15 88.83 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.565 -0.454 . . . . 35.030000000000001 111.376 179.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.5 mt -64.55 -45.6 86.43 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.44 -0.504 . . . . 34.649999999999999 111.261 -176.475 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.5 p -68.55 -32.77 56.61 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 C-N-CA 119.522 -0.871 . . . . 30.079999999999998 110.604 -179.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.8 mt -62.74 -43.82 97.81 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.169 -0.612 . . . . 29.48 110.948 174.667 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.13 -39.24 85.62 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.155 -0.618 . . . . 24.719999999999999 110.972 175.267 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.5 t -60.35 -42.19 89.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 C-N-CA 120.579 -0.448 . . . . 25.969999999999999 110.423 176.132 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 39.4 mt -66.77 -42.94 90.06 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 O-C-N 122.071 -0.393 . . . . 33.100000000000001 110.669 -177.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 88.8 mt -58.98 -47.35 90.13 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-O 121.335 0.588 . . . . 30.34 110.153 175.947 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -60.89 -46.61 89.94 Favored 'General case' 0 C--O 1.236 0.372 0 O-C-N 122.116 -0.365 . . . . 28.649999999999999 111.119 -177.51 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.37 -41.42 94.49 Favored Glycine 0 C--N 1.334 0.432 0 C-N-CA 119.982 -1.104 . . . . 25.359999999999999 112.971 -179.096 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.0 m -68.35 -50.06 55.86 Favored 'General case' 0 C--O 1.238 0.475 0 O-C-N 122.133 -0.628 . . . . 27.75 111.177 -175.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.91 -38.44 90.97 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 120.105 -0.638 . . . . 30.030000000000001 111.104 -179.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.51 -50.82 52.89 Favored Glycine 0 C--N 1.334 0.425 0 C-N-CA 119.976 -1.107 . . . . 25.530000000000001 112.547 -178.158 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -59.96 -40.61 89.63 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 120.211 -0.595 . . . . 28.379999999999999 111.113 178.479 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -62.21 -47.61 83.66 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 120.804 0.335 . . . . 33.950000000000003 111.173 -178.68 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -80.14 -35.73 36.22 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 120.178 -0.609 . . . . 38.700000000000003 111.989 -175.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 90.1 mt -80.08 -49.5 18.97 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 C-N-CA 120.093 -0.643 . . . . 35.630000000000003 110.833 -175.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -95.77 -10.44 29.1 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 113.401 0.889 . . . . 34.07 113.401 -176.916 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.08 13.66 81.72 Favored Glycine 0 N--CA 1.448 -0.52 0 N-CA-C 116.115 1.206 . . . . 35.710000000000001 116.115 171.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.492 ' OE1' ' O ' ' A' ' 201' ' ' HOH . 61.9 mm-40 -80.49 164.11 23.25 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 118.754 1.277 . . . . 36.689999999999998 110.445 176.561 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.9 p -66.52 161.74 22.29 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.834 0.826 . . . . 30.859999999999999 110.858 -178.216 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -57.8 -43.82 85.91 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.318 -0.856 . . . . 34.469999999999999 111.223 178.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.3 m -65.85 -47.48 74.82 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 120.821 -0.352 . . . . 32.140000000000001 111.227 -177.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.3 t -60.76 -36.37 70.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 C-N-CA 120.238 -0.585 . . . . 28.199999999999999 110.341 177.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 51.1 m -70.64 -36.55 73.47 Favored 'General case' 0 C--O 1.236 0.392 0 O-C-N 122.016 -0.428 . . . . 24.649999999999999 111.196 -176.03 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 44.7 tp -67.41 -43.74 80.51 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 120.561 -0.456 . . . . 27.670000000000002 111.12 175.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -59.45 -46.13 89.63 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 120.752 0.31 . . . . 25.129999999999999 111.103 176.02 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 69.3 t90 -61.7 -38.11 86.64 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 122.127 -0.358 . . . . 23.16 111.536 179.04 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.1 m -62.51 -48.17 80.75 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.642 -0.423 . . . . 23.699999999999999 111.188 -179.036 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -60.53 -47.73 84.86 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 120.975 0.417 . . . . 24.57 111.008 176.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 42.1 t -57.67 -32.73 43.19 Favored 'Isoleucine or valine' 0 C--O 1.238 0.474 0 O-C-N 122.135 -0.353 . . . . 22.640000000000001 110.843 -179.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 51.5 m -79.4 -53.39 6.96 Favored 'General case' 0 C--O 1.237 0.401 0 O-C-N 121.887 -0.508 . . . . 21.350000000000001 111.76 -177.123 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 47.5 pt -70.09 -17.08 20.7 Favored 'Isoleucine or valine' 0 C--O 1.239 0.529 0 C-N-CA 119.511 -0.876 . . . . 20.649999999999999 112.228 -175.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.423 ' O ' ' OG1' ' A' ' 59' ' ' THR . . . -83.06 -9.31 59.31 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 112.654 0.613 . . . . 20.5 112.654 170.932 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 58' ' ' ALA . 18.5 p 70.62 15.38 7.09 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 125.566 1.547 . . . . 21.710000000000001 112.883 -177.093 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 69.1 t -65.71 -52.14 53.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 C-N-CA 120.198 -0.601 . . . . 22.449999999999999 110.126 173.828 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 54.38 52.48 44.3 Favored Glycine 0 C--N 1.333 0.377 0 N-CA-C 116.561 1.384 . . . . 22.77 116.561 171.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -48.19 -41.93 28.46 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 117.652 0.726 . . . . 25.0 111.898 179.177 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.81 5.48 77.72 Favored Glycine 0 N--CA 1.444 -0.825 0 CA-C-O 119.152 -0.804 . . . . 21.289999999999999 114.958 -173.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -66.23 -23.77 66.48 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 118.646 1.223 . . . . 26.370000000000001 111.146 170.93 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -134.33 137.61 44.31 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.566 -0.902 . . . . 28.800000000000001 108.566 171.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.5 p -161.99 153.44 15.52 Favored Pre-proline 0 C--O 1.234 0.271 0 N-CA-C 108.638 -0.875 . . . . 26.940000000000001 108.638 -178.93 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -69.86 136.23 32.22 Favored 'Trans proline' 0 C--N 1.329 -0.478 0 CA-C-O 121.407 0.503 . . . . 25.82 111.411 -178.296 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 87.8 p -115.42 3.98 14.23 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 113.282 0.845 . . . . 37.090000000000003 113.282 178.705 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.0 p -114.31 153.31 46.48 Favored Pre-proline 0 C--O 1.236 0.353 0 CA-C-N 118.736 0.698 . . . . 32.68 110.449 175.84 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -54.86 -41.36 79.13 Favored 'Trans proline' 0 C--O 1.237 0.468 0 N-CA-C 113.425 0.51 . . . . 35.380000000000003 113.425 177.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.0 tp -64.99 -41.84 95.05 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.177 -0.609 . . . . 38.130000000000003 111.161 178.97 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -62.85 -34.74 90.66 Favored Glycine 0 C--N 1.334 0.449 0 C-N-CA 119.982 -1.104 . . . . 26.760000000000002 112.868 176.84 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 63.8 mtt -66.88 -44.68 80.26 Favored 'General case' 0 C--O 1.238 0.479 0 O-C-N 122.3 -0.53 . . . . 26.030000000000001 111.236 178.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.57 ' O ' HG23 ' A' ' 78' ' ' THR . 40.5 t80 -60.97 -47.17 87.67 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.419 -0.512 . . . . 40.799999999999997 110.911 175.239 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -57.05 -41.74 79.28 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.648 -0.421 . . . . 29.77 111.266 178.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 23.8 m -64.87 -36.92 85.9 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 120.502 -0.479 . . . . 26.300000000000001 111.199 -178.204 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 32.8 t -61.12 -43.95 97.32 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 C-N-CA 120.442 -0.503 . . . . 26.809999999999999 110.504 175.137 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' THR . . . . . 0.57 HG23 ' O ' ' A' ' 74' ' ' TYR . 6.1 p -61.24 -41.63 97.22 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.1 -0.64 . . . . 28.399999999999999 111.169 179.547 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 60.1 tp -66.58 -38.92 88.05 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 120.374 -0.531 . . . . 24.789999999999999 111.241 177.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.709 HG23 HD12 ' A' ' 84' ' ' ILE . 54.6 mt -60.88 -44.5 97.92 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 C-N-CA 120.45 -0.5 . . . . 24.350000000000001 110.438 177.167 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.3 t -70.82 -33.46 52.48 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 O-C-N 121.938 -0.476 . . . . 28.489999999999998 111.31 -176.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 85.0 mt -92.25 -25.12 18.77 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 113.243 0.831 . . . . 36.18 113.243 -174.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -105.26 -28.3 5.55 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 117.296 1.678 . . . . 29.890000000000001 117.296 -169.221 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.709 HD12 HG23 ' A' ' 80' ' ' ILE . 53.3 mt -64.94 -43.44 96.23 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-N 117.59 0.695 . . . . 27.870000000000001 110.846 -176.175 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.509 ' N ' HG13 ' A' ' 84' ' ' ILE . . . -69.96 -39.74 74.37 Favored Glycine 0 C--N 1.334 0.457 0 C-N-CA 119.929 -1.129 . . . . 28.059999999999999 112.087 178.332 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 24.6 m -63.0 -41.69 99.65 Favored 'General case' 0 C--O 1.236 0.357 0 O-C-N 122.353 -0.498 . . . . 33.600000000000001 110.949 178.162 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.443 ' O ' HG13 ' A' ' 91' ' ' VAL . 56.8 t80 -66.24 -39.13 89.31 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.829 -0.349 . . . . 30.010000000000002 111.448 179.488 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.522 ' O ' HG22 ' A' ' 91' ' ' VAL . . . -62.57 -42.49 99.58 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.339 -0.544 . . . . 29.149999999999999 111.442 -179.406 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 41.7 t -66.78 -39.37 83.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 C-N-CA 120.065 -0.654 . . . . 33.549999999999997 110.538 178.581 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.8 -43.85 97.72 Favored 'General case' 0 C--O 1.238 0.453 0 O-C-N 121.785 -0.572 . . . . 33.93 111.337 -179.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.522 HG22 ' O ' ' A' ' 88' ' ' ALA . 17.4 m -60.58 -46.56 95.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 C-N-CA 119.753 -0.779 . . . . 44.619999999999997 110.526 179.283 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -61.43 -37.97 85.45 Favored 'General case' 0 C--O 1.237 0.398 0 O-C-N 121.721 -0.612 . . . . 81.680000000000007 111.171 178.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.474 ' HG3' HH11 ' A' ' 93' ' ' ARG . 6.0 mmm-85 -68.74 -42.56 77.41 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.313 -0.555 . . . . 67.239999999999995 111.279 175.92 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.7 tp -60.27 -32.96 71.67 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.21 -0.596 . . . . 56.079999999999998 111.554 178.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.403 HD22 ' CD1' ' A' ' 99' ' ' ILE . 11.4 mt -60.71 -38.44 85.03 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.464 -0.494 . . . . 77.189999999999998 111.161 176.017 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -66.57 -32.97 74.64 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.552 -0.459 . . . . 90.069999999999993 111.979 -177.002 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -86.04 -19.25 30.57 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 113.501 0.926 . . . . 97.939999999999998 113.501 -175.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.9 mt -100.6 -38.31 8.4 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.944 0.72 . . . . 88.030000000000001 112.944 177.006 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.403 ' CD1' HD22 ' A' ' 95' ' ' LEU . 22.7 mt . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 118.313 0.506 . . . . 85.359999999999999 109.705 174.614 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ' K' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ' K' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ' K' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ' K' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ' K' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HEZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . 0.492 ' O ' ' OE1' ' A' ' 44' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 0 . 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 . 001 ecloud nobuild full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_