data_3ic4_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 3ic4 _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 ' -9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.957 0 CA-C-O 120.011 -0.327 . . . . 10.84 113.281 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . 82.94 32.1 27.39 Favored Glycine 0 C--O 1.192 -2.53 0 CA-C-N 118.738 1.269 . . . . 4.89 114.666 0.243 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -7' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -156.46 158.01 36.51 Favored 'General case' 0 C--O 1.255 1.371 0 N-CA-C 113.757 1.021 . . . . 2.78 113.757 -169.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -6' ' ' GLU . . . . . 0.756 ' OE1' ' NZ ' ' A' ' 44' ' ' LYS . 9.1 tp10 -148.61 152.43 36.74 Favored 'General case' 0 CA--C 1.506 -0.734 0 C-N-CA 119.781 -0.768 . . . . 15.79 111.91 177.11 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' -5' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -76.84 133.71 39.26 Favored 'General case' 0 N--CA 1.422 -1.84 0 CA-C-N 114.911 -1.04 . . . . 7.93 110.475 -175.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 44.2 mt -56.55 -39.21 73.04 Favored 'General case' 0 N--CA 1.502 2.159 0 CA-C-O 122.025 0.917 . . . . 2.0 112.927 178.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -3' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -78.7 -26.44 44.87 Favored 'General case' 0 C--O 1.249 1.062 0 O-C-N 121.562 -0.711 . . . . 7.73 112.343 -175.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -2' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -66.89 -28.78 68.6 Favored 'General case' 0 N--CA 1.427 -1.594 0 CA-C-O 123.63 1.681 . . . . 18.55 108.74 173.156 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -94.66 19.1 10.4 Favored 'General case' 0 C--N 1.316 -0.883 0 O-C-N 120.661 -1.274 . . . . 14.21 114.277 -175.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 92.23 8.77 62.63 Favored Glycine 0 N--CA 1.477 1.427 0 N-CA-C 117.847 1.899 . . . . 5.54 117.847 172.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' MSE . . . . . . . . . . . . . 37.9 mmt -83.24 -12.5 56.71 Favored 'General case' 0 C--O 1.247 0.935 0 CA-C-N 118.845 1.323 . . . . 4.65 113.684 -172.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.66 145.1 39.0 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-N 118.582 0.628 . . . . 2.86 109.309 175.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -69.36 -42.42 75.25 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 119.178 -1.009 . . . . 29.22 108.518 171.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 91.0 t -128.17 129.63 69.4 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 O-C-N 124.531 1.145 . . . . 2.0 110.666 173.824 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 64.6 tp -128.61 131.45 48.11 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.552 -0.749 . . . . 2.55 109.989 -179.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' MSE . . . . . . . . . . . . . 9.2 ttt -108.43 135.27 50.0 Favored 'General case' 0 C--O 1.249 1.059 0 O-C-N 124.95 1.406 . . . . 11.09 112.772 170.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -107.7 131.62 54.22 Favored 'General case' 0 C--O 1.224 -0.256 0 N-CA-C 107.435 -1.321 . . . . 9.55 107.435 169.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -164.47 -173.51 33.21 Favored Glycine 0 C--O 1.19 -2.625 0 C-N-CA 119.728 -1.225 . . . . 2.0 114.096 176.096 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.8 mt -115.46 141.86 47.48 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 107.462 -1.31 . . . . 9.25 107.462 170.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.9 p -70.72 -25.11 62.79 Favored 'General case' 0 C--O 1.266 1.939 0 CA-C-N 114.374 -1.285 . . . . 4.08 109.55 -171.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.2 p -87.79 -4.23 58.89 Favored 'General case' 0 C--O 1.254 1.325 0 C-N-CA 125.769 1.628 . . . . 8.22 115.005 -178.871 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.2 t -94.07 127.89 43.23 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-O 118.118 -0.944 . . . . 5.76 111.013 -172.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -69.34 -26.7 29.28 Favored 'Trans proline' 0 C--O 1.219 -0.474 0 N-CA-C 115.201 1.193 . . . . 2.18 115.201 -176.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -67.85 -40.79 83.62 Favored 'General case' 0 CA--C 1.484 -1.572 0 CA-C-O 121.015 0.436 . . . . 5.21 111.388 173.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.4 m -65.56 -42.62 91.63 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-N 114.833 -1.076 . . . . 2.0 112.145 175.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -56.24 -47.93 77.5 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 112.247 0.462 . . . . 4.92 112.247 173.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.2 mtm-85 -59.86 -44.39 94.17 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-O 122.781 1.277 . . . . 2.86 111.093 179.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 55.2 m -64.3 -41.72 96.72 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-N 114.84 -1.073 . . . . 2.0 110.998 179.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.2 tp -57.88 -45.89 85.71 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 121.704 0.764 . . . . 6.19 111.557 175.312 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -64.96 -35.97 82.9 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.872 -0.518 . . . . 2.0 111.164 178.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -57.19 -50.42 72.91 Favored 'General case' 0 CA--C 1.513 -0.473 0 C-N-CA 119.934 -0.706 . . . . 8.87 111.845 173.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.51 -38.3 90.54 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-N 115.34 -0.846 . . . . 2.0 109.714 -176.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -61.85 -44.83 96.05 Favored 'General case' 0 CA--C 1.497 -1.092 0 C-N-CA 119.953 -0.699 . . . . 7.64 111.801 178.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.8 ttt85 -68.53 -33.6 74.41 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.006 -0.997 . . . . 21.33 110.125 -177.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 -62.68 -32.56 73.66 Favored 'General case' 0 C--O 1.249 1.043 0 N-CA-C 112.935 0.717 . . . . 17.4 112.935 -179.173 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.23 8.74 71.17 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 120.246 -0.978 . . . . 11.58 113.887 174.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.3 m -82.73 144.76 9.58 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.309 0 C-N-CA 123.871 0.868 . . . . 14.34 110.255 176.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -66.44 127.05 30.8 Favored 'General case' 0 CA--C 1.499 -0.985 0 N-CA-C 103.658 -2.719 . . . . 20.16 103.658 170.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -147.62 161.01 42.01 Favored 'General case' 0 N--CA 1.434 -1.261 0 CA-C-O 122.631 1.205 . . . . 6.39 109.42 175.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -121.82 153.25 38.58 Favored 'General case' 0 N--CA 1.424 -1.768 0 CA-C-N 114.328 -1.305 . . . . 14.89 109.323 175.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.1 p -128.74 135.82 61.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 123.556 0.535 . . . . 8.26 109.904 177.11 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 82.6 mt -110.81 116.43 52.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.272 0.983 . . . . 5.8 109.452 168.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -90.93 111.01 22.27 Favored 'General case' 0 C--O 1.27 2.177 0 CA-C-O 122.531 1.158 . . . . 8.23 107.974 174.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 81.8 mt -70.52 -29.99 40.85 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 CA-C-N 114.248 -1.342 . . . . 2.16 107.852 -171.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -67.02 -19.73 65.74 Favored 'General case' 0 C--O 1.249 1.057 0 N-CA-C 116.909 2.188 . . . . 2.83 116.909 176.452 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -86.53 -4.35 59.16 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.231 0.826 . . . . 23.2 113.231 175.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.5 mt -96.46 159.58 14.87 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 125.071 1.348 . . . . 12.12 110.688 172.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -137.96 153.08 49.48 Favored 'General case' 0 CA--C 1.508 -0.658 0 N-CA-C 109.044 -0.725 . . . . 21.98 109.044 -179.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.3 -133.13 42.32 Favored Glycine 0 C--O 1.22 -0.742 0 CA-C-N 115.302 -0.863 . . . . 11.46 112.826 165.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -67.8 -33.01 73.96 Favored 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 113.084 0.772 . . . . 29.91 113.084 -177.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -63.81 -43.11 97.24 Favored 'General case' 0 CA--C 1.567 1.605 0 N-CA-C 108.495 -0.928 . . . . 24.66 108.495 178.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -61.77 -46.42 89.67 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 120.749 -0.381 . . . . 7.82 111.88 174.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -59.49 -40.07 85.8 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 120.997 0.427 . . . . 15.99 110.702 -179.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LYS . . . . . 0.756 ' NZ ' ' OE1' ' A' ' -6' ' ' GLU . 9.4 tttm -64.02 -42.04 97.24 Favored 'General case' 0 C--O 1.252 1.219 0 N-CA-C 112.358 0.503 . . . . 24.6 112.358 -179.722 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.0 t -69.55 -39.36 78.35 Favored 'Isoleucine or valine' 0 C--O 1.245 0.825 0 O-C-N 123.593 0.558 . . . . 4.07 111.069 178.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 75.2 mt -57.81 -43.96 85.21 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 CA-C-O 122.126 0.965 . . . . 2.0 112.656 173.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -67.97 -33.39 74.56 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 121.398 -0.814 . . . . 15.66 110.205 179.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -64.59 -46.6 81.99 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.391 1.256 . . . . 14.79 114.391 175.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' VAL . . . . . 0.879 ' CG1' ' O ' ' A' ' 165' ' ' HOH . 2.0 t -52.68 -45.42 48.62 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.299 0 C-N-CA 124.274 1.029 . . . . 8.21 109.649 172.881 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -65.33 -39.07 91.95 Favored 'General case' 0 CA--C 1.498 -1.028 0 C-N-CA 122.976 0.51 . . . . 3.5 110.428 -179.335 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.2 p -67.61 -24.27 65.46 Favored 'General case' 0 C--O 1.216 -0.685 0 C-N-CA 120.521 -0.472 . . . . 5.5 112.138 179.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 56.9 mt -85.19 -52.01 12.85 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.714 0 C-N-CA 122.995 0.518 . . . . 6.24 111.609 176.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 83.7 p -99.4 -14.82 18.99 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 120.446 -1.409 . . . . 2.0 114.599 -171.553 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 76.71 5.36 83.42 Favored Glycine 0 CA--C 1.48 -2.116 0 CA-C-O 119.828 -0.429 . . . . 2.0 113.91 -173.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.9 p -126.92 169.4 13.32 Favored 'General case' 0 C--O 1.254 1.319 0 CA-C-O 121.496 0.665 . . . . 2.0 110.777 -179.295 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -108.06 35.93 2.96 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 114.115 -1.402 . . . . 5.53 110.122 169.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 54.7 m -109.95 162.61 14.35 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 122.991 1.377 . . . . 4.67 113.204 174.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.8 m -140.74 161.75 52.55 Favored Pre-proline 0 CA--C 1.543 0.702 0 CA-C-N 112.92 -1.946 . . . . 4.27 107.009 177.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -73.0 152.47 98.32 Favored 'Cis proline' 0 N--CA 1.494 1.544 0 N-CA-C 114.737 1.014 . . . . 2.0 114.737 2.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 75.6 t -124.69 129.1 73.74 Favored 'Isoleucine or valine' 0 C--O 1.245 0.835 0 N-CA-C 107.671 -1.233 . . . . 2.0 107.671 166.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.3 t -117.62 129.01 74.72 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 N-CA-C 106.643 -1.614 . . . . 2.0 106.643 176.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 36.6 t -119.13 130.51 73.79 Favored 'Isoleucine or valine' 0 C--O 1.255 1.361 0 CA-C-N 113.515 -1.675 . . . . 6.16 109.954 -174.016 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -135.76 113.98 11.46 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 107.861 -1.163 . . . . 18.87 107.861 169.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.9 -126.48 36.94 Favored Glycine 0 N--CA 1.48 1.614 0 N-CA-C 108.629 -1.788 . . . . 4.64 108.629 -177.452 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -94.88 6.5 48.85 Favored 'General case' 0 CA--C 1.49 -1.336 0 N-CA-C 114.905 1.446 . . . . 11.17 114.905 178.274 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -110.48 157.16 19.91 Favored 'General case' 0 C--O 1.203 -1.388 0 N-CA-C 109.401 -0.592 . . . . 13.89 109.401 -177.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 -149.23 162.43 40.04 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-O 121.181 0.515 . . . . 2.0 110.15 176.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 42.3 t -125.17 131.7 72.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 107.189 -1.411 . . . . 2.0 107.189 168.356 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.1 tp -108.44 120.64 43.0 Favored 'General case' 0 N--CA 1.432 -1.353 0 N-CA-C 104.35 -2.463 . . . . 2.0 104.35 176.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.67 160.96 33.31 Favored Glycine 0 CA--C 1.527 0.808 0 CA-C-N 114.38 -1.282 . . . . 2.0 114.82 -179.156 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -78.15 104.26 8.62 Favored 'General case' 0 C--O 1.268 2.057 0 CA-C-O 122.343 1.068 . . . . 2.86 111.961 173.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -139.5 114.71 9.69 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 105.59 -2.004 . . . . 18.32 105.59 175.648 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -66.65 -41.61 87.95 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 118.414 -1.314 . . . . 20.27 113.751 -170.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -60.5 -48.04 83.49 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.846 -0.615 . . . . 27.09 110.167 -179.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -65.76 -38.2 88.42 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.112 0.412 . . . . 23.1 112.112 179.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 61.9 mt -66.5 -42.8 86.83 Favored 'General case' 0 C--O 1.199 -1.593 0 C-N-CA 120.215 -0.594 . . . . 2.49 111.721 176.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -61.12 -45.56 94.16 Favored 'General case' 0 C--O 1.198 -1.655 0 CA-C-N 118.62 0.645 . . . . 12.0 109.408 177.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -58.47 -44.25 89.25 Favored 'General case' 0 CA--C 1.563 1.447 0 N-CA-C 113.708 1.003 . . . . 23.46 113.708 175.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 48.1 tp -59.08 -48.44 81.61 Favored 'General case' 0 N--CA 1.449 -0.492 0 O-C-N 121.884 -0.51 . . . . 6.55 110.544 178.606 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 27.6 mm -77.72 -37.34 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 N-CA-C 108.798 -0.815 . . . . 10.0 108.798 -170.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -96.96 -38.3 9.85 Favored 'General case' 0 C--O 1.249 1.078 0 C-N-CA 120.003 -0.679 . . . . 13.75 110.894 -168.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.623 0 CA-C-O 119.535 -0.591 . . . . 18.24 112.513 -171.944 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 165' ' ' HOH . . . . . 0.879 ' O ' ' CG1' ' A' ' 49' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.957 0 CA-C-O 120.011 -0.327 . . . . 10.84 113.281 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . 82.94 32.1 27.39 Favored Glycine 0 C--O 1.192 -2.53 0 CA-C-N 118.738 1.269 . . . . 4.89 114.666 0.243 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -7' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -156.46 158.01 36.51 Favored 'General case' 0 C--O 1.255 1.371 0 N-CA-C 113.757 1.021 . . . . 2.78 113.757 -169.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -6' ' ' GLU . . . . . 0.72 ' OE1' ' NZ ' ' A' ' 44' ' ' LYS . 9.1 tp10 -148.61 152.43 36.74 Favored 'General case' 0 CA--C 1.506 -0.734 0 C-N-CA 119.781 -0.768 . . . . 15.79 111.91 177.11 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' -5' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -76.84 133.71 39.26 Favored 'General case' 0 N--CA 1.422 -1.84 0 CA-C-N 114.911 -1.04 . . . . 7.93 110.475 -175.223 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 44.2 mt -56.55 -39.21 73.04 Favored 'General case' 0 N--CA 1.502 2.159 0 CA-C-O 122.025 0.917 . . . . 2.0 112.927 178.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -3' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -78.7 -26.44 44.87 Favored 'General case' 0 C--O 1.249 1.062 0 O-C-N 121.562 -0.711 . . . . 7.73 112.343 -175.305 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -2' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -66.89 -28.78 68.6 Favored 'General case' 0 N--CA 1.427 -1.594 0 CA-C-O 123.63 1.681 . . . . 18.55 108.74 173.156 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -94.66 19.1 10.4 Favored 'General case' 0 C--N 1.316 -0.883 0 O-C-N 120.661 -1.274 . . . . 14.21 114.277 -175.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 92.23 8.77 62.63 Favored Glycine 0 N--CA 1.477 1.427 0 N-CA-C 117.847 1.899 . . . . 5.54 117.847 172.168 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MSE . . . . . . . . . . . . . 37.9 mmt -83.24 -12.5 56.71 Favored 'General case' 0 C--O 1.247 0.935 0 CA-C-N 118.845 1.323 . . . . 4.65 113.684 -172.542 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.66 145.1 39.0 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-N 118.582 0.628 . . . . 2.86 109.309 175.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -69.36 -42.42 75.25 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 119.178 -1.009 . . . . 29.22 108.518 171.931 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 91.0 t -128.17 129.63 69.4 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 O-C-N 124.531 1.145 . . . . 2.0 110.666 173.824 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 64.6 tp -128.61 131.45 48.11 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.552 -0.749 . . . . 2.55 109.989 -179.363 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' MSE . . . . . . . . . . . . . 9.2 ttt -108.43 135.27 50.0 Favored 'General case' 0 C--O 1.249 1.059 0 O-C-N 124.95 1.406 . . . . 11.09 112.772 170.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -107.7 131.62 54.22 Favored 'General case' 0 C--O 1.224 -0.256 0 N-CA-C 107.435 -1.321 . . . . 9.55 107.435 169.177 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -164.47 -173.51 33.21 Favored Glycine 0 C--O 1.19 -2.625 0 C-N-CA 119.728 -1.225 . . . . 2.0 114.096 176.096 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . 0.418 HD22 ' HB3' ' A' ' 35' ' ' ASP . 81.8 mt -115.46 141.86 47.48 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 107.462 -1.31 . . . . 9.25 107.462 170.68 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.9 p -70.72 -25.11 62.79 Favored 'General case' 0 C--O 1.266 1.939 0 CA-C-N 114.374 -1.285 . . . . 4.08 109.55 -171.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.2 p -87.79 -4.23 58.89 Favored 'General case' 0 C--O 1.254 1.325 0 C-N-CA 125.769 1.628 . . . . 8.22 115.005 -178.871 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.2 t -94.07 127.89 43.23 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-O 118.118 -0.944 . . . . 5.76 111.013 -172.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -69.34 -26.7 29.28 Favored 'Trans proline' 0 C--O 1.219 -0.474 0 N-CA-C 115.201 1.193 . . . . 2.18 115.201 -176.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -67.85 -40.79 83.62 Favored 'General case' 0 CA--C 1.484 -1.572 0 CA-C-O 121.015 0.436 . . . . 5.21 111.388 173.698 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.4 m -65.56 -42.62 91.63 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-N 114.833 -1.076 . . . . 2.0 112.145 175.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -56.24 -47.93 77.5 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 112.247 0.462 . . . . 4.92 112.247 173.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.2 mtm-85 -59.86 -44.39 94.17 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-O 122.781 1.277 . . . . 2.86 111.093 179.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 55.2 m -64.3 -41.72 96.72 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-N 114.84 -1.073 . . . . 2.0 110.998 179.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.2 tp -57.88 -45.89 85.71 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 121.704 0.764 . . . . 6.19 111.557 175.312 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -64.96 -35.97 82.9 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.872 -0.518 . . . . 2.0 111.164 178.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -57.19 -50.42 72.91 Favored 'General case' 0 CA--C 1.513 -0.473 0 C-N-CA 119.934 -0.706 . . . . 8.87 111.845 173.354 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.51 -38.3 90.54 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-N 115.34 -0.846 . . . . 2.0 109.714 -176.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -61.85 -44.83 96.05 Favored 'General case' 0 CA--C 1.497 -1.092 0 C-N-CA 119.953 -0.699 . . . . 7.64 111.801 178.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.8 ttt85 -68.53 -33.6 74.41 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.006 -0.997 . . . . 21.33 110.125 -177.136 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLU . . . . . 0.415 ' HG2' HG21 ' A' ' 80' ' ' ILE . 36.0 tp10 -62.68 -32.56 73.66 Favored 'General case' 0 C--O 1.249 1.043 0 N-CA-C 112.935 0.717 . . . . 17.4 112.935 -179.173 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.23 8.74 71.17 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 120.246 -0.978 . . . . 11.58 113.887 174.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' VAL . . . . . 0.524 HG11 ' CG2' ' A' ' 80' ' ' ILE . 15.3 m -82.73 144.76 9.58 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.309 0 C-N-CA 123.871 0.868 . . . . 14.34 110.255 176.779 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -66.44 127.05 30.8 Favored 'General case' 0 CA--C 1.499 -0.985 0 N-CA-C 103.658 -2.719 . . . . 20.16 103.658 170.073 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -147.62 161.01 42.01 Favored 'General case' 0 N--CA 1.434 -1.261 0 CA-C-O 122.631 1.205 . . . . 6.39 109.42 175.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -121.82 153.25 38.58 Favored 'General case' 0 N--CA 1.424 -1.768 0 CA-C-N 114.328 -1.305 . . . . 14.89 109.323 175.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.1 p -128.74 135.82 61.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 123.556 0.535 . . . . 8.26 109.904 177.11 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 82.6 mt -110.81 116.43 52.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.272 0.983 . . . . 5.8 109.452 168.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -90.93 111.01 22.27 Favored 'General case' 0 C--O 1.27 2.177 0 CA-C-O 122.531 1.158 . . . . 8.23 107.974 174.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 81.8 mt -70.52 -29.99 40.85 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 CA-C-N 114.248 -1.342 . . . . 2.16 107.852 -171.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ASP . . . . . 0.418 ' HB3' HD22 ' A' ' 9' ' ' LEU . 14.0 p-10 -67.02 -19.73 65.74 Favored 'General case' 0 C--O 1.249 1.057 0 N-CA-C 116.909 2.188 . . . . 2.83 116.909 176.452 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -86.53 -4.35 59.16 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.231 0.826 . . . . 23.2 113.231 175.334 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.5 mt -96.46 159.58 14.87 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 125.071 1.348 . . . . 12.12 110.688 172.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -137.96 153.08 49.48 Favored 'General case' 0 CA--C 1.508 -0.658 0 N-CA-C 109.044 -0.725 . . . . 21.98 109.044 -179.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.3 -133.13 42.32 Favored Glycine 0 C--O 1.22 -0.742 0 CA-C-N 115.302 -0.863 . . . . 11.46 112.826 165.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -67.8 -33.01 73.96 Favored 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 113.084 0.772 . . . . 29.91 113.084 -177.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 161' ' ' HOH . 43.7 tt0 -63.81 -43.11 97.24 Favored 'General case' 0 CA--C 1.567 1.605 0 N-CA-C 108.495 -0.928 . . . . 24.66 108.495 178.555 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -61.77 -46.42 89.67 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 120.749 -0.381 . . . . 7.82 111.88 174.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -59.49 -40.07 85.8 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 120.997 0.427 . . . . 15.99 110.702 -179.269 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LYS . . . . . 0.72 ' NZ ' ' OE1' ' A' ' -6' ' ' GLU . 9.4 tttm -64.02 -42.04 97.24 Favored 'General case' 0 C--O 1.252 1.219 0 N-CA-C 112.358 0.503 . . . . 24.6 112.358 -179.722 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.0 t -69.55 -39.36 78.35 Favored 'Isoleucine or valine' 0 C--O 1.245 0.825 0 O-C-N 123.593 0.558 . . . . 4.07 111.069 178.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 75.2 mt -57.81 -43.96 85.21 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 CA-C-O 122.126 0.965 . . . . 2.0 112.656 173.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -67.97 -33.39 74.56 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 121.398 -0.814 . . . . 15.66 110.205 179.532 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -64.59 -46.6 81.99 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.391 1.256 . . . . 14.79 114.391 175.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' VAL . . . . . 0.921 HG13 ' O ' ' A' ' 165' ' ' HOH . 2.0 t -52.68 -45.42 48.62 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.299 0 C-N-CA 124.274 1.029 . . . . 8.21 109.649 172.881 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -65.33 -39.07 91.95 Favored 'General case' 0 CA--C 1.498 -1.028 0 C-N-CA 122.976 0.51 . . . . 3.5 110.428 -179.335 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.2 p -67.61 -24.27 65.46 Favored 'General case' 0 C--O 1.216 -0.685 0 C-N-CA 120.521 -0.472 . . . . 5.5 112.138 179.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ILE . . . . . 0.536 HD13 HG21 ' A' ' 62' ' ' VAL . 56.9 mt -85.19 -52.01 12.85 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.714 0 C-N-CA 122.995 0.518 . . . . 6.24 111.609 176.31 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 83.7 p -99.4 -14.82 18.99 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 120.446 -1.409 . . . . 2.0 114.599 -171.553 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 76.71 5.36 83.42 Favored Glycine 0 CA--C 1.48 -2.116 0 CA-C-O 119.828 -0.429 . . . . 2.0 113.91 -173.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.9 p -126.92 169.4 13.32 Favored 'General case' 0 C--O 1.254 1.319 0 CA-C-O 121.496 0.665 . . . . 2.0 110.777 -179.295 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -108.06 35.93 2.96 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 114.115 -1.402 . . . . 5.53 110.122 169.51 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 54.7 m -109.95 162.61 14.35 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 122.991 1.377 . . . . 4.67 113.204 174.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' VAL . . . . . 0.473 ' HB ' ' HA ' ' A' ' 59' ' ' PRO . 18.8 m -140.74 161.75 52.55 Favored Pre-proline 0 CA--C 1.543 0.702 0 CA-C-N 112.92 -1.946 . . . . 4.27 107.009 177.318 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' PRO . . . . . 0.473 ' HA ' ' HB ' ' A' ' 58' ' ' VAL . 94.2 Cg_endo -73.0 152.47 98.32 Favored 'Cis proline' 0 N--CA 1.494 1.544 0 N-CA-C 114.737 1.014 . . . . 2.0 114.737 2.545 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 75.6 t -124.69 129.1 73.74 Favored 'Isoleucine or valine' 0 C--O 1.245 0.835 0 N-CA-C 107.671 -1.233 . . . . 2.0 107.671 166.571 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.3 t -117.62 129.01 74.72 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 N-CA-C 106.643 -1.614 . . . . 2.0 106.643 176.073 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' VAL . . . . . 0.536 HG21 HD13 ' A' ' 52' ' ' ILE . 36.6 t -119.13 130.51 73.79 Favored 'Isoleucine or valine' 0 C--O 1.255 1.361 0 CA-C-N 113.515 -1.675 . . . . 6.16 109.954 -174.016 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -135.76 113.98 11.46 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 107.861 -1.163 . . . . 18.87 107.861 169.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.9 -126.48 36.94 Favored Glycine 0 N--CA 1.48 1.614 0 N-CA-C 108.629 -1.788 . . . . 4.64 108.629 -177.452 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -94.88 6.5 48.85 Favored 'General case' 0 CA--C 1.49 -1.336 0 N-CA-C 114.905 1.446 . . . . 11.17 114.905 178.274 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -110.48 157.16 19.91 Favored 'General case' 0 C--O 1.203 -1.388 0 N-CA-C 109.401 -0.592 . . . . 13.89 109.401 -177.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 -149.23 162.43 40.04 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-O 121.181 0.515 . . . . 2.0 110.15 176.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 42.3 t -125.17 131.7 72.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 107.189 -1.411 . . . . 2.0 107.189 168.356 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.1 tp -108.44 120.64 43.0 Favored 'General case' 0 N--CA 1.432 -1.353 0 N-CA-C 104.35 -2.463 . . . . 2.0 104.35 176.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.67 160.96 33.31 Favored Glycine 0 CA--C 1.527 0.808 0 CA-C-N 114.38 -1.282 . . . . 2.0 114.82 -179.156 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -78.15 104.26 8.62 Favored 'General case' 0 C--O 1.268 2.057 0 CA-C-O 122.343 1.068 . . . . 2.86 111.961 173.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -139.5 114.71 9.69 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 105.59 -2.004 . . . . 18.32 105.59 175.648 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -66.65 -41.61 87.95 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 118.414 -1.314 . . . . 20.27 113.751 -170.838 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' GLU . . . . . 0.406 ' H ' ' CD ' ' A' ' 74' ' ' GLU . 5.7 mp0 -60.5 -48.04 83.49 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.846 -0.615 . . . . 27.09 110.167 -179.899 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 75' ' ' LYS . . . . . 0.416 ' HE3' ' O ' ' A' ' 144' ' ' HOH . 37.9 mtmt -65.76 -38.2 88.42 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.112 0.412 . . . . 23.1 112.112 179.851 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 61.9 mt -66.5 -42.8 86.83 Favored 'General case' 0 C--O 1.199 -1.593 0 C-N-CA 120.215 -0.594 . . . . 2.49 111.721 176.618 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -61.12 -45.56 94.16 Favored 'General case' 0 C--O 1.198 -1.655 0 CA-C-N 118.62 0.645 . . . . 12.0 109.408 177.208 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -58.47 -44.25 89.25 Favored 'General case' 0 CA--C 1.563 1.447 0 N-CA-C 113.708 1.003 . . . . 23.46 113.708 175.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 48.1 tp -59.08 -48.44 81.61 Favored 'General case' 0 N--CA 1.449 -0.492 0 O-C-N 121.884 -0.51 . . . . 6.55 110.544 178.606 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ILE . . . . . 0.524 ' CG2' HG11 ' A' ' 27' ' ' VAL . 27.6 mm -77.72 -37.34 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 N-CA-C 108.798 -0.815 . . . . 10.0 108.798 -170.358 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -96.96 -38.3 9.85 Favored 'General case' 0 C--O 1.249 1.078 0 C-N-CA 120.003 -0.679 . . . . 13.75 110.894 -168.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.623 0 CA-C-O 119.535 -0.591 . . . . 18.24 112.513 -171.944 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 144' ' ' HOH . . . . . 0.416 ' O ' ' HE3' ' A' ' 75' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 161' ' ' HOH . . . . . 0.468 ' O ' ' HG3' ' A' ' 41' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 165' ' ' HOH . . . . . 0.921 ' O ' HG13 ' A' ' 49' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.957 0 CA-C-O 120.011 -0.327 . . . . 10.84 113.281 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' -8' ' ' GLY . . . . . . . . . . . . . . . 82.94 32.1 27.39 Favored Glycine 0 C--O 1.192 -2.53 0 CA-C-N 118.738 1.269 . . . . 4.8899999999999997 114.666 0.243 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -7' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -156.46 158.01 36.51 Favored 'General case' 0 C--O 1.255 1.371 0 N-CA-C 113.757 1.021 . . . . 2.7799999999999998 113.757 -169.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -6' ' ' GLU . . . . . 0.72 ' OE1' ' NZ ' ' A' ' 44' ' ' LYS . 9.1 tp10 -148.61 152.43 36.74 Favored 'General case' 0 CA--C 1.506 -0.734 0 C-N-CA 119.781 -0.768 . . . . 15.789999999999999 111.91 177.11 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' -5' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -76.84 133.71 39.26 Favored 'General case' 0 N--CA 1.422 -1.84 0 CA-C-N 114.911 -1.04 . . . . 7.9299999999999997 110.475 -175.223 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -4' ' ' LEU . . . . . . . . . . . . . 44.2 mt -56.55 -39.21 73.04 Favored 'General case' 0 N--CA 1.502 2.159 0 CA-C-O 122.025 0.917 . . . . 2.0 112.927 178.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -3' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -78.7 -26.44 44.87 Favored 'General case' 0 C--O 1.249 1.062 0 O-C-N 121.562 -0.711 . . . . 7.7300000000000004 112.343 -175.305 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -2' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -66.89 -28.78 68.6 Favored 'General case' 0 N--CA 1.427 -1.594 0 CA-C-O 123.63 1.681 . . . . 18.550000000000001 108.74 173.156 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -1' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -94.66 19.1 10.4 Favored 'General case' 0 C--N 1.316 -0.883 0 O-C-N 120.661 -1.274 . . . . 14.210000000000001 114.277 -175.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 92.23 8.77 62.63 Favored Glycine 0 N--CA 1.477 1.427 0 N-CA-C 117.847 1.899 . . . . 5.54 117.847 172.168 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MSE . . . . . . . . . . . . . 37.9 mmt -83.24 -12.5 56.71 Favored 'General case' 0 C--O 1.247 0.935 0 CA-C-N 118.845 1.323 . . . . 4.6500000000000004 113.684 -172.542 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.66 145.1 39.0 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-N 118.582 0.628 . . . . 2.8599999999999999 109.309 175.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -69.36 -42.42 75.25 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 119.178 -1.009 . . . . 29.219999999999999 108.518 171.931 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 91.0 t -128.17 129.63 69.4 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 O-C-N 124.531 1.145 . . . . 2.0 110.666 173.824 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 64.6 tp -128.61 131.45 48.11 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.552 -0.749 . . . . 2.5499999999999998 109.989 -179.363 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' MSE . . . . . . . . . . . . . 9.2 ttt -108.43 135.27 50.0 Favored 'General case' 0 C--O 1.249 1.059 0 O-C-N 124.95 1.406 . . . . 11.09 112.772 170.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -107.7 131.62 54.22 Favored 'General case' 0 C--O 1.224 -0.256 0 N-CA-C 107.435 -1.321 . . . . 9.5500000000000007 107.435 169.177 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -164.47 -173.51 33.21 Favored Glycine 0 C--O 1.19 -2.625 0 C-N-CA 119.728 -1.225 . . . . 2.0 114.096 176.096 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.418 HD22 ' HB3' ' A' ' 35' ' ' ASP . 81.8 mt -115.46 141.86 47.48 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 107.462 -1.31 . . . . 9.25 107.462 170.68 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.9 p -70.72 -25.11 62.79 Favored 'General case' 0 C--O 1.266 1.939 0 CA-C-N 114.374 -1.285 . . . . 4.0800000000000001 109.55 -171.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.2 p -87.79 -4.23 58.89 Favored 'General case' 0 C--O 1.254 1.325 0 C-N-CA 125.769 1.628 . . . . 8.2200000000000006 115.005 -178.871 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.2 t -94.07 127.89 43.23 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-O 118.118 -0.944 . . . . 5.7599999999999998 111.013 -172.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -69.34 -26.7 29.28 Favored 'Trans proline' 0 C--O 1.219 -0.474 0 N-CA-C 115.201 1.193 . . . . 2.1800000000000002 115.201 -176.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -67.85 -40.79 83.62 Favored 'General case' 0 CA--C 1.484 -1.572 0 CA-C-O 121.015 0.436 . . . . 5.21 111.388 173.698 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.4 m -65.56 -42.62 91.63 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-N 114.833 -1.076 . . . . 2.0 112.145 175.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -56.24 -47.93 77.5 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 112.247 0.462 . . . . 4.9199999999999999 112.247 173.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.2 mtm-85 -59.86 -44.39 94.17 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-O 122.781 1.277 . . . . 2.8599999999999999 111.093 179.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 55.2 m -64.3 -41.72 96.72 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-N 114.84 -1.073 . . . . 2.0 110.998 179.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.2 tp -57.88 -45.89 85.71 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 121.704 0.764 . . . . 6.1900000000000004 111.557 175.312 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -64.96 -35.97 82.9 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.872 -0.518 . . . . 2.0 111.164 178.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -57.19 -50.42 72.91 Favored 'General case' 0 CA--C 1.513 -0.473 0 C-N-CA 119.934 -0.706 . . . . 8.8699999999999992 111.845 173.354 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.51 -38.3 90.54 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-N 115.34 -0.846 . . . . 2.0 109.714 -176.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -61.85 -44.83 96.05 Favored 'General case' 0 CA--C 1.497 -1.092 0 C-N-CA 119.953 -0.699 . . . . 7.6399999999999997 111.801 178.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.8 ttt85 -68.53 -33.6 74.41 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.006 -0.997 . . . . 21.329999999999998 110.125 -177.136 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.415 ' HG2' HG21 ' A' ' 80' ' ' ILE . 36.0 tp10 -62.68 -32.56 73.66 Favored 'General case' 0 C--O 1.249 1.043 0 N-CA-C 112.935 0.717 . . . . 17.399999999999999 112.935 -179.173 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.23 8.74 71.17 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 120.246 -0.978 . . . . 11.58 113.887 174.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.524 HG11 ' CG2' ' A' ' 80' ' ' ILE . 15.3 m -82.73 144.76 9.58 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.309 0 C-N-CA 123.871 0.868 . . . . 14.34 110.255 176.779 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -66.44 127.05 30.8 Favored 'General case' 0 CA--C 1.499 -0.985 0 N-CA-C 103.658 -2.719 . . . . 20.16 103.658 170.073 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -147.62 161.01 42.01 Favored 'General case' 0 N--CA 1.434 -1.261 0 CA-C-O 122.631 1.205 . . . . 6.3899999999999997 109.42 175.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -121.82 153.25 38.58 Favored 'General case' 0 N--CA 1.424 -1.768 0 CA-C-N 114.328 -1.305 . . . . 14.890000000000001 109.323 175.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.1 p -128.74 135.82 61.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 123.556 0.535 . . . . 8.2599999999999998 109.904 177.11 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 82.6 mt -110.81 116.43 52.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.272 0.983 . . . . 5.7999999999999998 109.452 168.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -90.93 111.01 22.27 Favored 'General case' 0 C--O 1.27 2.177 0 CA-C-O 122.531 1.158 . . . . 8.2300000000000004 107.974 174.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 81.8 mt -70.52 -29.99 40.85 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 CA-C-N 114.248 -1.342 . . . . 2.1600000000000001 107.852 -171.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.418 ' HB3' HD22 ' A' ' 9' ' ' LEU . 14.0 p-10 -67.02 -19.73 65.74 Favored 'General case' 0 C--O 1.249 1.057 0 N-CA-C 116.909 2.188 . . . . 2.8300000000000001 116.909 176.452 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -86.53 -4.35 59.16 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.231 0.826 . . . . 23.199999999999999 113.231 175.334 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.5 mt -96.46 159.58 14.87 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 125.071 1.348 . . . . 12.119999999999999 110.688 172.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -137.96 153.08 49.48 Favored 'General case' 0 CA--C 1.508 -0.658 0 N-CA-C 109.044 -0.725 . . . . 21.98 109.044 -179.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.3 -133.13 42.32 Favored Glycine 0 C--O 1.22 -0.742 0 CA-C-N 115.302 -0.863 . . . . 11.460000000000001 112.826 165.33 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -67.8 -33.01 73.96 Favored 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 113.084 0.772 . . . . 29.91 113.084 -177.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 161' ' ' HOH . 43.7 tt0 -63.81 -43.11 97.24 Favored 'General case' 0 CA--C 1.567 1.605 0 N-CA-C 108.495 -0.928 . . . . 24.66 108.495 178.555 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -61.77 -46.42 89.67 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 120.749 -0.381 . . . . 7.8200000000000003 111.88 174.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -59.49 -40.07 85.8 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 120.997 0.427 . . . . 15.99 110.702 -179.269 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.72 ' NZ ' ' OE1' ' A' ' -6' ' ' GLU . 9.4 tttm -64.02 -42.04 97.24 Favored 'General case' 0 C--O 1.252 1.219 0 N-CA-C 112.358 0.503 . . . . 24.600000000000001 112.358 -179.722 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.0 t -69.55 -39.36 78.35 Favored 'Isoleucine or valine' 0 C--O 1.245 0.825 0 O-C-N 123.593 0.558 . . . . 4.0700000000000003 111.069 178.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 75.2 mt -57.81 -43.96 85.21 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 CA-C-O 122.126 0.965 . . . . 2.0 112.656 173.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -67.97 -33.39 74.56 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 121.398 -0.814 . . . . 15.66 110.205 179.532 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -64.59 -46.6 81.99 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.391 1.256 . . . . 14.789999999999999 114.391 175.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.921 HG13 ' O ' ' A' ' 165' ' ' HOH . 2.0 t -52.68 -45.42 48.62 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.299 0 C-N-CA 124.274 1.029 . . . . 8.2100000000000009 109.649 172.881 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -65.33 -39.07 91.95 Favored 'General case' 0 CA--C 1.498 -1.028 0 C-N-CA 122.976 0.51 . . . . 3.5 110.428 -179.335 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.2 p -67.61 -24.27 65.46 Favored 'General case' 0 C--O 1.216 -0.685 0 C-N-CA 120.521 -0.472 . . . . 5.5 112.138 179.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.536 HD13 HG21 ' A' ' 62' ' ' VAL . 56.9 mt -85.19 -52.01 12.85 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.714 0 C-N-CA 122.995 0.518 . . . . 6.2400000000000002 111.609 176.31 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 83.7 p -99.4 -14.82 18.99 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 120.446 -1.409 . . . . 2.0 114.599 -171.553 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 76.71 5.36 83.42 Favored Glycine 0 CA--C 1.48 -2.116 0 CA-C-O 119.828 -0.429 . . . . 2.0 113.91 -173.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.9 p -126.92 169.4 13.32 Favored 'General case' 0 C--O 1.254 1.319 0 CA-C-O 121.496 0.665 . . . . 2.0 110.777 -179.295 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -108.06 35.93 2.96 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 114.115 -1.402 . . . . 5.5300000000000002 110.122 169.51 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 54.7 m -109.95 162.61 14.35 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 122.991 1.377 . . . . 4.6699999999999999 113.204 174.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.473 ' HB ' ' HA ' ' A' ' 59' ' ' PRO . 18.8 m -140.74 161.75 52.55 Favored Pre-proline 0 CA--C 1.543 0.702 0 CA-C-N 112.92 -1.946 . . . . 4.2699999999999996 107.009 177.318 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.473 ' HA ' ' HB ' ' A' ' 58' ' ' VAL . 94.2 Cg_endo -73.0 152.47 98.32 Favored 'Cis proline' 0 N--CA 1.494 1.544 0 N-CA-C 114.737 1.014 . . . . 2.0 114.737 2.545 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 75.6 t -124.69 129.1 73.74 Favored 'Isoleucine or valine' 0 C--O 1.245 0.835 0 N-CA-C 107.671 -1.233 . . . . 2.0 107.671 166.571 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.3 t -117.62 129.01 74.72 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 N-CA-C 106.643 -1.614 . . . . 2.0 106.643 176.073 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.536 HG21 HD13 ' A' ' 52' ' ' ILE . 36.6 t -119.13 130.51 73.79 Favored 'Isoleucine or valine' 0 C--O 1.255 1.361 0 CA-C-N 113.515 -1.675 . . . . 6.1600000000000001 109.954 -174.016 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -135.76 113.98 11.46 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 107.861 -1.163 . . . . 18.870000000000001 107.861 169.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.9 -126.48 36.94 Favored Glycine 0 N--CA 1.48 1.614 0 N-CA-C 108.629 -1.788 . . . . 4.6399999999999997 108.629 -177.452 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -94.88 6.5 48.85 Favored 'General case' 0 CA--C 1.49 -1.336 0 N-CA-C 114.905 1.446 . . . . 11.17 114.905 178.274 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -110.48 157.16 19.91 Favored 'General case' 0 C--O 1.203 -1.388 0 N-CA-C 109.401 -0.592 . . . . 13.890000000000001 109.401 -177.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 -149.23 162.43 40.04 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-O 121.181 0.515 . . . . 2.0 110.15 176.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 42.3 t -125.17 131.7 72.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 107.189 -1.411 . . . . 2.0 107.189 168.356 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.1 tp -108.44 120.64 43.0 Favored 'General case' 0 N--CA 1.432 -1.353 0 N-CA-C 104.35 -2.463 . . . . 2.0 104.35 176.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.67 160.96 33.31 Favored Glycine 0 CA--C 1.527 0.808 0 CA-C-N 114.38 -1.282 . . . . 2.0 114.82 -179.156 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -78.15 104.26 8.62 Favored 'General case' 0 C--O 1.268 2.057 0 CA-C-O 122.343 1.068 . . . . 2.8599999999999999 111.961 173.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -139.5 114.71 9.69 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 105.59 -2.004 . . . . 18.32 105.59 175.648 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -66.65 -41.61 87.95 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 118.414 -1.314 . . . . 20.27 113.751 -170.838 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.406 ' H ' ' CD ' ' A' ' 74' ' ' GLU . 5.7 mp0 -60.5 -48.04 83.49 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.846 -0.615 . . . . 27.09 110.167 -179.899 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.416 ' HE3' ' O ' ' A' ' 144' ' ' HOH . 37.9 mtmt -65.76 -38.2 88.42 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.112 0.412 . . . . 23.100000000000001 112.112 179.851 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 61.9 mt -66.5 -42.8 86.83 Favored 'General case' 0 C--O 1.199 -1.593 0 C-N-CA 120.215 -0.594 . . . . 2.4900000000000002 111.721 176.618 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -61.12 -45.56 94.16 Favored 'General case' 0 C--O 1.198 -1.655 0 CA-C-N 118.62 0.645 . . . . 12.0 109.408 177.208 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -58.47 -44.25 89.25 Favored 'General case' 0 CA--C 1.563 1.447 0 N-CA-C 113.708 1.003 . . . . 23.460000000000001 113.708 175.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 48.1 tp -59.08 -48.44 81.61 Favored 'General case' 0 N--CA 1.449 -0.492 0 O-C-N 121.884 -0.51 . . . . 6.5499999999999998 110.544 178.606 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.524 ' CG2' HG11 ' A' ' 27' ' ' VAL . 27.6 mm -77.72 -37.34 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 N-CA-C 108.798 -0.815 . . . . 10.0 108.798 -170.358 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -96.96 -38.3 9.85 Favored 'General case' 0 C--O 1.249 1.078 0 C-N-CA 120.003 -0.679 . . . . 13.75 110.894 -168.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.623 0 CA-C-O 119.535 -0.591 . . . . 18.239999999999998 112.513 -171.944 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' HOH . . . . . 0.416 ' O ' ' HE3' ' A' ' 75' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 161' ' ' HOH . . . . . 0.468 ' O ' ' HG3' ' A' ' 41' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 165' ' ' HOH . . . . . 0.921 ' O ' HG13 ' A' ' 49' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_