data_4xp8_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 4xp8 _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 ' 18' ' ' MSE . . . . . . . . . . . . . 6.9 mtp . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 110.126 -0.324 . . . . 71.09 110.126 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -76.04 166.78 22.99 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 122.194 0.997 . . . . 48.02 110.356 176.103 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 79.5 m -66.06 -27.13 67.85 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 113.798 -1.546 . . . . 54.16 112.69 -175.217 -60.522 168.955 78.299 107.869 2.037 105.377 -105.144 -68.379 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -68.38 -42.75 78.67 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 121.333 0.587 . . . . 30.79 110.985 174.041 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -64.92 -43.22 93.51 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 112.457 0.539 . . . . 67.5 112.457 177.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 86.6 mt -63.32 -43.43 98.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-O 121.541 0.686 . . . . 40.79 109.254 -179.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 95.3 m -72.48 -43.44 63.67 Favored 'General case' 0 N--CA 1.442 -0.828 0 N-CA-C 107.309 -1.367 . . . . 25.22 107.309 -173.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.36 -39.57 96.33 Favored Glycine 0 C--N 1.336 0.536 0 O-C-N 123.842 0.713 . . . . 27.43 113.247 178.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -62.68 -39.9 95.4 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 114.885 -0.657 . . . . 44.3 111.53 178.298 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.8 -40.78 72.3 Favored 'General case' 0 C--O 1.203 -1.379 0 C-N-CA 122.788 0.435 . . . . 30.67 111.637 -174.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -108.82 11.5 26.16 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 123.254 0.622 . . . . 50.19 112.372 -170.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.1 m120 56.54 45.23 22.74 Favored 'General case' 0 C--O 1.203 -1.382 0 C-N-CA 123.515 0.726 . . . . 47.67 111.827 178.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 92.4 mt -117.0 133.02 65.04 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 104.569 -2.382 . . . . 34.79 104.569 177.049 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -53.23 124.15 37.71 Favored Pre-proline 0 CA--C 1.545 0.774 0 N-CA-C 107.581 -1.266 . . . . 48.39 107.581 174.006 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -57.32 -30.17 86.72 Favored 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 118.148 -0.768 . . . . 34.31 113.826 -178.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.7 tp -62.83 -30.11 71.24 Favored 'General case' 0 C--O 1.254 1.314 0 C-N-CA 123.158 0.583 . . . . 48.13 112.162 177.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.9 mm -65.07 -47.79 86.44 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.287 0 O-C-N 123.64 0.588 . . . . 37.43 109.437 176.926 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 67.8 mt -61.85 -40.59 95.86 Favored 'General case' 0 C--O 1.269 2.114 0 CA-C-O 121.678 0.751 . . . . 27.59 112.999 177.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -66.51 -43.9 84.01 Favored 'General case' 0 N--CA 1.425 -1.724 0 CA-C-N 114.889 -1.051 . . . . 42.77 108.771 176.072 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.77 -32.71 74.3 Favored 'General case' 0 C--O 1.255 1.356 0 C-N-CA 118.724 -1.19 . . . . 27.59 110.847 -179.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 71.2 mt -66.26 -47.33 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.182 0 O-C-N 122.087 -0.383 . . . . 27.39 110.953 175.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.37 -42.11 86.24 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 124.032 0.832 . . . . 25.91 111.589 177.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 74.9 t-105 -64.99 -44.43 89.31 Favored 'General case' 0 N--CA 1.434 -1.235 0 CA-C-N 115.676 -0.693 . . . . 35.97 112.463 177.777 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -65.25 -38.83 91.56 Favored 'General case' 0 C--O 1.212 -0.905 0 N-CA-C 113.487 0.921 . . . . 49.34 113.487 -179.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -86.59 -41.43 14.29 Favored 'General case' 0 C--O 1.197 -1.66 0 CA-C-N 115.172 -0.922 . . . . 58.5 113.032 -168.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 93.8 p -133.0 1.51 3.56 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.743 1.016 . . . . 34.92 113.743 -173.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm 49.51 44.57 24.17 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 111.814 0.302 . . . . 57.17 111.814 -165.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 55.57 45.3 25.16 Favored 'General case' 0 CA--C 1.494 -1.197 0 C-N-CA 124.637 1.175 . . . . 50.79 110.5 175.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -118.79 119.7 35.16 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 106.64 -1.615 . . . . 58.97 106.64 -177.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASN . . . . . 0.473 ' OD1' ' O ' ' A' ' 213' ' ' HOH . 37.0 t-20 -86.22 165.35 16.58 Favored 'General case' 0 CA--C 1.553 1.085 0 CA-C-N 114.448 -1.251 . . . . 62.14 110.335 174.126 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.07 5.42 85.9 Favored Glycine 0 C--O 1.219 -0.832 0 N-CA-C 116.913 1.525 . . . . 57.59 116.913 172.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 14.5 mt -118.07 139.05 46.73 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 CA-C-N 118.969 1.385 . . . . 65.68 113.213 -174.183 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -102.51 138.94 38.76 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 107.939 -1.134 . . . . 74.98 107.939 168.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 54.3 p -69.2 169.16 12.6 Favored 'General case' 0 C--O 1.211 -0.947 0 N-CA-C 107.832 -1.173 . . . . 43.38 107.832 178.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.3 pttt -66.51 164.92 15.49 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 106.17 -1.789 . . . . 78.14 106.17 164.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.9 mm -79.38 131.65 33.81 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 N-CA-C 106.902 -1.518 . . . . 45.49 106.902 -168.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -56.37 159.51 3.58 Favored 'General case' 0 C--O 1.254 1.335 0 N-CA-C 114.607 1.336 . . . . 42.14 114.607 172.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -56.83 -35.2 68.53 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.238 -0.892 . . . . 69.93 112.544 178.79 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 42.1 p-10 -78.91 -0.04 29.28 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 113.665 0.987 . . . . 43.37 113.665 177.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.37 -4.1 76.55 Favored Glycine 0 C--N 1.347 1.177 0 C-N-CA 123.324 0.488 . . . . 38.98 113.052 173.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 34.2 p -81.88 176.78 9.29 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 107.966 -1.124 . . . . 35.44 107.966 173.274 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -150.16 156.03 40.88 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.434 -0.803 . . . . 35.55 110.652 -178.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -107.41 138.09 44.26 Favored 'General case' 0 CA--C 1.505 -0.781 0 C-N-CA 123.883 0.873 . . . . 42.76 111.255 -172.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.7 mt -124.11 122.26 63.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 O-C-N 124.42 1.075 . . . . 31.6 112.637 -162.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 76.72 -162.29 51.87 Favored Glycine 0 N--CA 1.467 0.755 0 N-CA-C 116.514 1.365 . . . . 28.74 116.514 168.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . 0.29 6.2 tt -61.98 -40.94 89.05 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.007 0 N-CA-C 112.51 0.559 . . . . 28.2 112.51 -166.722 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' MSE . . . . . . . . . . . . . 81.8 mmm -95.7 1.34 53.41 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.66 -0.65 . . . . 31.59 111.916 179.11 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 55.44 59.96 3.62 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-O 122.572 1.177 . . . . 37.37 111.452 175.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 54.7 mt -74.74 133.12 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.057 0 CA-C-N 114.146 -1.388 . . . . 33.73 108.653 175.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -70.43 142.37 52.01 Favored 'General case' 0 C--O 1.254 1.303 0 CA-C-N 115.458 -0.792 . . . . 31.89 109.69 -176.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 59.4 p -59.12 -20.79 56.72 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 115.869 1.803 . . . . 30.78 115.869 176.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 87.9 p -59.15 -22.2 60.55 Favored 'General case' 0 C--O 1.246 0.915 0 N-CA-C 114.938 1.458 . . . . 38.3 114.938 175.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -84.38 -10.8 57.25 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 116.6 2.074 . . . . 37.95 116.6 177.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.0 mt -56.4 -38.26 71.27 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.218 1.192 . . . . 45.17 114.218 -178.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -59.24 -57.42 13.1 Favored 'General case' 0 C--O 1.245 0.82 0 CA-C-O 120.819 0.342 . . . . 60.3 111.56 178.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.5 tt -48.17 -48.13 34.71 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.421 -0.354 . . . . 72.88 110.488 174.156 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 47.6 mt -66.47 -31.82 72.8 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 115.182 1.549 . . . . 48.31 115.182 -171.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 84.0 p -58.47 -36.75 74.2 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.704 1.002 . . . . 59.24 113.704 177.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -50.84 -35.94 35.04 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 112.388 0.514 . . . . 89.91 112.388 170.759 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -96.39 15.2 21.95 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 114.338 1.236 . . . . 79.97 114.338 178.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 66.22 33.5 7.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 118.485 0.584 . . . . 82.89 112.129 174.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.1 mt -113.3 117.77 56.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 108.961 -0.755 . . . . 48.79 108.961 172.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 94.0 p -95.81 175.14 6.62 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-O 121.78 0.8 . . . . 48.88 111.048 -176.007 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -65.26 -41.37 94.34 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.464 -0.789 . . . . 54.0 110.974 174.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -57.79 -45.62 85.78 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 120.515 -0.474 . . . . 67.76 112.094 179.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -52.32 -54.59 29.64 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 124.181 0.926 . . . . 61.45 112.735 174.351 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.7 mt -58.22 -34.92 70.94 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.214 1.19 . . . . 38.34 114.214 177.472 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 47.5 tp -79.74 -43.01 23.39 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 120.841 0.353 . . . . 40.88 110.48 -173.162 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -112.39 -4.58 14.24 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 114.599 1.333 . . . . 49.28 114.599 -169.078 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -117.5 102.25 9.04 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 122.462 1.125 . . . . 44.29 111.402 176.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.44 -40.83 97.85 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 114.061 -1.427 . . . . 41.0 110.885 -167.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 91.5 m -68.46 -35.52 77.67 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.66 0.615 . . . . 57.59 112.66 -178.087 -68.379 -105.144 78.299 105.377 2.037 107.869 168.955 -60.522 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 69.1 mt -66.38 -47.93 82.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 108.851 -0.796 . . . . 43.61 108.851 174.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -53.28 -52.3 59.52 Favored 'General case' 0 C--O 1.249 1.031 0 C-N-CA 119.484 -0.887 . . . . 28.77 111.355 179.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 55.5 mt -58.52 -45.51 90.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 CA-C-N 114.626 -1.17 . . . . 29.94 111.208 -178.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 65.7 p -67.61 -34.98 78.08 Favored 'General case' 0 C--O 1.246 0.879 0 N-CA-C 113.491 0.923 . . . . 44.79 113.491 -179.361 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 70.8 t -66.35 -41.1 88.31 Favored 'Isoleucine or valine' 0 C--O 1.248 0.985 0 C-N-CA 120.373 -0.531 . . . . 30.74 111.554 175.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.28 95.7 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 120.957 0.408 . . . . 30.8 110.594 178.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -57.09 -48.18 81.69 Favored Glycine 0 CA--C 1.498 -0.97 0 CA-C-N 115.722 -0.672 . . . . 30.12 111.766 177.049 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -60.62 -41.57 95.09 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.313 0.578 . . . . 59.29 112.146 178.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 78.5 mt -68.99 -48.37 70.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.402 -0.519 . . . . 36.66 110.384 -177.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 18.6 mt -60.69 -39.57 88.97 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 112.652 0.612 . . . . 37.36 112.652 178.312 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.66 -16.09 62.78 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 115.631 1.715 . . . . 44.64 115.631 174.753 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.9 p -99.17 178.42 4.92 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.675 -1.266 . . . . 47.65 110.816 179.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -99.26 35.13 1.99 Allowed 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.452 -1.405 . . . . 76.41 113.224 170.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 48.4 mt -78.74 139.57 18.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 105.702 -1.962 . . . . 64.48 105.702 163.658 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -69.2 128.02 35.15 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 108.715 -0.846 . . . . 76.78 108.715 173.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 68.6 t80 . . . . . 0 N--CA 1.471 0.587 0 N-CA-C 112.531 0.567 . . . . 60.54 112.531 -170.709 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . 0.473 ' O ' ' OD1' ' A' ' 47' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 18' ' ' MSE . . . . . . . . . . . . . 6.9 mtp . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 110.126 -0.324 . . . . 71.090000000000003 110.126 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -76.04 166.78 22.99 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 122.194 0.997 . . . . 48.020000000000003 110.356 176.103 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 79.5 m -66.06 -27.13 67.85 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 113.798 -1.546 . . . . 54.159999999999997 112.69 -175.217 -60.522 168.955 78.299 107.869 2.037 105.377 -105.144 -68.379 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -68.38 -42.75 78.67 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 121.333 0.587 . . . . 30.789999999999999 110.985 174.041 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -64.92 -43.22 93.51 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 112.457 0.539 . . . . 67.5 112.457 177.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 86.6 mt -63.32 -43.43 98.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-O 121.541 0.686 . . . . 40.789999999999999 109.254 -179.675 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 95.3 m -72.48 -43.44 63.67 Favored 'General case' 0 N--CA 1.442 -0.828 0 N-CA-C 107.309 -1.367 . . . . 25.219999999999999 107.309 -173.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.36 -39.57 96.33 Favored Glycine 0 C--N 1.336 0.536 0 O-C-N 123.842 0.713 . . . . 27.43 113.247 178.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -62.68 -39.9 95.4 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 114.885 -0.657 . . . . 44.299999999999997 111.53 178.298 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.8 -40.78 72.3 Favored 'General case' 0 C--O 1.203 -1.379 0 C-N-CA 122.788 0.435 . . . . 30.670000000000002 111.637 -174.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -108.82 11.5 26.16 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 123.254 0.622 . . . . 50.189999999999998 112.372 -170.255 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.1 m120 56.54 45.23 22.74 Favored 'General case' 0 C--O 1.203 -1.382 0 C-N-CA 123.515 0.726 . . . . 47.670000000000002 111.827 178.757 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 92.4 mt -117.0 133.02 65.04 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 104.569 -2.382 . . . . 34.789999999999999 104.569 177.049 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -53.23 124.15 37.71 Favored Pre-proline 0 CA--C 1.545 0.774 0 N-CA-C 107.581 -1.266 . . . . 48.390000000000001 107.581 174.006 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -57.32 -30.17 86.72 Favored 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 118.148 -0.768 . . . . 34.310000000000002 113.826 -178.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.7 tp -62.83 -30.11 71.24 Favored 'General case' 0 C--O 1.254 1.314 0 C-N-CA 123.158 0.583 . . . . 48.130000000000003 112.162 177.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.9 mm -65.07 -47.79 86.44 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.287 0 O-C-N 123.64 0.588 . . . . 37.43 109.437 176.926 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 67.8 mt -61.85 -40.59 95.86 Favored 'General case' 0 C--O 1.269 2.114 0 CA-C-O 121.678 0.751 . . . . 27.59 112.999 177.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -66.51 -43.9 84.01 Favored 'General case' 0 N--CA 1.425 -1.724 0 CA-C-N 114.889 -1.051 . . . . 42.770000000000003 108.771 176.072 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.77 -32.71 74.3 Favored 'General case' 0 C--O 1.255 1.356 0 C-N-CA 118.724 -1.19 . . . . 27.59 110.847 -179.036 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 71.2 mt -66.26 -47.33 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.182 0 O-C-N 122.087 -0.383 . . . . 27.390000000000001 110.953 175.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.37 -42.11 86.24 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 124.032 0.832 . . . . 25.91 111.589 177.957 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 74.9 t-105 -64.99 -44.43 89.31 Favored 'General case' 0 N--CA 1.434 -1.235 0 CA-C-N 115.676 -0.693 . . . . 35.969999999999999 112.463 177.777 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -65.25 -38.83 91.56 Favored 'General case' 0 C--O 1.212 -0.905 0 N-CA-C 113.487 0.921 . . . . 49.340000000000003 113.487 -179.618 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -86.59 -41.43 14.29 Favored 'General case' 0 C--O 1.197 -1.66 0 CA-C-N 115.172 -0.922 . . . . 58.5 113.032 -168.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 93.8 p -133.0 1.51 3.56 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.743 1.016 . . . . 34.920000000000002 113.743 -173.659 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm 49.51 44.57 24.17 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 111.814 0.302 . . . . 57.170000000000002 111.814 -165.008 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 55.57 45.3 25.16 Favored 'General case' 0 CA--C 1.494 -1.197 0 C-N-CA 124.637 1.175 . . . . 50.789999999999999 110.5 175.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -118.79 119.7 35.16 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 106.64 -1.615 . . . . 58.969999999999999 106.64 -177.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASN . . . . . 0.473 ' OD1' ' O ' ' A' ' 213' ' ' HOH . 37.0 t-20 -86.22 165.35 16.58 Favored 'General case' 0 CA--C 1.553 1.085 0 CA-C-N 114.448 -1.251 . . . . 62.140000000000001 110.335 174.126 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.07 5.42 85.9 Favored Glycine 0 C--O 1.219 -0.832 0 N-CA-C 116.913 1.525 . . . . 57.590000000000003 116.913 172.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 14.5 mt -118.07 139.05 46.73 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 CA-C-N 118.969 1.385 . . . . 65.680000000000007 113.213 -174.183 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -102.51 138.94 38.76 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 107.939 -1.134 . . . . 74.980000000000004 107.939 168.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 54.3 p -69.2 169.16 12.6 Favored 'General case' 0 C--O 1.211 -0.947 0 N-CA-C 107.832 -1.173 . . . . 43.380000000000003 107.832 178.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.3 pttt -66.51 164.92 15.49 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 106.17 -1.789 . . . . 78.140000000000001 106.17 164.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ILE . . . . . 0.442 HD12 ' HB3' ' A' ' 59' ' ' TYR . 5.9 mm -79.38 131.65 33.81 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 N-CA-C 106.902 -1.518 . . . . 45.490000000000002 106.902 -168.765 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -56.37 159.51 3.58 Favored 'General case' 0 C--O 1.254 1.335 0 N-CA-C 114.607 1.336 . . . . 42.140000000000001 114.607 172.828 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -56.83 -35.2 68.53 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.238 -0.892 . . . . 69.930000000000007 112.544 178.79 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 42.1 p-10 -78.91 -0.04 29.28 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 113.665 0.987 . . . . 43.369999999999997 113.665 177.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.37 -4.1 76.55 Favored Glycine 0 C--N 1.347 1.177 0 C-N-CA 123.324 0.488 . . . . 38.979999999999997 113.052 173.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 34.2 p -81.88 176.78 9.29 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 107.966 -1.124 . . . . 35.439999999999998 107.966 173.274 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' TYR . . . . . 0.442 ' HB3' HD12 ' A' ' 53' ' ' ILE . 52.5 p90 -150.16 156.03 40.88 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.434 -0.803 . . . . 35.549999999999997 110.652 -178.416 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -107.41 138.09 44.26 Favored 'General case' 0 CA--C 1.505 -0.781 0 C-N-CA 123.883 0.873 . . . . 42.759999999999998 111.255 -172.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.7 mt -124.11 122.26 63.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 O-C-N 124.42 1.075 . . . . 31.600000000000001 112.637 -162.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 76.72 -162.29 51.87 Favored Glycine 0 N--CA 1.467 0.755 0 N-CA-C 116.514 1.365 . . . . 28.739999999999998 116.514 168.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . 0.29 6.2 tt -61.98 -40.94 89.05 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.007 0 N-CA-C 112.51 0.559 . . . . 28.199999999999999 112.51 -166.722 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' MSE . . . . . . . . . . . . . 81.8 mmm -95.7 1.34 53.41 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.66 -0.65 . . . . 31.59 111.916 179.11 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 55.44 59.96 3.62 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-O 122.572 1.177 . . . . 37.369999999999997 111.452 175.4 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 54.7 mt -74.74 133.12 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.057 0 CA-C-N 114.146 -1.388 . . . . 33.729999999999997 108.653 175.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -70.43 142.37 52.01 Favored 'General case' 0 C--O 1.254 1.303 0 CA-C-N 115.458 -0.792 . . . . 31.890000000000001 109.69 -176.703 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 59.4 p -59.12 -20.79 56.72 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 115.869 1.803 . . . . 30.780000000000001 115.869 176.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 87.9 p -59.15 -22.2 60.55 Favored 'General case' 0 C--O 1.246 0.915 0 N-CA-C 114.938 1.458 . . . . 38.299999999999997 114.938 175.348 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -84.38 -10.8 57.25 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 116.6 2.074 . . . . 37.950000000000003 116.6 177.728 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.0 mt -56.4 -38.26 71.27 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.218 1.192 . . . . 45.170000000000002 114.218 -178.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -59.24 -57.42 13.1 Favored 'General case' 0 C--O 1.245 0.82 0 CA-C-O 120.819 0.342 . . . . 60.299999999999997 111.56 178.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.5 tt -48.17 -48.13 34.71 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.421 -0.354 . . . . 72.879999999999995 110.488 174.156 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 47.6 mt -66.47 -31.82 72.8 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 115.182 1.549 . . . . 48.310000000000002 115.182 -171.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 84.0 p -58.47 -36.75 74.2 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.704 1.002 . . . . 59.240000000000002 113.704 177.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -50.84 -35.94 35.04 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 112.388 0.514 . . . . 89.909999999999997 112.388 170.759 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -96.39 15.2 21.95 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 114.338 1.236 . . . . 79.969999999999999 114.338 178.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 66.22 33.5 7.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 118.485 0.584 . . . . 82.890000000000001 112.129 174.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.1 mt -113.3 117.77 56.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 108.961 -0.755 . . . . 48.789999999999999 108.961 172.482 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 94.0 p -95.81 175.14 6.62 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-O 121.78 0.8 . . . . 48.880000000000003 111.048 -176.007 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -65.26 -41.37 94.34 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.464 -0.789 . . . . 54.0 110.974 174.457 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -57.79 -45.62 85.78 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 120.515 -0.474 . . . . 67.760000000000005 112.094 179.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -52.32 -54.59 29.64 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 124.181 0.926 . . . . 61.450000000000003 112.735 174.351 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.7 mt -58.22 -34.92 70.94 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.214 1.19 . . . . 38.340000000000003 114.214 177.472 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 47.5 tp -79.74 -43.01 23.39 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 120.841 0.353 . . . . 40.880000000000003 110.48 -173.162 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -112.39 -4.58 14.24 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 114.599 1.333 . . . . 49.280000000000001 114.599 -169.078 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -117.5 102.25 9.04 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 122.462 1.125 . . . . 44.289999999999999 111.402 176.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.44 -40.83 97.85 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 114.061 -1.427 . . . . 41.0 110.885 -167.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 91.5 m -68.46 -35.52 77.67 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.66 0.615 . . . . 57.590000000000003 112.66 -178.087 -68.379 -105.144 78.299 105.377 2.037 107.869 168.955 -60.522 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 69.1 mt -66.38 -47.93 82.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 108.851 -0.796 . . . . 43.609999999999999 108.851 174.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -53.28 -52.3 59.52 Favored 'General case' 0 C--O 1.249 1.031 0 C-N-CA 119.484 -0.887 . . . . 28.77 111.355 179.354 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 55.5 mt -58.52 -45.51 90.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 CA-C-N 114.626 -1.17 . . . . 29.940000000000001 111.208 -178.301 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 65.7 p -67.61 -34.98 78.08 Favored 'General case' 0 C--O 1.246 0.879 0 N-CA-C 113.491 0.923 . . . . 44.789999999999999 113.491 -179.361 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 70.8 t -66.35 -41.1 88.31 Favored 'Isoleucine or valine' 0 C--O 1.248 0.985 0 C-N-CA 120.373 -0.531 . . . . 30.739999999999998 111.554 175.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.28 95.7 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 120.957 0.408 . . . . 30.800000000000001 110.594 178.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -57.09 -48.18 81.69 Favored Glycine 0 CA--C 1.498 -0.97 0 CA-C-N 115.722 -0.672 . . . . 30.120000000000001 111.766 177.049 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -60.62 -41.57 95.09 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.313 0.578 . . . . 59.289999999999999 112.146 178.68 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 78.5 mt -68.99 -48.37 70.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.402 -0.519 . . . . 36.659999999999997 110.384 -177.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 18.6 mt -60.69 -39.57 88.97 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 112.652 0.612 . . . . 37.359999999999999 112.652 178.312 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.66 -16.09 62.78 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 115.631 1.715 . . . . 44.640000000000001 115.631 174.753 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.9 p -99.17 178.42 4.92 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.675 -1.266 . . . . 47.649999999999999 110.816 179.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -99.26 35.13 1.99 Allowed 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.452 -1.405 . . . . 76.409999999999997 113.224 170.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 48.4 mt -78.74 139.57 18.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 105.702 -1.962 . . . . 64.480000000000004 105.702 163.658 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -69.2 128.02 35.15 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 108.715 -0.846 . . . . 76.780000000000001 108.715 173.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 68.6 t80 . . . . . 0 N--CA 1.471 0.587 0 N-CA-C 112.531 0.567 . . . . 60.539999999999999 112.531 -170.709 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . 0.473 ' O ' ' OD1' ' A' ' 47' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' MSE . . . . . . . . . . . . . 6.9 mtp . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 110.126 -0.324 . . . . 71.09 110.126 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -76.04 166.78 22.99 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 122.194 0.997 . . . . 48.02 110.356 176.103 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 79.5 m -66.06 -27.13 67.85 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 113.798 -1.546 . . . . 54.16 112.69 -175.217 -60.522 168.955 78.299 107.869 2.037 105.377 -105.144 -68.379 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -68.38 -42.75 78.67 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 121.333 0.587 . . . . 30.79 110.985 174.041 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -64.92 -43.22 93.51 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 112.457 0.539 . . . . 67.5 112.457 177.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 86.6 mt -63.32 -43.43 98.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-O 121.541 0.686 . . . . 40.79 109.254 -179.675 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 95.3 m -72.48 -43.44 63.67 Favored 'General case' 0 N--CA 1.442 -0.828 0 N-CA-C 107.309 -1.367 . . . . 25.22 107.309 -173.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.36 -39.57 96.33 Favored Glycine 0 C--N 1.336 0.536 0 O-C-N 123.842 0.713 . . . . 27.43 113.247 178.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -62.68 -39.9 95.4 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 114.885 -0.657 . . . . 44.3 111.53 178.298 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.8 -40.78 72.3 Favored 'General case' 0 C--O 1.203 -1.379 0 C-N-CA 122.788 0.435 . . . . 30.67 111.637 -174.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -108.82 11.5 26.16 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 123.254 0.622 . . . . 50.19 112.372 -170.255 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.1 m120 56.54 45.23 22.74 Favored 'General case' 0 C--O 1.203 -1.382 0 C-N-CA 123.515 0.726 . . . . 47.67 111.827 178.757 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 92.4 mt -117.0 133.02 65.04 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 104.569 -2.382 . . . . 34.79 104.569 177.049 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -53.23 124.15 37.71 Favored Pre-proline 0 CA--C 1.545 0.774 0 N-CA-C 107.581 -1.266 . . . . 48.39 107.581 174.006 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -57.32 -30.17 86.72 Favored 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 118.148 -0.768 . . . . 34.31 113.826 -178.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.7 tp -62.83 -30.11 71.24 Favored 'General case' 0 C--O 1.254 1.314 0 C-N-CA 123.158 0.583 . . . . 48.13 112.162 177.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.9 mm -65.07 -47.79 86.44 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.287 0 O-C-N 123.64 0.588 . . . . 37.43 109.437 176.926 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 67.8 mt -61.85 -40.59 95.86 Favored 'General case' 0 C--O 1.269 2.114 0 CA-C-O 121.678 0.751 . . . . 27.59 112.999 177.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -66.51 -43.9 84.01 Favored 'General case' 0 N--CA 1.425 -1.724 0 CA-C-N 114.889 -1.051 . . . . 42.77 108.771 176.072 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.77 -32.71 74.3 Favored 'General case' 0 C--O 1.255 1.356 0 C-N-CA 118.724 -1.19 . . . . 27.59 110.847 -179.036 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 71.2 mt -66.26 -47.33 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.182 0 O-C-N 122.087 -0.383 . . . . 27.39 110.953 175.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.37 -42.11 86.24 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 124.032 0.832 . . . . 25.91 111.589 177.957 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 74.9 t-105 -64.99 -44.43 89.31 Favored 'General case' 0 N--CA 1.434 -1.235 0 CA-C-N 115.676 -0.693 . . . . 35.97 112.463 177.777 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -65.25 -38.83 91.56 Favored 'General case' 0 C--O 1.212 -0.905 0 N-CA-C 113.487 0.921 . . . . 49.34 113.487 -179.618 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -86.59 -41.43 14.29 Favored 'General case' 0 C--O 1.197 -1.66 0 CA-C-N 115.172 -0.922 . . . . 58.5 113.032 -168.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 93.8 p -133.0 1.51 3.56 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.743 1.016 . . . . 34.92 113.743 -173.659 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm 49.51 44.57 24.17 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 111.814 0.302 . . . . 57.17 111.814 -165.008 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 55.57 45.3 25.16 Favored 'General case' 0 CA--C 1.494 -1.197 0 C-N-CA 124.637 1.175 . . . . 50.79 110.5 175.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -118.79 119.7 35.16 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 106.64 -1.615 . . . . 58.97 106.64 -177.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.473 ' OD1' ' O ' ' A' ' 213' ' ' HOH . 37.0 t-20 -86.22 165.35 16.58 Favored 'General case' 0 CA--C 1.553 1.085 0 CA-C-N 114.448 -1.251 . . . . 62.14 110.335 174.126 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.07 5.42 85.9 Favored Glycine 0 C--O 1.219 -0.832 0 N-CA-C 116.913 1.525 . . . . 57.59 116.913 172.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 14.5 mt -118.07 139.05 46.73 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 CA-C-N 118.969 1.385 . . . . 65.68 113.213 -174.183 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -102.51 138.94 38.76 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 107.939 -1.134 . . . . 74.98 107.939 168.575 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 54.3 p -69.2 169.16 12.6 Favored 'General case' 0 C--O 1.211 -0.947 0 N-CA-C 107.832 -1.173 . . . . 43.38 107.832 178.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.3 pttt -66.51 164.92 15.49 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 106.17 -1.789 . . . . 78.14 106.17 164.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.442 HD12 ' HB3' ' A' ' 59' ' ' TYR . 5.9 mm -79.38 131.65 33.81 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 N-CA-C 106.902 -1.518 . . . . 45.49 106.902 -168.765 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -56.37 159.51 3.58 Favored 'General case' 0 C--O 1.254 1.335 0 N-CA-C 114.607 1.336 . . . . 42.14 114.607 172.828 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -56.83 -35.2 68.53 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.238 -0.892 . . . . 69.93 112.544 178.79 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 42.1 p-10 -78.91 -0.04 29.28 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 113.665 0.987 . . . . 43.37 113.665 177.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.37 -4.1 76.55 Favored Glycine 0 C--N 1.347 1.177 0 C-N-CA 123.324 0.488 . . . . 38.98 113.052 173.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 34.2 p -81.88 176.78 9.29 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 107.966 -1.124 . . . . 35.44 107.966 173.274 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.442 ' HB3' HD12 ' A' ' 53' ' ' ILE . 52.5 p90 -150.16 156.03 40.88 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.434 -0.803 . . . . 35.55 110.652 -178.416 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -107.41 138.09 44.26 Favored 'General case' 0 CA--C 1.505 -0.781 0 C-N-CA 123.883 0.873 . . . . 42.76 111.255 -172.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.7 mt -124.11 122.26 63.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 O-C-N 124.42 1.075 . . . . 31.6 112.637 -162.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 76.72 -162.29 51.87 Favored Glycine 0 N--CA 1.467 0.755 0 N-CA-C 116.514 1.365 . . . . 28.74 116.514 168.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . 0.29 6.2 tt -61.98 -40.94 89.05 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.007 0 N-CA-C 112.51 0.559 . . . . 28.2 112.51 -166.722 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' MSE . . . . . . . . . . . . . 81.8 mmm -95.7 1.34 53.41 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.66 -0.65 . . . . 31.59 111.916 179.11 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 55.44 59.96 3.62 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-O 122.572 1.177 . . . . 37.37 111.452 175.4 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 54.7 mt -74.74 133.12 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.057 0 CA-C-N 114.146 -1.388 . . . . 33.73 108.653 175.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -70.43 142.37 52.01 Favored 'General case' 0 C--O 1.254 1.303 0 CA-C-N 115.458 -0.792 . . . . 31.89 109.69 -176.703 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 59.4 p -59.12 -20.79 56.72 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 115.869 1.803 . . . . 30.78 115.869 176.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 87.9 p -59.15 -22.2 60.55 Favored 'General case' 0 C--O 1.246 0.915 0 N-CA-C 114.938 1.458 . . . . 38.3 114.938 175.348 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -84.38 -10.8 57.25 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 116.6 2.074 . . . . 37.95 116.6 177.728 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.0 mt -56.4 -38.26 71.27 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.218 1.192 . . . . 45.17 114.218 -178.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -59.24 -57.42 13.1 Favored 'General case' 0 C--O 1.245 0.82 0 CA-C-O 120.819 0.342 . . . . 60.3 111.56 178.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.5 tt -48.17 -48.13 34.71 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.421 -0.354 . . . . 72.88 110.488 174.156 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 47.6 mt -66.47 -31.82 72.8 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 115.182 1.549 . . . . 48.31 115.182 -171.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 84.0 p -58.47 -36.75 74.2 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.704 1.002 . . . . 59.24 113.704 177.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -50.84 -35.94 35.04 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 112.388 0.514 . . . . 89.91 112.388 170.759 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -96.39 15.2 21.95 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 114.338 1.236 . . . . 79.97 114.338 178.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 66.22 33.5 7.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 118.485 0.584 . . . . 82.89 112.129 174.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.1 mt -113.3 117.77 56.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 108.961 -0.755 . . . . 48.79 108.961 172.482 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 94.0 p -95.81 175.14 6.62 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-O 121.78 0.8 . . . . 48.88 111.048 -176.007 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -65.26 -41.37 94.34 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.464 -0.789 . . . . 54.0 110.974 174.457 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -57.79 -45.62 85.78 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 120.515 -0.474 . . . . 67.76 112.094 179.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -52.32 -54.59 29.64 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 124.181 0.926 . . . . 61.45 112.735 174.351 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.7 mt -58.22 -34.92 70.94 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.214 1.19 . . . . 38.34 114.214 177.472 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 47.5 tp -79.74 -43.01 23.39 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 120.841 0.353 . . . . 40.88 110.48 -173.162 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -112.39 -4.58 14.24 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 114.599 1.333 . . . . 49.28 114.599 -169.078 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -117.5 102.25 9.04 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 122.462 1.125 . . . . 44.29 111.402 176.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.44 -40.83 97.85 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 114.061 -1.427 . . . . 41.0 110.885 -167.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 91.5 m -68.46 -35.52 77.67 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.66 0.615 . . . . 57.59 112.66 -178.087 -68.379 -105.144 78.299 105.377 2.037 107.869 168.955 -60.522 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 69.1 mt -66.38 -47.93 82.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 108.851 -0.796 . . . . 43.61 108.851 174.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -53.28 -52.3 59.52 Favored 'General case' 0 C--O 1.249 1.031 0 C-N-CA 119.484 -0.887 . . . . 28.77 111.355 179.354 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 55.5 mt -58.52 -45.51 90.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 CA-C-N 114.626 -1.17 . . . . 29.94 111.208 -178.301 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 65.7 p -67.61 -34.98 78.08 Favored 'General case' 0 C--O 1.246 0.879 0 N-CA-C 113.491 0.923 . . . . 44.79 113.491 -179.361 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 70.8 t -66.35 -41.1 88.31 Favored 'Isoleucine or valine' 0 C--O 1.248 0.985 0 C-N-CA 120.373 -0.531 . . . . 30.74 111.554 175.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.28 95.7 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 120.957 0.408 . . . . 30.8 110.594 178.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -57.09 -48.18 81.69 Favored Glycine 0 CA--C 1.498 -0.97 0 CA-C-N 115.722 -0.672 . . . . 30.12 111.766 177.049 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -60.62 -41.57 95.09 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.313 0.578 . . . . 59.29 112.146 178.68 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 78.5 mt -68.99 -48.37 70.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.402 -0.519 . . . . 36.66 110.384 -177.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 18.6 mt -60.69 -39.57 88.97 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 112.652 0.612 . . . . 37.36 112.652 178.312 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.66 -16.09 62.78 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 115.631 1.715 . . . . 44.64 115.631 174.753 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.9 p -99.17 178.42 4.92 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.675 -1.266 . . . . 47.65 110.816 179.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -99.26 35.13 1.99 Allowed 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.452 -1.405 . . . . 76.41 113.224 170.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 48.4 mt -78.74 139.57 18.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 105.702 -1.962 . . . . 64.48 105.702 163.658 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -69.2 128.02 35.15 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 108.715 -0.846 . . . . 76.78 108.715 173.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 68.6 t80 . . . . . 0 N--CA 1.471 0.587 0 N-CA-C 112.531 0.567 . . . . 60.54 112.531 -170.709 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . 0.473 ' O ' ' OD1' ' A' ' 47' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_