data_2i08_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 2i08 _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 ' 3' ' ' GLN . . . . . 0.438 ' O ' ' CG ' ' A' ' 3' ' ' GLN . 10.2 pm0 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 111.926 0.343 . . . . 68.08 111.926 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.1 tp -96.28 115.73 27.9 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 115.918 1.821 . . . . 46.79 115.918 -177.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.9 p -99.07 168.29 10.17 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 115.52 1.674 . . . . 36.29 115.52 -175.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -73.87 -28.79 61.75 Favored 'General case' 0 C--O 1.244 0.811 0 C-N-CA 119.655 -0.818 . . . . 31.45 110.906 177.815 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLU . . . . . 0.524 ' OE2' ' O2 ' ' A' ' 100' ' ' GOL . 30.2 tt0 -63.19 -43.83 97.08 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 112.524 0.564 . . . . 49.81 112.524 174.355 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -56.71 -52.06 66.4 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.811 0.844 . . . . 49.97 109.876 175.953 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 85.2 mt -57.82 -39.64 72.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 115.951 -0.568 . . . . 29.64 110.936 178.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.44 -40.13 89.3 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 113.14 0.792 . . . . 29.63 113.14 -178.24 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.79 -34.37 75.42 Favored 'General case' 0 CA--C 1.511 -0.549 0 C-N-CA 120.775 -0.37 . . . . 49.35 111.489 177.913 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -67.93 -43.14 79.84 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 118.685 -1.206 . . . . 41.67 108.0 178.753 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -56.99 -40.24 76.19 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 112.799 0.666 . . . . 39.95 112.799 175.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -63.32 -46.63 85.75 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 109.213 -0.662 . . . . 54.72 109.213 -179.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.95 -48.07 77.96 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.865 -0.607 . . . . 28.96 112.598 179.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -51.27 -40.86 59.82 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-O 121.518 0.675 . . . . 27.33 109.687 174.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.5 m -69.76 -27.38 64.89 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 114.864 1.431 . . . . 31.96 114.864 -172.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.8 tt -65.74 -31.7 72.84 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.922 -1.036 . . . . 46.89 111.017 176.092 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -85.24 -45.88 11.57 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 109.499 -0.556 . . . . 28.87 109.499 174.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -88.55 81.9 7.03 Favored 'General case' 0 C--O 1.254 1.303 0 CA-C-O 122.047 0.927 . . . . 31.58 110.241 -178.16 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . 0.552 ' CB ' ' O ' ' A' ' 215' ' ' HOH . 16.1 mmtm -69.68 -33.57 72.73 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.483 1.513 . . . . 43.4 114.401 -174.701 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -92.13 0.02 57.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.615 0.721 . . . . 38.08 110.631 -176.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.29 16.38 66.93 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 120.375 2.91 . . . . 37.93 120.375 174.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -87.21 12.71 11.07 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 116.262 1.949 . . . . 38.02 116.262 178.891 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.53 -4.78 62.83 Favored Glycine 0 CA--C 1.528 0.88 0 N-CA-C 120.226 2.85 . . . . 32.33 120.226 175.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 t -124.59 148.51 47.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 119.01 1.405 . . . . 40.84 109.49 171.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 94.6 mt -100.34 122.96 52.91 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 O-C-N 122.977 0.173 . . . . 26.16 110.655 176.453 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 57.2 p -97.38 170.94 8.72 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.03 0.932 . . . . 30.2 111.661 -176.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 57.2 p -62.75 -32.65 73.83 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 119.264 -0.974 . . . . 26.95 111.608 174.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LYS . . . . . 0.486 ' NZ ' ' O ' ' A' ' 245' ' ' HOH . 0.0 OUTLIER -61.7 -45.79 92.48 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.567 -0.708 . . . . 46.02 112.02 178.675 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -68.96 -39.07 79.71 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 114.775 -1.102 . . . . 32.01 111.89 -178.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.8 tp -64.96 -45.04 87.37 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 108.895 -0.78 . . . . 32.38 108.895 178.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.68 -39.29 86.02 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 114.806 0.682 . . . . 21.15 114.806 177.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.6 p -63.08 -40.04 96.49 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 118.11 0.955 . . . . 34.99 111.867 -179.753 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.2 t -69.48 -43.33 80.79 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-O 121.14 0.495 . . . . 26.28 111.972 177.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.4 mmm -66.34 -39.64 89.35 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 119.528 -0.869 . . . . 40.85 112.01 -178.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 87.7 mtm-85 -63.97 -33.79 76.51 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 119.984 -0.686 . . . . 37.7 111.902 176.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.3 m -65.76 -27.23 68.14 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 113.578 0.955 . . . . 31.51 113.578 174.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.9 mt -75.35 -18.62 59.94 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.882 0.697 . . . . 38.18 112.882 174.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.8 5.53 22.02 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 120.012 -1.09 . . . . 29.12 114.822 -176.665 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 72.5 mt -99.45 170.48 8.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 117.441 0.621 . . . . 31.76 111.721 179.425 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -144.58 65.57 12.88 Favored Pre-proline 0 C--N 1.326 -0.453 0 C-N-CA 120.062 -0.655 . . . . 37.96 110.599 -178.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -74.77 152.37 41.93 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 N-CA-C 115.82 1.431 . . . . 28.01 115.82 -177.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 52.3 p -80.38 162.88 24.26 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 108.995 -0.743 . . . . 23.59 108.995 172.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.4 tp10 -51.29 -43.12 61.55 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.234 0.614 . . . . 32.41 112.504 176.472 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.74 -35.57 77.29 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 113.39 0.885 . . . . 22.92 113.39 -177.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -65.45 -40.18 92.93 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 115.011 -0.995 . . . . 29.0 110.002 176.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -38.59 91.08 Favored 'General case' 0 CA--C 1.556 1.181 0 CA-C-N 115.212 -0.903 . . . . 27.28 108.566 176.171 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.5 tp-100 -70.1 -37.83 75.5 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 120.466 -1.396 . . . . 25.29 113.481 177.028 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -58.29 -34.61 70.72 Favored 'General case' 0 CA--C 1.564 1.481 0 O-C-N 121.8 -0.563 . . . . 28.91 111.665 173.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 27.8 ttt -66.64 -44.5 81.79 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 121.67 -0.644 . . . . 32.29 111.098 176.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 7.4 mt -62.36 -44.91 99.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-O 121.2 0.524 . . . . 26.82 110.402 178.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -52.83 -39.33 62.38 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.251 1.02 . . . . 32.95 111.292 -177.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -54.74 -41.0 69.87 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 117.649 2.462 . . . . 54.12 117.649 175.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.7 m -111.68 4.93 8.44 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 N-CA-C 113.536 0.939 . . . . 27.3 113.536 179.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -73.32 75.57 1.35 Allowed 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.275 0.843 . . . . 27.69 113.275 -178.965 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.39 -23.88 66.39 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 115.23 1.567 . . . . 26.5 115.23 -171.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.6 p-10 -103.59 0.12 30.41 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 115.912 1.819 . . . . 28.08 115.912 179.312 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.0 8.22 87.99 Favored Glycine 0 C--O 1.238 0.353 0 N-CA-C 117.047 1.579 . . . . 23.53 117.047 172.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -87.34 0.76 54.95 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 117.33 2.344 . . . . 30.36 117.33 -174.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.85 -12.54 69.16 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 118.046 1.978 . . . . 23.47 118.046 172.739 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 45.0 p -133.12 168.15 19.03 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 117.357 0.579 . . . . 29.87 109.689 179.338 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 67.1 mt -98.93 125.45 52.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 N-CA-C 112.613 0.597 . . . . 27.14 112.613 -176.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 41.5 p30 -105.27 -175.97 2.95 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.652 0.263 . . . . 33.6 111.039 176.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -59.9 -51.47 80.47 Favored Pre-proline 0 CA--C 1.542 0.655 0 N-CA-C 115.512 1.671 . . . . 28.59 115.512 -173.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -62.81 -28.43 75.9 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 116.931 -1.58 . . . . 26.05 113.421 179.218 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -73.48 -33.85 65.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.404 0.621 . . . . 28.46 110.387 -177.249 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -68.53 -40.84 80.56 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 122.654 1.216 . . . . 26.89 108.937 179.072 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.54 -38.14 66.24 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-N 114.085 -1.416 . . . . 25.69 112.65 175.128 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.3 p -70.47 -33.96 71.86 Favored 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 119.342 -0.943 . . . . 34.22 112.192 176.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 70.2 mtp -59.86 -45.25 93.04 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 120.22 -0.592 . . . . 33.58 110.65 172.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 34.9 mmt -62.22 -40.89 97.62 Favored 'General case' 0 C--O 1.241 0.644 0 C-N-CA 120.621 -0.432 . . . . 30.39 111.056 -179.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.18 -30.32 70.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.598 -0.728 . . . . 30.17 112.017 179.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.7 mtt180 -79.92 -41.06 26.86 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 118.971 -0.538 . . . . 52.12 112.262 179.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.8 pt -69.01 -27.17 34.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 N-CA-C 115.288 1.588 . . . . 38.33 115.288 176.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.8 mmt . . . . . 0 N--CA 1.469 0.487 0 C-N-CA 119.433 -0.907 . . . . 62.39 111.16 -178.603 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 200' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' GOL . . . . . 0.524 ' O2 ' ' OE2' ' A' ' 7' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . 0.552 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 245' ' ' HOH . . . . . 0.486 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLN . . . . . 0.719 ' HG2' ' O ' ' A' ' 3' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 111.926 0.343 . . . . 68.08 111.926 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.1 tp -96.28 115.73 27.9 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 115.918 1.821 . . . . 46.79 115.918 -177.478 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.9 p -99.07 168.29 10.17 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 115.52 1.674 . . . . 36.29 115.52 -175.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -73.87 -28.79 61.75 Favored 'General case' 0 C--O 1.244 0.811 0 C-N-CA 119.655 -0.818 . . . . 31.45 110.906 177.815 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLU . . . . . 0.524 ' OE2' ' O2 ' ' A' ' 100' ' ' GOL . 30.2 tt0 -63.19 -43.83 97.08 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 112.524 0.564 . . . . 49.81 112.524 174.355 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -56.71 -52.06 66.4 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.811 0.844 . . . . 49.97 109.876 175.953 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 85.2 mt -57.82 -39.64 72.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 115.951 -0.568 . . . . 29.64 110.936 178.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.44 -40.13 89.3 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 113.14 0.792 . . . . 29.63 113.14 -178.24 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.79 -34.37 75.42 Favored 'General case' 0 CA--C 1.511 -0.549 0 C-N-CA 120.775 -0.37 . . . . 49.35 111.489 177.913 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -67.93 -43.14 79.84 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 118.685 -1.206 . . . . 41.67 108.0 178.753 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -56.99 -40.24 76.19 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 112.799 0.666 . . . . 39.95 112.799 175.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -63.32 -46.63 85.75 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 109.213 -0.662 . . . . 54.72 109.213 -179.178 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.95 -48.07 77.96 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.865 -0.607 . . . . 28.96 112.598 179.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -51.27 -40.86 59.82 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-O 121.518 0.675 . . . . 27.33 109.687 174.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.5 m -69.76 -27.38 64.89 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 114.864 1.431 . . . . 31.96 114.864 -172.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LEU . . . . . 0.605 ' O ' HD23 ' A' ' 18' ' ' LEU . 5.8 tt -65.74 -31.7 72.84 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.922 -1.036 . . . . 46.89 111.017 176.092 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -85.24 -45.88 11.57 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 109.499 -0.556 . . . . 28.87 109.499 174.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -88.55 81.9 7.03 Favored 'General case' 0 C--O 1.254 1.303 0 CA-C-O 122.047 0.927 . . . . 31.58 110.241 -178.16 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . 0.999 ' HB2' ' O ' ' A' ' 215' ' ' HOH . 16.1 mmtm -69.68 -33.57 72.73 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.483 1.513 . . . . 43.4 114.401 -174.701 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -92.13 0.02 57.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.615 0.721 . . . . 38.08 110.631 -176.14 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.29 16.38 66.93 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 120.375 2.91 . . . . 37.93 120.375 174.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -87.21 12.71 11.07 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 116.262 1.949 . . . . 38.02 116.262 178.891 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.53 -4.78 62.83 Favored Glycine 0 CA--C 1.528 0.88 0 N-CA-C 120.226 2.85 . . . . 32.33 120.226 175.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 t -124.59 148.51 47.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 119.01 1.405 . . . . 40.84 109.49 171.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ILE . . . . . 0.407 ' HB ' ' HB ' ' A' ' 63' ' ' ILE . 94.6 mt -100.34 122.96 52.91 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 O-C-N 122.977 0.173 . . . . 26.16 110.655 176.453 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 57.2 p -97.38 170.94 8.72 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.03 0.932 . . . . 30.2 111.661 -176.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 57.2 p -62.75 -32.65 73.83 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 119.264 -0.974 . . . . 26.95 111.608 174.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LYS . . . . . 0.812 ' HD2' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -61.7 -45.79 92.48 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.567 -0.708 . . . . 46.02 112.02 178.675 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -68.96 -39.07 79.71 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 114.775 -1.102 . . . . 32.01 111.89 -178.859 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.8 tp -64.96 -45.04 87.37 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 108.895 -0.78 . . . . 32.38 108.895 178.153 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.68 -39.29 86.02 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 114.806 0.682 . . . . 21.15 114.806 177.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.6 p -63.08 -40.04 96.49 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 118.11 0.955 . . . . 34.99 111.867 -179.753 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.2 t -69.48 -43.33 80.79 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-O 121.14 0.495 . . . . 26.28 111.972 177.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' MET . . . . . 0.647 ' HE3' HD12 ' A' ' 39' ' ' LEU . 6.4 mmm -66.34 -39.64 89.35 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 119.528 -0.869 . . . . 40.85 112.01 -178.887 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 87.7 mtm-85 -63.97 -33.79 76.51 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 119.984 -0.686 . . . . 37.7 111.902 176.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.3 m -65.76 -27.23 68.14 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 113.578 0.955 . . . . 31.51 113.578 174.113 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LEU . . . . . 0.647 HD12 ' HE3' ' A' ' 36' ' ' MET . 8.9 mt -75.35 -18.62 59.94 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.882 0.697 . . . . 38.18 112.882 174.632 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.8 5.53 22.02 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 120.012 -1.09 . . . . 29.12 114.822 -176.665 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LEU . . . . . 0.583 HD12 ' HE2' ' A' ' 36' ' ' MET . 72.5 mt -99.45 170.48 8.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 117.441 0.621 . . . . 31.76 111.721 179.425 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -144.58 65.57 12.88 Favored Pre-proline 0 C--N 1.326 -0.453 0 C-N-CA 120.062 -0.655 . . . . 37.96 110.599 -178.59 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -74.77 152.37 41.93 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 N-CA-C 115.82 1.431 . . . . 28.01 115.82 -177.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 52.3 p -80.38 162.88 24.26 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 108.995 -0.743 . . . . 23.59 108.995 172.272 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.4 tp10 -51.29 -43.12 61.55 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.234 0.614 . . . . 32.41 112.504 176.472 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.74 -35.57 77.29 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 113.39 0.885 . . . . 22.92 113.39 -177.186 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -65.45 -40.18 92.93 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 115.011 -0.995 . . . . 29.0 110.002 176.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -38.59 91.08 Favored 'General case' 0 CA--C 1.556 1.181 0 CA-C-N 115.212 -0.903 . . . . 27.28 108.566 176.171 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.5 tp-100 -70.1 -37.83 75.5 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 120.466 -1.396 . . . . 25.29 113.481 177.028 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -58.29 -34.61 70.72 Favored 'General case' 0 CA--C 1.564 1.481 0 O-C-N 121.8 -0.563 . . . . 28.91 111.665 173.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 27.8 ttt -66.64 -44.5 81.79 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 121.67 -0.644 . . . . 32.29 111.098 176.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 7.4 mt -62.36 -44.91 99.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-O 121.2 0.524 . . . . 26.82 110.402 178.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -52.83 -39.33 62.38 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.251 1.02 . . . . 32.95 111.292 -177.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -54.74 -41.0 69.87 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 117.649 2.462 . . . . 54.12 117.649 175.09 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.7 m -111.68 4.93 8.44 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 N-CA-C 113.536 0.939 . . . . 27.3 113.536 179.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -73.32 75.57 1.35 Allowed 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.275 0.843 . . . . 27.69 113.275 -178.965 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.39 -23.88 66.39 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 115.23 1.567 . . . . 26.5 115.23 -171.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.6 p-10 -103.59 0.12 30.41 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 115.912 1.819 . . . . 28.08 115.912 179.312 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.0 8.22 87.99 Favored Glycine 0 C--O 1.238 0.353 0 N-CA-C 117.047 1.579 . . . . 23.53 117.047 172.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -87.34 0.76 54.95 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 117.33 2.344 . . . . 30.36 117.33 -174.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.85 -12.54 69.16 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 118.046 1.978 . . . . 23.47 118.046 172.739 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 45.0 p -133.12 168.15 19.03 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 117.357 0.579 . . . . 29.87 109.689 179.338 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ILE . . . . . 0.407 ' HB ' ' HB ' ' A' ' 27' ' ' ILE . 67.1 mt -98.93 125.45 52.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 N-CA-C 112.613 0.597 . . . . 27.14 112.613 -176.584 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 41.5 p30 -105.27 -175.97 2.95 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.652 0.263 . . . . 33.6 111.039 176.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -59.9 -51.47 80.47 Favored Pre-proline 0 CA--C 1.542 0.655 0 N-CA-C 115.512 1.671 . . . . 28.59 115.512 -173.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -62.81 -28.43 75.9 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 116.931 -1.58 . . . . 26.05 113.421 179.218 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -73.48 -33.85 65.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.404 0.621 . . . . 28.46 110.387 -177.249 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -68.53 -40.84 80.56 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 122.654 1.216 . . . . 26.89 108.937 179.072 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.54 -38.14 66.24 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-N 114.085 -1.416 . . . . 25.69 112.65 175.128 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.3 p -70.47 -33.96 71.86 Favored 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 119.342 -0.943 . . . . 34.22 112.192 176.613 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 70.2 mtp -59.86 -45.25 93.04 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 120.22 -0.592 . . . . 33.58 110.65 172.694 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 34.9 mmt -62.22 -40.89 97.62 Favored 'General case' 0 C--O 1.241 0.644 0 C-N-CA 120.621 -0.432 . . . . 30.39 111.056 -179.694 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.18 -30.32 70.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.598 -0.728 . . . . 30.17 112.017 179.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.7 mtt180 -79.92 -41.06 26.86 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 118.971 -0.538 . . . . 52.12 112.262 179.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.8 pt -69.01 -27.17 34.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 N-CA-C 115.288 1.588 . . . . 38.33 115.288 176.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.8 mmt . . . . . 0 N--CA 1.469 0.487 0 C-N-CA 119.433 -0.907 . . . . 62.39 111.16 -178.603 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 200' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 100' ' ' GOL . . . . . 0.524 ' O2 ' ' OE2' ' A' ' 7' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . 0.999 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 236' ' ' HOH . . . . . 0.579 ' O ' ' HD3' ' A' ' 30' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 245' ' ' HOH . . . . . 0.486 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.719 ' HG2' ' O ' ' A' ' 3' ' ' GLN . 10.2 pm0 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 111.926 0.343 . . . . 68.079999999999998 111.926 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.1 tp -96.28 115.73 27.9 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 115.918 1.821 . . . . 46.789999999999999 115.918 -177.478 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.9 p -99.07 168.29 10.17 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 115.52 1.674 . . . . 36.289999999999999 115.52 -175.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -73.87 -28.79 61.75 Favored 'General case' 0 C--O 1.244 0.811 0 C-N-CA 119.655 -0.818 . . . . 31.449999999999999 110.906 177.815 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.524 ' OE2' ' O2 ' ' A' ' 100' ' ' GOL . 30.2 tt0 -63.19 -43.83 97.08 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 112.524 0.564 . . . . 49.810000000000002 112.524 174.355 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -56.71 -52.06 66.4 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.811 0.844 . . . . 49.969999999999999 109.876 175.953 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 85.2 mt -57.82 -39.64 72.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 115.951 -0.568 . . . . 29.640000000000001 110.936 178.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.44 -40.13 89.3 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 113.14 0.792 . . . . 29.629999999999999 113.14 -178.24 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.79 -34.37 75.42 Favored 'General case' 0 CA--C 1.511 -0.549 0 C-N-CA 120.775 -0.37 . . . . 49.350000000000001 111.489 177.913 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -67.93 -43.14 79.84 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 118.685 -1.206 . . . . 41.670000000000002 108.0 178.753 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -56.99 -40.24 76.19 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 112.799 0.666 . . . . 39.950000000000003 112.799 175.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -63.32 -46.63 85.75 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 109.213 -0.662 . . . . 54.719999999999999 109.213 -179.178 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.95 -48.07 77.96 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.865 -0.607 . . . . 28.960000000000001 112.598 179.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -51.27 -40.86 59.82 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-O 121.518 0.675 . . . . 27.329999999999998 109.687 174.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.5 m -69.76 -27.38 64.89 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 114.864 1.431 . . . . 31.960000000000001 114.864 -172.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.605 ' O ' HD23 ' A' ' 18' ' ' LEU . 5.8 tt -65.74 -31.7 72.84 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.922 -1.036 . . . . 46.890000000000001 111.017 176.092 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -85.24 -45.88 11.57 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 109.499 -0.556 . . . . 28.870000000000001 109.499 174.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -88.55 81.9 7.03 Favored 'General case' 0 C--O 1.254 1.303 0 CA-C-O 122.047 0.927 . . . . 31.579999999999998 110.241 -178.16 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.999 ' HB2' ' O ' ' A' ' 215' ' ' HOH . 16.1 mmtm -69.68 -33.57 72.73 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.483 1.513 . . . . 43.399999999999999 114.401 -174.701 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -92.13 0.02 57.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.615 0.721 . . . . 38.079999999999998 110.631 -176.14 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.29 16.38 66.93 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 120.375 2.91 . . . . 37.93 120.375 174.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -87.21 12.71 11.07 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 116.262 1.949 . . . . 38.020000000000003 116.262 178.891 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.53 -4.78 62.83 Favored Glycine 0 CA--C 1.528 0.88 0 N-CA-C 120.226 2.85 . . . . 32.329999999999998 120.226 175.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 t -124.59 148.51 47.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 119.01 1.405 . . . . 40.840000000000003 109.49 171.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.407 ' HB ' ' HB ' ' A' ' 63' ' ' ILE . 94.6 mt -100.34 122.96 52.91 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 O-C-N 122.977 0.173 . . . . 26.16 110.655 176.453 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 57.2 p -97.38 170.94 8.72 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.03 0.932 . . . . 30.199999999999999 111.661 -176.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 57.2 p -62.75 -32.65 73.83 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 119.264 -0.974 . . . . 26.949999999999999 111.608 174.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.812 ' HD2' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -61.7 -45.79 92.48 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.567 -0.708 . . . . 46.020000000000003 112.02 178.675 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -68.96 -39.07 79.71 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 114.775 -1.102 . . . . 32.009999999999998 111.89 -178.859 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.8 tp -64.96 -45.04 87.37 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 108.895 -0.78 . . . . 32.380000000000003 108.895 178.153 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.68 -39.29 86.02 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 114.806 0.682 . . . . 21.149999999999999 114.806 177.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.6 p -63.08 -40.04 96.49 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 118.11 0.955 . . . . 34.990000000000002 111.867 -179.753 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.2 t -69.48 -43.33 80.79 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-O 121.14 0.495 . . . . 26.280000000000001 111.972 177.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' MET . . . . . 0.647 ' HE3' HD12 ' A' ' 39' ' ' LEU . 6.4 mmm -66.34 -39.64 89.35 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 119.528 -0.869 . . . . 40.850000000000001 112.01 -178.887 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 87.7 mtm-85 -63.97 -33.79 76.51 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 119.984 -0.686 . . . . 37.700000000000003 111.902 176.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.3 m -65.76 -27.23 68.14 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 113.578 0.955 . . . . 31.510000000000002 113.578 174.113 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.647 HD12 ' HE3' ' A' ' 36' ' ' MET . 8.9 mt -75.35 -18.62 59.94 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.882 0.697 . . . . 38.18 112.882 174.632 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.8 5.53 22.02 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 120.012 -1.09 . . . . 29.120000000000001 114.822 -176.665 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.583 HD12 ' HE2' ' A' ' 36' ' ' MET . 72.5 mt -99.45 170.48 8.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 117.441 0.621 . . . . 31.760000000000002 111.721 179.425 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -144.58 65.57 12.88 Favored Pre-proline 0 C--N 1.326 -0.453 0 C-N-CA 120.062 -0.655 . . . . 37.960000000000001 110.599 -178.59 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -74.77 152.37 41.93 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 N-CA-C 115.82 1.431 . . . . 28.010000000000002 115.82 -177.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 52.3 p -80.38 162.88 24.26 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 108.995 -0.743 . . . . 23.59 108.995 172.272 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.4 tp10 -51.29 -43.12 61.55 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.234 0.614 . . . . 32.409999999999997 112.504 176.472 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.74 -35.57 77.29 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 113.39 0.885 . . . . 22.920000000000002 113.39 -177.186 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -65.45 -40.18 92.93 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 115.011 -0.995 . . . . 29.0 110.002 176.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -38.59 91.08 Favored 'General case' 0 CA--C 1.556 1.181 0 CA-C-N 115.212 -0.903 . . . . 27.280000000000001 108.566 176.171 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.5 tp-100 -70.1 -37.83 75.5 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 120.466 -1.396 . . . . 25.289999999999999 113.481 177.028 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -58.29 -34.61 70.72 Favored 'General case' 0 CA--C 1.564 1.481 0 O-C-N 121.8 -0.563 . . . . 28.91 111.665 173.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 27.8 ttt -66.64 -44.5 81.79 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 121.67 -0.644 . . . . 32.289999999999999 111.098 176.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 7.4 mt -62.36 -44.91 99.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-O 121.2 0.524 . . . . 26.82 110.402 178.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -52.83 -39.33 62.38 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.251 1.02 . . . . 32.950000000000003 111.292 -177.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -54.74 -41.0 69.87 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 117.649 2.462 . . . . 54.119999999999997 117.649 175.09 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.7 m -111.68 4.93 8.44 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 N-CA-C 113.536 0.939 . . . . 27.300000000000001 113.536 179.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -73.32 75.57 1.35 Allowed 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.275 0.843 . . . . 27.690000000000001 113.275 -178.965 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.39 -23.88 66.39 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 115.23 1.567 . . . . 26.5 115.23 -171.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.6 p-10 -103.59 0.12 30.41 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 115.912 1.819 . . . . 28.079999999999998 115.912 179.312 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.0 8.22 87.99 Favored Glycine 0 C--O 1.238 0.353 0 N-CA-C 117.047 1.579 . . . . 23.530000000000001 117.047 172.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -87.34 0.76 54.95 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 117.33 2.344 . . . . 30.359999999999999 117.33 -174.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.85 -12.54 69.16 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 118.046 1.978 . . . . 23.469999999999999 118.046 172.739 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 45.0 p -133.12 168.15 19.03 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 117.357 0.579 . . . . 29.870000000000001 109.689 179.338 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.407 ' HB ' ' HB ' ' A' ' 27' ' ' ILE . 67.1 mt -98.93 125.45 52.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 N-CA-C 112.613 0.597 . . . . 27.140000000000001 112.613 -176.584 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 41.5 p30 -105.27 -175.97 2.95 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.652 0.263 . . . . 33.600000000000001 111.039 176.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -59.9 -51.47 80.47 Favored Pre-proline 0 CA--C 1.542 0.655 0 N-CA-C 115.512 1.671 . . . . 28.59 115.512 -173.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -62.81 -28.43 75.9 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 116.931 -1.58 . . . . 26.050000000000001 113.421 179.218 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -73.48 -33.85 65.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.404 0.621 . . . . 28.460000000000001 110.387 -177.249 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -68.53 -40.84 80.56 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 122.654 1.216 . . . . 26.890000000000001 108.937 179.072 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.54 -38.14 66.24 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-N 114.085 -1.416 . . . . 25.690000000000001 112.65 175.128 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.3 p -70.47 -33.96 71.86 Favored 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 119.342 -0.943 . . . . 34.219999999999999 112.192 176.613 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 70.2 mtp -59.86 -45.25 93.04 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 120.22 -0.592 . . . . 33.579999999999998 110.65 172.694 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 34.9 mmt -62.22 -40.89 97.62 Favored 'General case' 0 C--O 1.241 0.644 0 C-N-CA 120.621 -0.432 . . . . 30.390000000000001 111.056 -179.694 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.18 -30.32 70.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.598 -0.728 . . . . 30.170000000000002 112.017 179.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.7 mtt180 -79.92 -41.06 26.86 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 118.971 -0.538 . . . . 52.119999999999997 112.262 179.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.8 pt -69.01 -27.17 34.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 N-CA-C 115.288 1.588 . . . . 38.329999999999998 115.288 176.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.8 mmt . . . . . 0 N--CA 1.469 0.487 0 C-N-CA 119.433 -0.907 . . . . 62.390000000000001 111.16 -178.603 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 200' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' GOL . . . . . 0.524 ' O2 ' ' OE2' ' A' ' 7' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . 0.999 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 236' ' ' HOH . . . . . 0.579 ' O ' ' HD3' ' A' ' 30' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 245' ' ' HOH . . . . . 0.486 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_