data_2zeq_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 2zeq _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 ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 121.69 0.757 . . . . 69.409999999999997 112.354 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 94.41 113.67 2.53 Favored Glycine 0 N--CA 1.441 -0.991 1 N-CA-C 97.999 -6.04 . . . . 57.07 97.999 -176.267 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 19.1 mtp -93.99 159.74 15.03 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 109.238 -0.653 . . . . 24.5 109.238 -178.724 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.9 mm -113.96 133.71 59.09 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 N-CA-C 105.688 -1.967 . . . . 21.100000000000001 105.688 176.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.0 m -126.83 137.91 56.41 Favored 'Isoleucine or valine' 0 C--O 1.246 0.876 0 N-CA-C 102.503 -3.147 . . . . 19.440000000000001 102.503 174.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -94.36 142.32 27.55 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 118.237 -1.385 . . . . 16.32 108.596 -178.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 87' ' ' HOH . 54.7 t -118.42 117.29 54.13 Favored 'Isoleucine or valine' 0 C--O 1.245 0.841 0 C-N-CA 120.055 -0.658 . . . . 15.98 112.364 -177.88 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.0 ttp85 -104.67 119.16 38.35 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.239 -0.891 . . . . 31.510000000000002 110.836 179.605 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -134.17 112.71 11.34 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 108.971 -0.751 . . . . 22.879999999999999 108.971 178.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 50.16 44.25 26.06 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.115 0.484 . . . . 48.219999999999999 110.64 179.641 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.5 t -151.17 166.16 31.71 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.717 -0.674 . . . . 29.68 110.357 179.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.7 p -86.7 -14.94 41.04 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 108.665 -0.865 . . . . 33.840000000000003 108.665 177.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -136.74 154.96 50.44 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.86 1.059 . . . . 30.710000000000001 113.86 178.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -101.3 140.09 14.71 Favored Glycine 0 C--O 1.251 1.192 0 N-CA-C 116.233 1.253 . . . . 15.48 116.233 -177.144 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -87.11 149.63 47.87 Favored Pre-proline 0 C--O 1.241 0.657 0 C-N-CA 120.131 -0.628 . . . . 16.850000000000001 109.49 178.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -79.74 131.73 9.37 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 122.908 2.405 . . . . 11.74 113.621 -178.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' VAL . . . . . 0.404 ' CG2' ' O ' ' A' ' 87' ' ' HOH . 66.1 t -125.13 125.55 69.54 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 CA-C-N 114.283 -1.326 . . . . 12.630000000000001 109.716 179.252 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.4 tp10 -80.3 124.09 28.55 Favored 'General case' 0 CA--C 1.508 -0.66 0 N-CA-C 106.163 -1.791 . . . . 38.82 106.163 178.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.6 m -138.67 175.82 7.54 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 N-CA-C 105.241 -2.133 . . . . 15.890000000000001 105.241 -179.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.0 p30 -142.74 -177.73 5.45 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 117.426 -1.709 . . . . 19.370000000000001 108.76 171.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.6 m -52.39 -28.0 17.95 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 115.795 1.776 . . . . 26.539999999999999 115.795 -178.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -90.47 0.37 57.34 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 116.835 2.161 . . . . 31.039999999999999 116.835 -178.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.5 m -79.03 133.53 36.8 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 106.909 -1.515 . . . . 13.42 106.909 -178.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 92.2 p -93.92 167.59 11.51 Favored 'General case' 0 C--O 1.246 0.912 0 CA-C-O 123.168 1.461 . . . . 17.120000000000001 112.773 177.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 26.8 mm -68.86 -38.98 79.4 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 N-CA-C 106.965 -1.495 . . . . 20.809999999999999 106.965 179.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.6 tp -57.22 -46.58 82.81 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 118.573 -1.251 . . . . 19.379999999999999 110.507 178.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.38 -40.22 90.07 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.689 0.996 . . . . 24.050000000000001 113.689 178.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.1 tp -63.92 -44.84 91.71 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 107.616 -1.253 . . . . 29.98 107.616 178.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -57.72 -35.64 70.94 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.635 -0.666 . . . . 29.949999999999999 110.278 177.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.22 -29.1 69.87 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 119.982 -0.687 . . . . 30.280000000000001 112.732 -177.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.0 t -63.0 -40.97 91.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 N-CA-C 107.878 -1.156 . . . . 20.899999999999999 107.878 176.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.3 t -76.08 -34.39 26.56 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 C-N-CA 119.919 -0.712 . . . . 19.73 111.996 177.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.79 -34.85 78.13 Favored 'General case' 0 C--O 1.26 1.614 0 C-N-CA 117.95 -1.5 . . . . 21.039999999999999 111.035 -178.913 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.29 -29.27 47.82 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 114.709 -1.132 . . . . 44.310000000000002 112.467 -179.239 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 74.5 ttt-85 -78.23 -36.26 47.33 Favored 'General case' 0 C--O 1.243 0.756 0 N-CA-C 109.374 -0.602 . . . . 29.780000000000001 109.374 178.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -103.46 -3.85 24.84 Favored 'General case' 0 CA--C 1.504 -0.819 0 N-CA-C 114.747 1.388 . . . . 32.93 114.747 -176.635 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.45 26.87 71.05 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.414 -0.898 . . . . 36.590000000000003 113.544 -179.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 41.0 t -113.78 141.52 26.25 Favored Pre-proline 0 N--CA 1.475 0.783 0 N-CA-C 108.688 -0.856 . . . . 37.32 108.688 179.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -62.06 140.2 82.92 Favored 'Trans proline' 0 C--N 1.349 0.562 0 N-CA-C 114.253 0.828 . . . . 26.75 114.253 -179.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.04 -27.19 66.72 Favored 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 119.638 -0.825 . . . . 20.190000000000001 112.927 179.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -72.32 -9.22 58.2 Favored 'General case' 0 CA--C 1.557 1.219 0 N-CA-C 113.379 0.881 . . . . 43.060000000000002 113.379 179.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -106.27 20.55 18.79 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 108.111 -1.07 . . . . 32.799999999999997 108.111 176.17 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 85.5 mt -124.0 150.7 44.55 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 119.075 -1.05 . . . . 17.850000000000001 110.672 177.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ARG . . . . . 0.451 ' NH2' ' O ' ' A' ' 100' ' ' HOH . 83.0 mmt-85 -136.05 149.8 48.91 Favored 'General case' 0 C--O 1.213 -0.839 0 N-CA-C 108.994 -0.743 . . . . 20.460000000000001 108.994 177.796 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.2 t -111.69 124.29 68.3 Favored 'Isoleucine or valine' 0 C--O 1.254 1.311 0 O-C-N 123.355 0.409 . . . . 17.649999999999999 110.212 178.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 70.2 mt -115.98 126.65 73.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 N-CA-C 108.11 -1.07 . . . . 21.899999999999999 108.11 -179.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' PHE . . . . . 0.666 ' O ' ' O ' ' A' ' 110' ' ' HOH . 21.0 t80 -139.9 123.59 17.35 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.902 -1.045 . . . . 26.5 113.641 -177.767 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ALA . . . . . 0.81 ' O ' ' O ' ' A' ' 110' ' ' HOH . . . 48.65 48.9 19.37 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 118.623 -1.231 . . . . 23.600000000000001 112.421 177.049 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.33 18.17 73.07 Favored Glycine 0 C--O 1.243 0.691 0 N-CA-C 118.277 2.071 . . . . 24.609999999999999 118.277 178.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LYS . . . . . 0.642 ' CE ' ' O ' ' A' ' 110' ' ' HOH . 38.9 mtmt -131.5 126.49 35.11 Favored 'General case' 0 C--O 1.257 1.455 0 C-N-CA 123.85 0.86 . . . . 40.390000000000001 110.489 -179.529 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -88.08 114.48 24.74 Favored 'General case' 0 C--O 1.253 1.27 0 N-CA-C 103.492 -2.781 . . . . 31.73 103.492 174.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 27.6 mt -86.3 124.31 70.21 Favored Pre-proline 0 CA--C 1.547 0.861 0 N-CA-C 117.317 2.339 . . . . 14.6 117.317 -176.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -68.79 146.63 66.82 Favored 'Trans proline' 0 CA--C 1.545 1.032 0 C-N-CA 121.997 1.798 . . . . 23.969999999999999 115.384 -179.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -36.39 -48.28 0.65 Allowed 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 116.519 2.044 . . . . 20.280000000000001 116.519 179.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 -76.26 -11.87 59.99 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 119.445 3.128 . . . . 48.340000000000003 119.445 -175.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.7 mt -72.17 145.49 48.04 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 118.242 -1.383 . . . . 25.850000000000001 109.891 179.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' THR . . . . . 0.445 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 68.2 p -109.56 170.0 8.34 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.345 -0.983 . . . . 23.329999999999998 108.345 176.68 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 90.7 t -57.62 -40.02 72.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 112.771 0.656 . . . . 24.530000000000001 112.771 179.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -78.71 -10.22 59.69 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 119.032 -1.067 . . . . 30.879999999999999 110.831 -176.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASN . . . . . 0.445 ' ND2' ' OG1' ' A' ' 57' ' ' THR . 60.2 m-80 -104.97 17.18 24.6 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 115.076 1.51 . . . . 35.450000000000003 115.076 -179.473 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 21.8 p -154.69 177.32 11.37 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 108.189 -1.041 . . . . 25.280000000000001 108.189 177.543 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -76.41 13.6 0.92 Allowed 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 119.606 3.187 . . . . 41.0 119.606 -178.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.0 mt -69.58 137.66 52.54 Favored 'General case' 0 C--O 1.206 -1.196 0 N-CA-C 106.156 -1.794 . . . . 20.690000000000001 106.156 178.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -140.65 -179.3 5.96 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 107.462 -1.31 . . . . 31.710000000000001 107.462 179.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLN . . . . . 0.65 ' NE2' ' NE2' ' A' ' 66' ' ' GLN . 29.1 tp60 -52.09 128.52 24.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.858 0.837 . . . . 33.780000000000001 109.72 -179.244 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLN . . . . . 0.65 ' NE2' ' NE2' ' A' ' 65' ' ' GLN . 61.9 mt-30 63.76 21.04 12.52 Favored 'General case' 0 N--CA 1.434 -1.26 0 N-CA-C 119.016 2.969 . . . . 33.0 119.016 179.483 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.3 m -63.42 154.31 32.51 Favored 'General case' 0 C--O 1.247 0.94 0 N-CA-C 106.846 -1.538 . . . . 12.56 106.846 173.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -116.33 129.72 72.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 N-CA-C 107.649 -1.241 . . . . 23.82 107.649 175.306 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.8 m -115.11 153.82 16.56 Favored 'Isoleucine or valine' 0 C--O 1.264 1.859 0 CA-C-O 122.081 0.944 . . . . 20.800000000000001 109.662 177.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -110.31 115.52 29.83 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 114.122 -1.399 . . . . 20.449999999999999 107.971 -179.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.9 mt -101.16 126.9 54.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 105.492 -2.04 . . . . 18.350000000000001 105.492 179.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.4 m -119.59 160.39 19.8 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.8 0 CA-C-N 114.879 -1.055 . . . . 17.210000000000001 112.333 179.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -104.1 140.79 37.29 Favored 'General case' 0 C--O 1.243 0.715 0 N-CA-C 109.344 -0.613 . . . . 29.489999999999998 109.344 -179.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ARG . . . . . 0.445 ' CB ' ' O ' ' A' ' 100' ' ' HOH . 76.7 mmt-85 -142.77 123.94 8.4 Favored Pre-proline 0 CA--C 1.546 0.824 0 N-CA-C 103.899 -2.63 . . . . 25.359999999999999 103.899 177.478 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -77.51 155.94 95.98 Favored 'Cis proline' 0 C--O 1.245 0.828 0 C-N-CA 128.256 0.523 . . . . 16.129999999999999 111.092 0.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 47.8 ttt85 -153.55 128.88 9.82 Favored 'General case' 0 CA--C 1.512 -0.51 0 N-CA-C 108.115 -1.068 . . . . 44.960000000000001 108.115 178.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -58.88 127.17 30.87 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 107.487 -1.301 . . . . 28.199999999999999 107.487 178.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ARG . . . . . 0.463 ' CB ' ' O ' ' A' ' 114' ' ' HOH . 12.7 tpt180 . . . . . 0 C--O 1.262 1.758 0 CA-C-O 118.881 -0.58 . . . . 57.770000000000003 110.771 -179.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' HOH . . . . . 0.462 ' O ' ' N ' ' A' ' 7' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' HOH . . . . . 0.451 ' O ' ' NH2' ' A' ' 44' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . 0.81 ' O ' ' O ' ' A' ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . 0.463 ' O ' ' CB ' ' A' ' 78' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . 0.485 ' HE2' ' HA ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 121.69 0.757 . . . . 69.41 112.354 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 94.41 113.67 2.53 Favored Glycine 0 N--CA 1.441 -0.991 1 N-CA-C 97.999 -6.04 . . . . 57.07 97.999 -176.267 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 19.1 mtp -93.99 159.74 15.03 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 109.238 -0.653 . . . . 24.5 109.238 -178.724 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.9 mm -113.96 133.71 59.09 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 N-CA-C 105.688 -1.967 . . . . 21.1 105.688 176.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.0 m -126.83 137.91 56.41 Favored 'Isoleucine or valine' 0 C--O 1.246 0.876 0 N-CA-C 102.503 -3.147 . . . . 19.44 102.503 174.125 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -94.36 142.32 27.55 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 118.237 -1.385 . . . . 16.32 108.596 -178.212 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 87' ' ' HOH . 54.7 t -118.42 117.29 54.13 Favored 'Isoleucine or valine' 0 C--O 1.245 0.841 0 C-N-CA 120.055 -0.658 . . . . 15.98 112.364 -177.88 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.0 ttp85 -104.67 119.16 38.35 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.239 -0.891 . . . . 31.51 110.836 179.605 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -134.17 112.71 11.34 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 108.971 -0.751 . . . . 22.88 108.971 178.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 50.16 44.25 26.06 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.115 0.484 . . . . 48.22 110.64 179.641 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.5 t -151.17 166.16 31.71 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.717 -0.674 . . . . 29.68 110.357 179.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.7 p -86.7 -14.94 41.04 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 108.665 -0.865 . . . . 33.84 108.665 177.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -136.74 154.96 50.44 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.86 1.059 . . . . 30.71 113.86 178.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -101.3 140.09 14.71 Favored Glycine 0 C--O 1.251 1.192 0 N-CA-C 116.233 1.253 . . . . 15.48 116.233 -177.144 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -87.11 149.63 47.87 Favored Pre-proline 0 C--O 1.241 0.657 0 C-N-CA 120.131 -0.628 . . . . 16.85 109.49 178.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -79.74 131.73 9.37 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 122.908 2.405 . . . . 11.74 113.621 -178.478 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 87' ' ' HOH . 66.1 t -125.13 125.55 69.54 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 CA-C-N 114.283 -1.326 . . . . 12.63 109.716 179.252 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.4 tp10 -80.3 124.09 28.55 Favored 'General case' 0 CA--C 1.508 -0.66 0 N-CA-C 106.163 -1.791 . . . . 38.82 106.163 178.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.6 m -138.67 175.82 7.54 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 N-CA-C 105.241 -2.133 . . . . 15.89 105.241 -179.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.0 p30 -142.74 -177.73 5.45 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 117.426 -1.709 . . . . 19.37 108.76 171.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' SER . . . . . 0.705 ' HB3' ' HB3' ' A' ' 59' ' ' GLN . 14.6 m -52.39 -28.0 17.95 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 115.795 1.776 . . . . 26.54 115.795 -178.392 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -90.47 0.37 57.34 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 116.835 2.161 . . . . 31.04 116.835 -178.378 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.5 m -79.03 133.53 36.8 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 106.909 -1.515 . . . . 13.42 106.909 -178.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 92.2 p -93.92 167.59 11.51 Favored 'General case' 0 C--O 1.246 0.912 0 CA-C-O 123.168 1.461 . . . . 17.12 112.773 177.784 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 26.8 mm -68.86 -38.98 79.4 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 N-CA-C 106.965 -1.495 . . . . 20.81 106.965 179.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.6 tp -57.22 -46.58 82.81 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 118.573 -1.251 . . . . 19.38 110.507 178.485 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.38 -40.22 90.07 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.689 0.996 . . . . 24.05 113.689 178.678 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.1 tp -63.92 -44.84 91.71 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 107.616 -1.253 . . . . 29.98 107.616 178.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LYS . . . . . 0.458 ' HE3' ' O ' ' A' ' 40' ' ' ALA . 25.6 mtpt -57.72 -35.64 70.94 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.635 -0.666 . . . . 29.95 110.278 177.567 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.22 -29.1 69.87 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 119.982 -0.687 . . . . 30.28 112.732 -177.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' VAL . . . . . 0.697 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 48.0 t -63.0 -40.97 91.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 N-CA-C 107.878 -1.156 . . . . 20.9 107.878 176.387 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' VAL . . . . . 0.429 HG21 HD12 ' A' ' 71' ' ' ILE . 55.3 t -76.08 -34.39 26.56 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 C-N-CA 119.919 -0.712 . . . . 19.73 111.996 177.337 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ALA . . . . . 0.475 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -62.79 -34.85 78.13 Favored 'General case' 0 C--O 1.26 1.614 0 C-N-CA 117.95 -1.5 . . . . 21.04 111.035 -178.913 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LYS . . . . . 0.697 ' HE3' ' O ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -78.29 -29.27 47.82 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 114.709 -1.132 . . . . 44.31 112.467 -179.239 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ARG . . . . . 0.524 ' N ' ' HD2' ' A' ' 34' ' ' LYS . 74.5 ttt-85 -78.23 -36.26 47.33 Favored 'General case' 0 C--O 1.243 0.756 0 N-CA-C 109.374 -0.602 . . . . 29.78 109.374 178.968 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLN . . . . . 0.444 HE21 HH21 ' A' ' 35' ' ' ARG . 67.9 mm-40 -103.46 -3.85 24.84 Favored 'General case' 0 CA--C 1.504 -0.819 0 N-CA-C 114.747 1.388 . . . . 32.93 114.747 -176.635 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.45 26.87 71.05 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.414 -0.898 . . . . 36.59 113.544 -179.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' VAL . . . . . 0.475 ' O ' ' HB1' ' A' ' 33' ' ' ALA . 41.0 t -113.78 141.52 26.25 Favored Pre-proline 0 N--CA 1.475 0.783 0 N-CA-C 108.688 -0.856 . . . . 37.32 108.688 179.701 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -62.06 140.2 82.92 Favored 'Trans proline' 0 C--N 1.349 0.562 0 N-CA-C 114.253 0.828 . . . . 26.75 114.253 -179.728 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ALA . . . . . 0.458 ' O ' ' HE3' ' A' ' 29' ' ' LYS . . . -60.04 -27.19 66.72 Favored 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 119.638 -0.825 . . . . 20.19 112.927 179.508 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -72.32 -9.22 58.2 Favored 'General case' 0 CA--C 1.557 1.219 0 N-CA-C 113.379 0.881 . . . . 43.06 113.379 179.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -106.27 20.55 18.79 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 108.111 -1.07 . . . . 32.8 108.111 176.17 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 85.5 mt -124.0 150.7 44.55 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 119.075 -1.05 . . . . 17.85 110.672 177.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ARG . . . . . 0.496 ' HB3' ' O ' ' A' ' 121' ' ' HOH . 83.0 mmt-85 -136.05 149.8 48.91 Favored 'General case' 0 C--O 1.213 -0.839 0 N-CA-C 108.994 -0.743 . . . . 20.46 108.994 177.796 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.2 t -111.69 124.29 68.3 Favored 'Isoleucine or valine' 0 C--O 1.254 1.311 0 O-C-N 123.355 0.409 . . . . 17.65 110.212 178.471 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 121' ' ' HOH . 70.2 mt -115.98 126.65 73.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 N-CA-C 108.11 -1.07 . . . . 21.9 108.11 -179.636 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' PHE . . . . . 0.666 ' O ' ' O ' ' A' ' 110' ' ' HOH . 21.0 t80 -139.9 123.59 17.35 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.902 -1.045 . . . . 26.5 113.641 -177.767 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ALA . . . . . 0.81 ' O ' ' O ' ' A' ' 110' ' ' HOH . . . 48.65 48.9 19.37 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 118.623 -1.231 . . . . 23.6 112.421 177.049 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.33 18.17 73.07 Favored Glycine 0 C--O 1.243 0.691 0 N-CA-C 118.277 2.071 . . . . 24.61 118.277 178.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LYS . . . . . 0.642 ' CE ' ' O ' ' A' ' 110' ' ' HOH . 38.9 mtmt -131.5 126.49 35.11 Favored 'General case' 0 C--O 1.257 1.455 0 C-N-CA 123.85 0.86 . . . . 40.39 110.489 -179.529 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLU . . . . . 0.623 ' HG3' ' O ' ' A' ' 121' ' ' HOH . 25.2 tt0 -88.08 114.48 24.74 Favored 'General case' 0 C--O 1.253 1.27 0 N-CA-C 103.492 -2.781 . . . . 31.73 103.492 174.784 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' LEU . . . . . 0.409 ' HA ' ' HD2' ' A' ' 53' ' ' PRO . 27.6 mt -86.3 124.31 70.21 Favored Pre-proline 0 CA--C 1.547 0.861 0 N-CA-C 117.317 2.339 . . . . 14.6 117.317 -176.337 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 52' ' ' LEU . 50.6 Cg_endo -68.79 146.63 66.82 Favored 'Trans proline' 0 CA--C 1.545 1.032 0 C-N-CA 121.997 1.798 . . . . 23.97 115.384 -179.85 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -36.39 -48.28 0.65 Allowed 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 116.519 2.044 . . . . 20.28 116.519 179.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 -76.26 -11.87 59.99 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 119.445 3.128 . . . . 48.34 119.445 -175.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.7 mt -72.17 145.49 48.04 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 118.242 -1.383 . . . . 25.85 109.891 179.723 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 68.2 p -109.56 170.0 8.34 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.345 -0.983 . . . . 23.33 108.345 176.68 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 90.7 t -57.62 -40.02 72.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 112.771 0.656 . . . . 24.53 112.771 179.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLN . . . . . 0.705 ' HB3' ' HB3' ' A' ' 21' ' ' SER . 28.7 pt20 -78.71 -10.22 59.69 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 119.032 -1.067 . . . . 30.88 110.831 -176.645 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.2 m-80 -104.97 17.18 24.6 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 115.076 1.51 . . . . 35.45 115.076 -179.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 21.8 p -154.69 177.32 11.37 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 108.189 -1.041 . . . . 25.28 108.189 177.543 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -76.41 13.6 0.92 Allowed 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 119.606 3.187 . . . . 41.0 119.606 -178.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.0 mt -69.58 137.66 52.54 Favored 'General case' 0 C--O 1.206 -1.196 0 N-CA-C 106.156 -1.794 . . . . 20.69 106.156 178.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -140.65 -179.3 5.96 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 107.462 -1.31 . . . . 31.71 107.462 179.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLN . . . . . 0.423 ' NE2' ' OE1' ' A' ' 66' ' ' GLN . 29.1 tp60 -52.09 128.52 24.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.858 0.837 . . . . 33.78 109.72 -179.244 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLN . . . . . 0.423 ' OE1' ' NE2' ' A' ' 65' ' ' GLN . 29.0 mt-30 63.76 21.04 12.52 Favored 'General case' 0 N--CA 1.434 -1.26 0 N-CA-C 119.016 2.969 . . . . 33.0 119.016 179.483 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.3 m -63.42 154.31 32.51 Favored 'General case' 0 C--O 1.247 0.94 0 N-CA-C 106.846 -1.538 . . . . 12.56 106.846 173.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ILE . . . . . 0.475 ' O ' HG23 ' A' ' 68' ' ' ILE . 1.0 OUTLIER -116.33 129.72 72.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 N-CA-C 107.649 -1.241 . . . . 23.82 107.649 175.306 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.8 m -115.11 153.82 16.56 Favored 'Isoleucine or valine' 0 C--O 1.264 1.859 0 CA-C-O 122.081 0.944 . . . . 20.8 109.662 177.478 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -110.31 115.52 29.83 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 114.122 -1.399 . . . . 20.45 107.971 -179.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ILE . . . . . 0.429 HD12 HG21 ' A' ' 32' ' ' VAL . 9.9 mt -101.16 126.9 54.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 105.492 -2.04 . . . . 18.35 105.492 179.461 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.4 m -119.59 160.39 19.8 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.8 0 CA-C-N 114.879 -1.055 . . . . 17.21 112.333 179.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -104.1 140.79 37.29 Favored 'General case' 0 C--O 1.243 0.715 0 N-CA-C 109.344 -0.613 . . . . 29.49 109.344 -179.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ARG . . . . . 0.584 ' HB3' ' O ' ' A' ' 100' ' ' HOH . 76.7 mmt-85 -142.77 123.94 8.4 Favored Pre-proline 0 CA--C 1.546 0.824 0 N-CA-C 103.899 -2.63 . . . . 25.36 103.899 177.478 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -77.51 155.94 95.98 Favored 'Cis proline' 0 C--O 1.245 0.828 0 C-N-CA 128.256 0.523 . . . . 16.13 111.092 0.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 47.8 ttt85 -153.55 128.88 9.82 Favored 'General case' 0 CA--C 1.512 -0.51 0 N-CA-C 108.115 -1.068 . . . . 44.96 108.115 178.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -58.88 127.17 30.87 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 107.487 -1.301 . . . . 28.2 107.487 178.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ARG . . . . . 0.833 ' HB2' ' O ' ' A' ' 114' ' ' HOH . 12.7 tpt180 . . . . . 0 C--O 1.262 1.758 0 CA-C-O 118.881 -0.58 . . . . 57.77 110.771 -179.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 87' ' ' HOH . . . . . 0.729 ' O ' HG23 ' A' ' 7' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 100' ' ' HOH . . . . . 0.584 ' O ' ' HB3' ' A' ' 74' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . 0.81 ' O ' ' O ' ' A' ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . 0.833 ' O ' ' HB2' ' A' ' 78' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . 0.623 ' O ' ' HG3' ' A' ' 51' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . 0.485 ' HE2' ' HA ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 121.69 0.757 . . . . 69.409999999999997 112.354 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 94.41 113.67 2.53 Favored Glycine 0 N--CA 1.441 -0.991 1 N-CA-C 97.999 -6.04 . . . . 57.07 97.999 -176.267 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 19.1 mtp -93.99 159.74 15.03 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 109.238 -0.653 . . . . 24.5 109.238 -178.724 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.9 mm -113.96 133.71 59.09 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 N-CA-C 105.688 -1.967 . . . . 21.100000000000001 105.688 176.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.0 m -126.83 137.91 56.41 Favored 'Isoleucine or valine' 0 C--O 1.246 0.876 0 N-CA-C 102.503 -3.147 . . . . 19.440000000000001 102.503 174.125 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -94.36 142.32 27.55 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 118.237 -1.385 . . . . 16.32 108.596 -178.212 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 87' ' ' HOH . 54.7 t -118.42 117.29 54.13 Favored 'Isoleucine or valine' 0 C--O 1.245 0.841 0 C-N-CA 120.055 -0.658 . . . . 15.98 112.364 -177.88 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.0 ttp85 -104.67 119.16 38.35 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.239 -0.891 . . . . 31.510000000000002 110.836 179.605 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -134.17 112.71 11.34 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 108.971 -0.751 . . . . 22.879999999999999 108.971 178.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 50.16 44.25 26.06 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.115 0.484 . . . . 48.219999999999999 110.64 179.641 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.5 t -151.17 166.16 31.71 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.717 -0.674 . . . . 29.68 110.357 179.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.7 p -86.7 -14.94 41.04 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 108.665 -0.865 . . . . 33.840000000000003 108.665 177.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -136.74 154.96 50.44 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.86 1.059 . . . . 30.710000000000001 113.86 178.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -101.3 140.09 14.71 Favored Glycine 0 C--O 1.251 1.192 0 N-CA-C 116.233 1.253 . . . . 15.48 116.233 -177.144 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -87.11 149.63 47.87 Favored Pre-proline 0 C--O 1.241 0.657 0 C-N-CA 120.131 -0.628 . . . . 16.850000000000001 109.49 178.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -79.74 131.73 9.37 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 122.908 2.405 . . . . 11.74 113.621 -178.478 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 87' ' ' HOH . 66.1 t -125.13 125.55 69.54 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 CA-C-N 114.283 -1.326 . . . . 12.630000000000001 109.716 179.252 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.4 tp10 -80.3 124.09 28.55 Favored 'General case' 0 CA--C 1.508 -0.66 0 N-CA-C 106.163 -1.791 . . . . 38.82 106.163 178.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.6 m -138.67 175.82 7.54 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 N-CA-C 105.241 -2.133 . . . . 15.890000000000001 105.241 -179.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.0 p30 -142.74 -177.73 5.45 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 117.426 -1.709 . . . . 19.370000000000001 108.76 171.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' SER . . . . . 0.705 ' HB3' ' HB3' ' A' ' 59' ' ' GLN . 14.6 m -52.39 -28.0 17.95 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 115.795 1.776 . . . . 26.539999999999999 115.795 -178.392 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -90.47 0.37 57.34 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 116.835 2.161 . . . . 31.039999999999999 116.835 -178.378 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.5 m -79.03 133.53 36.8 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 106.909 -1.515 . . . . 13.42 106.909 -178.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 92.2 p -93.92 167.59 11.51 Favored 'General case' 0 C--O 1.246 0.912 0 CA-C-O 123.168 1.461 . . . . 17.120000000000001 112.773 177.784 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 26.8 mm -68.86 -38.98 79.4 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 N-CA-C 106.965 -1.495 . . . . 20.809999999999999 106.965 179.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.6 tp -57.22 -46.58 82.81 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 118.573 -1.251 . . . . 19.379999999999999 110.507 178.485 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.38 -40.22 90.07 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.689 0.996 . . . . 24.050000000000001 113.689 178.678 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.1 tp -63.92 -44.84 91.71 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 107.616 -1.253 . . . . 29.98 107.616 178.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.555 ' NZ ' HD21 ' A' ' 54' ' ' ASN . 25.6 mtpt -57.72 -35.64 70.94 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.635 -0.666 . . . . 29.949999999999999 110.278 177.567 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.22 -29.1 69.87 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 119.982 -0.687 . . . . 30.280000000000001 112.732 -177.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.697 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 48.0 t -63.0 -40.97 91.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 N-CA-C 107.878 -1.156 . . . . 20.899999999999999 107.878 176.387 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.429 HG21 HD12 ' A' ' 71' ' ' ILE . 55.3 t -76.08 -34.39 26.56 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 C-N-CA 119.919 -0.712 . . . . 19.73 111.996 177.337 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.475 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -62.79 -34.85 78.13 Favored 'General case' 0 C--O 1.26 1.614 0 C-N-CA 117.95 -1.5 . . . . 21.039999999999999 111.035 -178.913 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.697 ' HE3' ' O ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -78.29 -29.27 47.82 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 114.709 -1.132 . . . . 44.310000000000002 112.467 -179.239 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.524 ' N ' ' HD2' ' A' ' 34' ' ' LYS . 74.5 ttt-85 -78.23 -36.26 47.33 Favored 'General case' 0 C--O 1.243 0.756 0 N-CA-C 109.374 -0.602 . . . . 29.780000000000001 109.374 178.968 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -103.46 -3.85 24.84 Favored 'General case' 0 CA--C 1.504 -0.819 0 N-CA-C 114.747 1.388 . . . . 32.93 114.747 -176.635 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.45 26.87 71.05 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.414 -0.898 . . . . 36.590000000000003 113.544 -179.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.475 ' O ' ' HB1' ' A' ' 33' ' ' ALA . 41.0 t -113.78 141.52 26.25 Favored Pre-proline 0 N--CA 1.475 0.783 0 N-CA-C 108.688 -0.856 . . . . 37.32 108.688 179.701 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -62.06 140.2 82.92 Favored 'Trans proline' 0 C--N 1.349 0.562 0 N-CA-C 114.253 0.828 . . . . 26.75 114.253 -179.728 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.458 ' O ' ' HE3' ' A' ' 29' ' ' LYS . . . -60.04 -27.19 66.72 Favored 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 119.638 -0.825 . . . . 20.190000000000001 112.927 179.508 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -72.32 -9.22 58.2 Favored 'General case' 0 CA--C 1.557 1.219 0 N-CA-C 113.379 0.881 . . . . 43.060000000000002 113.379 179.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -106.27 20.55 18.79 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 108.111 -1.07 . . . . 32.799999999999997 108.111 176.17 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 85.5 mt -124.0 150.7 44.55 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 119.075 -1.05 . . . . 17.850000000000001 110.672 177.617 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.496 ' HB3' ' O ' ' A' ' 121' ' ' HOH . 83.0 mmt-85 -136.05 149.8 48.91 Favored 'General case' 0 C--O 1.213 -0.839 0 N-CA-C 108.994 -0.743 . . . . 20.460000000000001 108.994 177.796 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.2 t -111.69 124.29 68.3 Favored 'Isoleucine or valine' 0 C--O 1.254 1.311 0 O-C-N 123.355 0.409 . . . . 17.649999999999999 110.212 178.471 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 121' ' ' HOH . 70.2 mt -115.98 126.65 73.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 N-CA-C 108.11 -1.07 . . . . 21.899999999999999 108.11 -179.636 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.666 ' O ' ' O ' ' A' ' 110' ' ' HOH . 21.0 t80 -139.9 123.59 17.35 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.902 -1.045 . . . . 26.5 113.641 -177.767 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.81 ' O ' ' O ' ' A' ' 110' ' ' HOH . . . 48.65 48.9 19.37 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 118.623 -1.231 . . . . 23.600000000000001 112.421 177.049 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.33 18.17 73.07 Favored Glycine 0 C--O 1.243 0.691 0 N-CA-C 118.277 2.071 . . . . 24.609999999999999 118.277 178.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.642 ' CE ' ' O ' ' A' ' 110' ' ' HOH . 38.9 mtmt -131.5 126.49 35.11 Favored 'General case' 0 C--O 1.257 1.455 0 C-N-CA 123.85 0.86 . . . . 40.390000000000001 110.489 -179.529 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.623 ' HG3' ' O ' ' A' ' 121' ' ' HOH . 25.2 tt0 -88.08 114.48 24.74 Favored 'General case' 0 C--O 1.253 1.27 0 N-CA-C 103.492 -2.781 . . . . 31.73 103.492 174.784 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.409 ' HA ' ' HD2' ' A' ' 53' ' ' PRO . 27.6 mt -86.3 124.31 70.21 Favored Pre-proline 0 CA--C 1.547 0.861 0 N-CA-C 117.317 2.339 . . . . 14.6 117.317 -176.337 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 52' ' ' LEU . 50.6 Cg_endo -68.79 146.63 66.82 Favored 'Trans proline' 0 CA--C 1.545 1.032 0 C-N-CA 121.997 1.798 . . . . 23.969999999999999 115.384 -179.85 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.555 HD21 ' NZ ' ' A' ' 29' ' ' LYS . 2.2 m120 -36.39 -48.28 0.65 Allowed 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 116.519 2.044 . . . . 20.280000000000001 116.519 179.713 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 -76.26 -11.87 59.99 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 119.445 3.128 . . . . 48.340000000000003 119.445 -175.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.7 mt -72.17 145.49 48.04 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 118.242 -1.383 . . . . 25.850000000000001 109.891 179.723 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 68.2 p -109.56 170.0 8.34 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.345 -0.983 . . . . 23.329999999999998 108.345 176.68 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 90.7 t -57.62 -40.02 72.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 112.771 0.656 . . . . 24.530000000000001 112.771 179.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.705 ' HB3' ' HB3' ' A' ' 21' ' ' SER . 28.7 pt20 -78.71 -10.22 59.69 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 119.032 -1.067 . . . . 30.879999999999999 110.831 -176.645 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.2 m-80 -104.97 17.18 24.6 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 115.076 1.51 . . . . 35.450000000000003 115.076 -179.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 21.8 p -154.69 177.32 11.37 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 108.189 -1.041 . . . . 25.280000000000001 108.189 177.543 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -76.41 13.6 0.92 Allowed 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 119.606 3.187 . . . . 41.0 119.606 -178.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.0 mt -69.58 137.66 52.54 Favored 'General case' 0 C--O 1.206 -1.196 0 N-CA-C 106.156 -1.794 . . . . 20.690000000000001 106.156 178.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -140.65 -179.3 5.96 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 107.462 -1.31 . . . . 31.710000000000001 107.462 179.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.966 ' NE2' HE21 ' A' ' 66' ' ' GLN . 29.1 tp60 -52.09 128.52 24.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.858 0.837 . . . . 33.780000000000001 109.72 -179.244 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.966 HE21 ' NE2' ' A' ' 65' ' ' GLN . 61.9 mt-30 63.76 21.04 12.52 Favored 'General case' 0 N--CA 1.434 -1.26 0 N-CA-C 119.016 2.969 . . . . 33.0 119.016 179.483 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.3 m -63.42 154.31 32.51 Favored 'General case' 0 C--O 1.247 0.94 0 N-CA-C 106.846 -1.538 . . . . 12.56 106.846 173.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.475 HG23 ' O ' ' A' ' 68' ' ' ILE . 1.0 OUTLIER -116.33 129.72 72.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 N-CA-C 107.649 -1.241 . . . . 23.82 107.649 175.306 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.8 m -115.11 153.82 16.56 Favored 'Isoleucine or valine' 0 C--O 1.264 1.859 0 CA-C-O 122.081 0.944 . . . . 20.800000000000001 109.662 177.478 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -110.31 115.52 29.83 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 114.122 -1.399 . . . . 20.449999999999999 107.971 -179.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.429 HD12 HG21 ' A' ' 32' ' ' VAL . 9.9 mt -101.16 126.9 54.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 105.492 -2.04 . . . . 18.350000000000001 105.492 179.461 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.4 m -119.59 160.39 19.8 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.8 0 CA-C-N 114.879 -1.055 . . . . 17.210000000000001 112.333 179.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -104.1 140.79 37.29 Favored 'General case' 0 C--O 1.243 0.715 0 N-CA-C 109.344 -0.613 . . . . 29.489999999999998 109.344 -179.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.584 ' HB3' ' O ' ' A' ' 100' ' ' HOH . 76.7 mmt-85 -142.77 123.94 8.4 Favored Pre-proline 0 CA--C 1.546 0.824 0 N-CA-C 103.899 -2.63 . . . . 25.359999999999999 103.899 177.478 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -77.51 155.94 95.98 Favored 'Cis proline' 0 C--O 1.245 0.828 0 C-N-CA 128.256 0.523 . . . . 16.129999999999999 111.092 0.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 47.8 ttt85 -153.55 128.88 9.82 Favored 'General case' 0 CA--C 1.512 -0.51 0 N-CA-C 108.115 -1.068 . . . . 44.960000000000001 108.115 178.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -58.88 127.17 30.87 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 107.487 -1.301 . . . . 28.199999999999999 107.487 178.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.833 ' HB2' ' O ' ' A' ' 114' ' ' HOH . 12.7 tpt180 . . . . . 0 C--O 1.262 1.758 0 CA-C-O 118.881 -0.58 . . . . 57.770000000000003 110.771 -179.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' HOH . . . . . 0.729 ' O ' HG23 ' A' ' 7' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' HOH . . . . . 0.584 ' O ' ' HB3' ' A' ' 74' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . 0.81 ' O ' ' O ' ' A' ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . 0.833 ' O ' ' HB2' ' A' ' 78' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . 0.623 ' O ' ' HG3' ' A' ' 51' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_