data_1ubq_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 1ubq _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 . . . . . 0.555 ' N ' ' O ' ' A' ' 110' ' ' HOH . 17.9 ptt? . . . . . 0 CA--C 1.548 0.886 0 N-CA-C 107.01 -1.478 . . . . 17.170000000000002 107.01 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -91.02 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 126.974 2.671 . . . . 21.890000000000001 108.918 178.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.3 pt -131.1 163.05 38.06 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.286 0 N-CA-C 105.66 -1.978 . . . . 10.83 105.66 173.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -115.99 140.23 49.47 Favored 'General case' 0 N--CA 1.512 2.644 1 O-C-N 130.495 4.872 . . . . 10.609999999999999 108.77 179.569 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 60.3 t -118.03 114.22 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.89 0 CA-C-O 113.362 -3.209 . . . . 9.1300000000000008 105.592 175.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -95.23 127.54 41.36 Favored 'General case' 0 N--CA 1.504 2.262 1 O-C-N 129.398 4.186 . . . . 20.550000000000001 108.016 -178.116 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.8 p -99.58 170.75 8.37 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.84 -1.076 . . . . 11.779999999999999 109.343 179.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.3 mt -73.43 -6.94 49.48 Favored 'General case' 0 N--CA 1.48 1.053 0 O-C-N 124.059 0.849 . . . . 19.309999999999999 112.673 -177.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.1 p -101.4 14.93 30.45 Favored 'General case' 0 N--CA 1.503 2.182 0 C-N-CA 115.747 -2.381 . . . . 23.140000000000001 112.004 179.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.54 80.25 Favored Glycine 0 C--N 1.297 -1.605 0 O-C-N 120.113 -1.617 . . . . 19.739999999999998 116.156 179.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.4 tttm -96.27 138.08 34.4 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 105.369 -2.086 . . . . 21.93 105.369 175.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.6 m -119.94 131.76 55.3 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 126.603 2.439 . . . . 12.33 106.075 176.16 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -109.47 141.99 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 127.549 3.031 . . . . 17.079999999999998 109.088 179.696 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 44.9 p -101.44 139.74 36.69 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 117.263 -1.775 . . . . 16.300000000000001 108.229 178.15 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.41 154.0 44.23 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 115.43 -2.224 . . . . 15.880000000000001 108.42 -179.262 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -111.8 121.13 44.23 Favored 'General case' 0 N--CA 1.499 1.992 1 O-C-N 129.206 4.066 . . . . 28.899999999999999 103.575 173.993 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.6 m -139.02 170.72 15.76 Favored 'Isoleucine or valine' 0 C--O 1.252 1.214 0 O-C-N 127.681 3.113 . . . . 12.050000000000001 111.215 -177.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -120.04 144.51 37.8 Favored Pre-proline 0 C--N 1.315 -0.927 0 CA-C-N 112.199 -2.273 . . . . 18.170000000000002 106.293 174.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -54.94 -24.53 39.67 Favored 'Trans proline' 0 C--N 1.319 -1.001 0 C-N-CA 122.576 2.184 . . . . 8.1600000000000001 111.938 177.73 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 p -79.84 -8.14 59.11 Favored 'General case' 0 C--O 1.243 0.752 0 CA-C-O 118.089 -0.957 . . . . 11.130000000000001 110.955 -177.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -71.01 148.44 47.63 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 117.385 -1.726 . . . . 18.030000000000001 109.845 -178.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 82.6 p -83.7 160.43 21.3 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 108.212 -1.033 . . . . 10.220000000000001 108.212 175.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.2 mm -61.33 -37.21 77.11 Favored 'Isoleucine or valine' 0 C--O 1.243 0.751 0 O-C-N 127.097 2.748 . . . . 12.300000000000001 110.303 175.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -57.57 -40.49 79.06 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.458 -0.776 . . . . 36.509999999999998 110.745 176.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -65.49 -44.44 87.06 Favored 'General case' 0 C--O 1.248 1.025 0 C-N-CA 124.33 1.052 . . . . 25.66 111.493 -179.641 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.7 t -58.42 -46.41 89.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 125.006 1.441 . . . . 8.1199999999999992 109.22 178.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -60.81 -37.96 83.78 Favored 'General case' 0 C--O 1.256 1.421 0 CA-C-N 115.803 -0.635 . . . . 15.470000000000001 110.791 -179.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.12 87.4 Favored 'General case' 0 C--O 1.278 2.597 0 CA-C-N 117.994 0.361 . . . . 11.449999999999999 111.218 176.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.8 mttm -64.22 -37.26 86.83 Favored 'General case' 0 C--O 1.255 1.394 0 O-C-N 120.381 -1.449 . . . . 24.98 110.823 176.026 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 75.3 mt -70.0 -39.56 77.53 Favored 'Isoleucine or valine' 0 C--O 1.252 1.237 0 N-CA-C 106.807 -1.553 . . . . 9.4600000000000009 106.807 179.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -62.13 -48.63 79.28 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 125.552 2.596 . . . . 14.76 109.064 179.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -53.41 -41.77 66.34 Favored 'General case' 0 C--O 1.254 1.303 0 CA-C-N 113.65 -1.613 . . . . 26.289999999999999 111.772 179.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.322 6.6 ptpt -93.58 -24.4 17.95 Favored 'General case' 0 C--O 1.279 2.638 0 N-CA-C 116.994 2.22 . . . . 30.059999999999999 116.994 -175.653 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -123.58 -6.35 8.09 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 123.099 2.682 . . . . 25.190000000000001 113.961 179.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.22 5.32 90.15 Favored Glycine 0 CA--C 1.478 -2.239 0 N-CA-C 118.857 2.303 . . . . 7.4100000000000001 118.857 176.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.6 mt -79.73 124.87 83.3 Favored Pre-proline 0 C--O 1.244 0.787 0 C-N-CA 118.806 -1.158 . . . . 9.4900000000000002 111.081 179.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -57.0 136.97 79.87 Favored 'Trans proline' 0 C--O 1.259 1.555 0 C-N-CA 123.153 2.569 . . . . 11.42 110.91 178.304 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -57.18 -32.17 92.69 Favored 'Trans proline' 0 C--O 1.261 1.671 0 O-C-N 122.877 0.935 . . . . 12.0 113.418 -179.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -15.57 63.63 Favored 'General case' 0 C--O 1.263 1.778 0 O-C-N 119.947 -1.721 . . . . 35.549999999999997 112.237 -177.443 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -95.8 -10.47 28.96 Favored 'General case' 0 N--CA 1.483 1.197 0 O-C-N 120.527 -1.358 . . . . 20.52 112.034 178.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -84.83 129.7 34.78 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 124.386 2.041 . . . . 7.1299999999999999 115.631 -177.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.7 ttt-85 -121.24 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.536 0 N-CA-C 104.89 -2.263 . . . . 36.390000000000001 104.89 172.096 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.6 mt -103.56 130.24 50.93 Favored 'General case' 0 N--CA 1.485 1.301 0 CA-C-N 119.472 1.033 . . . . 9.5500000000000007 109.965 -177.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.2 mm -122.07 131.81 72.35 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.791 0 O-C-N 125.095 1.497 . . . . 13.9 111.952 -177.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -144.27 129.64 18.87 Favored 'General case' 0 C--N 1.36 1.035 0 N-CA-C 105.39 -2.078 . . . . 6.8600000000000003 105.39 177.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.17 45.99 19.75 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 112.227 -2.261 . . . . 11.15 110.74 177.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.71 21.62 60.92 Favored Glycine 0 N--CA 1.433 -1.552 0 C-N-CA 128.408 2.909 . . . . 13.93 117.471 -179.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LYS . . . . . 0.409 ' CE ' ' O ' ' A' ' 100' ' ' HOH . 8.3 mtmm -115.07 142.71 46.27 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 107.182 -1.414 . . . . 23.920000000000002 107.182 177.648 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -85.77 130.28 34.6 Favored 'General case' 0 C--O 1.259 1.6 0 N-CA-C 103.791 -2.67 . . . . 23.23 103.791 174.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.8 mt -79.56 138.33 37.45 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-O 117.75 -1.119 . . . . 9.1099999999999994 110.066 -175.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 125' ' ' HOH . 6.9 tt0 -101.83 139.96 36.76 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 124.984 1.428 . . . . 33.439999999999998 109.98 -177.705 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -48.19 -42.21 29.25 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 120.738 3.607 . . . . 28.370000000000001 120.738 -175.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.89 85.18 Favored Glycine 0 CA--C 1.492 -1.371 0 N-CA-C 116.07 1.188 . . . . 15.0 116.07 -177.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.45 165.46 17.15 Favored 'General case' 0 C--O 1.25 1.107 0 O-C-N 119.954 -1.91 . . . . 25.5 108.029 176.472 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.1 p -104.51 164.59 11.64 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 106.737 -1.579 . . . . 11.949999999999999 106.737 177.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.22 -36.21 79.29 Favored 'General case' 0 C--O 1.201 -1.471 0 N-CA-C 108.211 -1.033 . . . . 10.17 108.211 177.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 78.7 p -63.89 -29.62 70.79 Favored 'General case' 0 C--O 1.268 2.051 0 C-N-CA 117.292 -1.763 . . . . 13.59 112.182 -179.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -55.55 -39.3 70.44 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-O 122.466 1.127 . . . . 11.699999999999999 110.685 179.759 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -91.02 4.65 51.52 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 117.746 -1.121 . . . . 12.949999999999999 113.023 179.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 57.94 45.36 18.33 Favored 'General case' 0 C--O 1.247 0.962 0 CA-C-N 121.534 1.97 . . . . 25.449999999999999 111.24 179.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 68.0 mt -88.67 116.44 30.35 Favored 'Isoleucine or valine' 0 C--O 1.267 1.996 0 CA-C-O 115.203 -2.332 . . . . 14.6 106.114 175.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -103.44 169.54 8.48 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 126.064 2.103 . . . . 33.229999999999997 109.469 -176.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -54.79 143.06 26.71 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 123.238 1.494 . . . . 25.969999999999999 109.27 -176.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 66.9 19.15 10.66 Favored 'General case' 0 C--O 1.256 1.415 0 N-CA-C 117.922 2.564 . . . . 32.609999999999999 117.922 179.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.8 m -71.15 159.52 34.53 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 107.267 -1.383 . . . . 10.56 107.267 174.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.0 m -119.15 126.67 52.15 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-O 118.298 -0.858 . . . . 5.3300000000000001 108.705 175.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.6 mt -103.14 154.61 19.12 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 114.698 -2.572 . . . . 11.66 105.718 175.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -105.58 135.67 46.56 Favored 'General case' 0 C--N 1.285 -2.21 0 O-C-N 127.405 2.941 . . . . 16.300000000000001 105.841 177.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 50.8 tp -106.97 115.78 30.77 Favored 'General case' 0 C--O 1.282 2.812 0 CA-C-O 117.652 -1.166 . . . . 9.9600000000000009 111.487 176.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.3 t -108.12 139.93 28.46 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.846 0 N-CA-C 103.634 -2.728 . . . . 9.7599999999999998 103.634 175.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.02 138.8 33.13 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-O 121.147 0.499 . . . . 19.57 109.89 178.437 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ARG . . . . . 0.681 ' CG ' ' O ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -117.62 98.81 6.58 Favored 'General case' 0 C--N 1.28 -2.421 0 CA-C-O 113.379 -3.201 . . . . 35.079999999999998 105.467 177.242 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.0 mp -83.72 150.39 25.86 Favored 'General case' 0 C--N 1.292 -1.923 0 O-C-N 125.811 1.945 . . . . 32.310000000000002 109.812 -179.312 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.2 ttp-105 -97.66 93.88 6.65 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-N 113.762 -1.563 . . . . 42.75 108.827 -179.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 120.41 125.56 3.28 Favored Glycine 0 C--O 1.243 0.678 0 CA-C-N 114.652 -1.158 . . . . 36.310000000000002 115.093 179.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.453 0 CA-C-O 116.337 -2.369 . . . . 36.270000000000003 108.423 179.222 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 0 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' HOH . . . . . 0.409 ' O ' ' CE ' ' A' ' 48' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 . . . . . 0.555 ' O ' ' N ' ' A' ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . 0.501 ' O ' ' CG ' ' A' ' 51' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.9 ptt? . . . . . 0 CA--C 1.548 0.886 0 N-CA-C 107.01 -1.478 . . . . 17.170000000000002 107.01 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -91.02 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 126.974 2.671 . . . . 21.890000000000001 108.918 178.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.3 pt -131.1 163.05 38.06 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.286 0 N-CA-C 105.66 -1.978 . . . . 10.83 105.66 173.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -115.99 140.23 49.47 Favored 'General case' 0 N--CA 1.512 2.644 1 O-C-N 130.495 4.872 . . . . 10.609999999999999 108.77 179.569 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 60.3 t -118.03 114.22 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.89 0 CA-C-O 113.362 -3.209 . . . . 9.1300000000000008 105.592 175.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -95.23 127.54 41.36 Favored 'General case' 0 N--CA 1.504 2.262 1 O-C-N 129.398 4.186 . . . . 20.550000000000001 108.016 -178.116 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.8 p -99.58 170.75 8.37 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.84 -1.076 . . . . 11.779999999999999 109.343 179.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.3 mt -73.43 -6.94 49.48 Favored 'General case' 0 N--CA 1.48 1.053 0 O-C-N 124.059 0.849 . . . . 19.309999999999999 112.673 -177.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.1 p -101.4 14.93 30.45 Favored 'General case' 0 N--CA 1.503 2.182 0 C-N-CA 115.747 -2.381 . . . . 23.140000000000001 112.004 179.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLY . . . . . 0.719 ' HA2' ' O ' ' A' ' 107' ' ' HOH . . . 77.44 16.54 80.25 Favored Glycine 0 C--N 1.297 -1.605 0 O-C-N 120.113 -1.617 . . . . 19.739999999999998 116.156 179.796 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.4 tttm -96.27 138.08 34.4 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 105.369 -2.086 . . . . 21.93 105.369 175.008 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.6 m -119.94 131.76 55.3 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 126.603 2.439 . . . . 12.33 106.075 176.16 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -109.47 141.99 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 127.549 3.031 . . . . 17.079999999999998 109.088 179.696 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 44.9 p -101.44 139.74 36.69 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 117.263 -1.775 . . . . 16.300000000000001 108.229 178.15 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.41 154.0 44.23 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 115.43 -2.224 . . . . 15.880000000000001 108.42 -179.262 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -111.8 121.13 44.23 Favored 'General case' 0 N--CA 1.499 1.992 1 O-C-N 129.206 4.066 . . . . 28.899999999999999 103.575 173.993 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.6 m -139.02 170.72 15.76 Favored 'Isoleucine or valine' 0 C--O 1.252 1.214 0 O-C-N 127.681 3.113 . . . . 12.050000000000001 111.215 -177.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -120.04 144.51 37.8 Favored Pre-proline 0 C--N 1.315 -0.927 0 CA-C-N 112.199 -2.273 . . . . 18.170000000000002 106.293 174.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -54.94 -24.53 39.67 Favored 'Trans proline' 0 C--N 1.319 -1.001 0 C-N-CA 122.576 2.184 . . . . 8.1600000000000001 111.938 177.73 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 p -79.84 -8.14 59.11 Favored 'General case' 0 C--O 1.243 0.752 0 CA-C-O 118.089 -0.957 . . . . 11.130000000000001 110.955 -177.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -71.01 148.44 47.63 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 117.385 -1.726 . . . . 18.030000000000001 109.845 -178.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 82.6 p -83.7 160.43 21.3 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 108.212 -1.033 . . . . 10.220000000000001 108.212 175.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ILE . . . . . 0.469 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 39.2 mm -61.33 -37.21 77.11 Favored 'Isoleucine or valine' 0 C--O 1.243 0.751 0 O-C-N 127.097 2.748 . . . . 12.300000000000001 110.303 175.785 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -57.57 -40.49 79.06 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.458 -0.776 . . . . 36.509999999999998 110.745 176.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -65.49 -44.44 87.06 Favored 'General case' 0 C--O 1.248 1.025 0 C-N-CA 124.33 1.052 . . . . 25.66 111.493 -179.641 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.7 t -58.42 -46.41 89.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 125.006 1.441 . . . . 8.1199999999999992 109.22 178.618 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -60.81 -37.96 83.78 Favored 'General case' 0 C--O 1.256 1.421 0 CA-C-N 115.803 -0.635 . . . . 15.470000000000001 110.791 -179.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.12 87.4 Favored 'General case' 0 C--O 1.278 2.597 0 CA-C-N 117.994 0.361 . . . . 11.449999999999999 111.218 176.859 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.8 mttm -64.22 -37.26 86.83 Favored 'General case' 0 C--O 1.255 1.394 0 O-C-N 120.381 -1.449 . . . . 24.98 110.823 176.026 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 75.3 mt -70.0 -39.56 77.53 Favored 'Isoleucine or valine' 0 C--O 1.252 1.237 0 N-CA-C 106.807 -1.553 . . . . 9.4600000000000009 106.807 179.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -62.13 -48.63 79.28 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 125.552 2.596 . . . . 14.76 109.064 179.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -53.41 -41.77 66.34 Favored 'General case' 0 C--O 1.254 1.303 0 CA-C-N 113.65 -1.613 . . . . 26.289999999999999 111.772 179.137 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.322 6.6 ptpt -93.58 -24.4 17.95 Favored 'General case' 0 C--O 1.279 2.638 0 N-CA-C 116.994 2.22 . . . . 30.059999999999999 116.994 -175.653 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -123.58 -6.35 8.09 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 123.099 2.682 . . . . 25.190000000000001 113.961 179.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.22 5.32 90.15 Favored Glycine 0 CA--C 1.478 -2.239 0 N-CA-C 118.857 2.303 . . . . 7.4100000000000001 118.857 176.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.6 mt -79.73 124.87 83.3 Favored Pre-proline 0 C--O 1.244 0.787 0 C-N-CA 118.806 -1.158 . . . . 9.4900000000000002 111.081 179.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 78.4 Cg_exo -57.0 136.97 79.87 Favored 'Trans proline' 0 C--O 1.259 1.555 0 C-N-CA 123.153 2.569 . . . . 11.42 110.91 178.304 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 87.4 Cg_exo -57.18 -32.17 92.69 Favored 'Trans proline' 0 C--O 1.261 1.671 0 O-C-N 122.877 0.935 . . . . 12.0 113.418 -179.288 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ASP . . . . . 0.411 ' HB3' ' O ' ' A' ' 80' ' ' HOH . 0.0 OUTLIER -68.24 -15.57 63.63 Favored 'General case' 0 C--O 1.263 1.778 0 O-C-N 119.947 -1.721 . . . . 35.549999999999997 112.237 -177.443 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -95.8 -10.47 28.96 Favored 'General case' 0 N--CA 1.483 1.197 0 O-C-N 120.527 -1.358 . . . . 20.52 112.034 178.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -84.83 129.7 34.78 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 124.386 2.041 . . . . 7.1299999999999999 115.631 -177.619 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.7 ttt-85 -121.24 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.536 0 N-CA-C 104.89 -2.263 . . . . 36.390000000000001 104.89 172.096 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.6 mt -103.56 130.24 50.93 Favored 'General case' 0 N--CA 1.485 1.301 0 CA-C-N 119.472 1.033 . . . . 9.5500000000000007 109.965 -177.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.2 mm -122.07 131.81 72.35 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.791 0 O-C-N 125.095 1.497 . . . . 13.9 111.952 -177.559 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -144.27 129.64 18.87 Favored 'General case' 0 C--N 1.36 1.035 0 N-CA-C 105.39 -2.078 . . . . 6.8600000000000003 105.39 177.589 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.17 45.99 19.75 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 112.227 -2.261 . . . . 11.15 110.74 177.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.71 21.62 60.92 Favored Glycine 0 N--CA 1.433 -1.552 0 C-N-CA 128.408 2.909 . . . . 13.93 117.471 -179.528 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LYS . . . . . 0.494 ' HE3' ' O ' ' A' ' 100' ' ' HOH . 8.3 mtmm -115.07 142.71 46.27 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 107.182 -1.414 . . . . 23.920000000000002 107.182 177.648 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -85.77 130.28 34.6 Favored 'General case' 0 C--O 1.259 1.6 0 N-CA-C 103.791 -2.67 . . . . 23.23 103.791 174.569 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.8 mt -79.56 138.33 37.45 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-O 117.75 -1.119 . . . . 9.1099999999999994 110.066 -175.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 125' ' ' HOH . 6.9 tt0 -101.83 139.96 36.76 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 124.984 1.428 . . . . 33.439999999999998 109.98 -177.705 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ASP . . . . . 0.469 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 76.2 m-20 -48.19 -42.21 29.25 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 120.738 3.607 . . . . 28.370000000000001 120.738 -175.839 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.89 85.18 Favored Glycine 0 CA--C 1.492 -1.371 0 N-CA-C 116.07 1.188 . . . . 15.0 116.07 -177.236 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.45 165.46 17.15 Favored 'General case' 0 C--O 1.25 1.107 0 O-C-N 119.954 -1.91 . . . . 25.5 108.029 176.472 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.1 p -104.51 164.59 11.64 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 106.737 -1.579 . . . . 11.949999999999999 106.737 177.114 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.22 -36.21 79.29 Favored 'General case' 0 C--O 1.201 -1.471 0 N-CA-C 108.211 -1.033 . . . . 10.17 108.211 177.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 78.7 p -63.89 -29.62 70.79 Favored 'General case' 0 C--O 1.268 2.051 0 C-N-CA 117.292 -1.763 . . . . 13.59 112.182 -179.451 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -55.55 -39.3 70.44 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-O 122.466 1.127 . . . . 11.699999999999999 110.685 179.759 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -91.02 4.65 51.52 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 117.746 -1.121 . . . . 12.949999999999999 113.023 179.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.6 t30 57.94 45.36 18.33 Favored 'General case' 0 C--O 1.247 0.962 0 CA-C-N 121.534 1.97 . . . . 25.449999999999999 111.24 179.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 68.0 mt -88.67 116.44 30.35 Favored 'Isoleucine or valine' 0 C--O 1.267 1.996 0 CA-C-O 115.203 -2.332 . . . . 14.6 106.114 175.853 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -103.44 169.54 8.48 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 126.064 2.103 . . . . 33.229999999999997 109.469 -176.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -54.79 143.06 26.71 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 123.238 1.494 . . . . 25.969999999999999 109.27 -176.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 66.9 19.15 10.66 Favored 'General case' 0 C--O 1.256 1.415 0 N-CA-C 117.922 2.564 . . . . 32.609999999999999 117.922 179.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.8 m -71.15 159.52 34.53 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 107.267 -1.383 . . . . 10.56 107.267 174.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.0 m -119.15 126.67 52.15 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-O 118.298 -0.858 . . . . 5.3300000000000001 108.705 175.931 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.6 mt -103.14 154.61 19.12 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 114.698 -2.572 . . . . 11.66 105.718 175.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -105.58 135.67 46.56 Favored 'General case' 0 C--N 1.285 -2.21 0 O-C-N 127.405 2.941 . . . . 16.300000000000001 105.841 177.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 50.8 tp -106.97 115.78 30.77 Favored 'General case' 0 C--O 1.282 2.812 0 CA-C-O 117.652 -1.166 . . . . 9.9600000000000009 111.487 176.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.3 t -108.12 139.93 28.46 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.846 0 N-CA-C 103.634 -2.728 . . . . 9.7599999999999998 103.634 175.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' LEU . . . . . 0.446 ' HA ' HD12 ' A' ' 71' ' ' LEU . 0.4 OUTLIER -96.02 138.8 33.13 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-O 121.147 0.499 . . . . 19.57 109.89 178.437 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ARG . . . . . 1.038 ' O ' ' HG2' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -117.62 98.81 6.58 Favored 'General case' 0 C--N 1.28 -2.421 0 CA-C-O 113.379 -3.201 . . . . 35.079999999999998 105.467 177.242 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.0 mp -83.72 150.39 25.86 Favored 'General case' 0 C--N 1.292 -1.923 0 O-C-N 125.811 1.945 . . . . 32.310000000000002 109.812 -179.312 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.2 ttp-105 -97.66 93.88 6.65 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-N 113.762 -1.563 . . . . 42.75 108.827 -179.636 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 120.41 125.56 3.28 Favored Glycine 0 C--O 1.243 0.678 0 CA-C-N 114.652 -1.158 . . . . 36.310000000000002 115.093 179.342 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.453 0 CA-C-O 116.337 -2.369 . . . . 36.270000000000003 108.423 179.222 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 80' ' ' HOH . . . . . 0.411 ' O ' ' HB3' ' A' ' 39' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 0 . 1 . 001 ecloud build full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 100' ' ' HOH . . . . . 0.494 ' O ' ' HE3' ' A' ' 48' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 . . . . . 0.719 ' O ' ' HA2' ' A' ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . 0.501 ' O ' ' CG ' ' A' ' 51' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.9 ptt? . . . . . 0 CA--C 1.548 0.886 0 N-CA-C 107.01 -1.478 . . . . 17.170000000000002 107.01 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -91.02 138.26 31.74 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 126.974 2.671 . . . . 21.890000000000001 108.918 178.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.3 pt -131.1 163.05 38.06 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.286 0 N-CA-C 105.66 -1.978 . . . . 10.83 105.66 173.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -115.99 140.23 49.47 Favored 'General case' 0 N--CA 1.512 2.644 1 O-C-N 130.495 4.872 . . . . 10.609999999999999 108.77 179.569 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 60.3 t -118.03 114.22 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.89 0 CA-C-O 113.362 -3.209 . . . . 9.1300000000000008 105.592 175.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -95.23 127.54 41.36 Favored 'General case' 0 N--CA 1.504 2.262 1 O-C-N 129.398 4.186 . . . . 20.550000000000001 108.016 -178.116 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.8 p -99.58 170.75 8.37 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 117.84 -1.076 . . . . 11.779999999999999 109.343 179.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.3 mt -73.43 -6.94 49.48 Favored 'General case' 0 N--CA 1.48 1.053 0 O-C-N 124.059 0.849 . . . . 19.309999999999999 112.673 -177.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.1 p -101.4 14.93 30.45 Favored 'General case' 0 N--CA 1.503 2.182 0 C-N-CA 115.747 -2.381 . . . . 23.140000000000001 112.004 179.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.719 ' HA2' ' O ' ' A' ' 107' ' ' HOH . . . 77.44 16.54 80.25 Favored Glycine 0 C--N 1.297 -1.605 0 O-C-N 120.113 -1.617 . . . . 19.739999999999998 116.156 179.796 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.4 tttm -96.27 138.08 34.4 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 105.369 -2.086 . . . . 21.93 105.369 175.008 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.6 m -119.94 131.76 55.3 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 126.603 2.439 . . . . 12.33 106.075 176.16 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -109.47 141.99 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 127.549 3.031 . . . . 17.079999999999998 109.088 179.696 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 44.9 p -101.44 139.74 36.69 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 117.263 -1.775 . . . . 16.300000000000001 108.229 178.15 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.41 154.0 44.23 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 115.43 -2.224 . . . . 15.880000000000001 108.42 -179.262 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -111.8 121.13 44.23 Favored 'General case' 0 N--CA 1.499 1.992 1 O-C-N 129.206 4.066 . . . . 28.899999999999999 103.575 173.993 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.6 m -139.02 170.72 15.76 Favored 'Isoleucine or valine' 0 C--O 1.252 1.214 0 O-C-N 127.681 3.113 . . . . 12.050000000000001 111.215 -177.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -120.04 144.51 37.8 Favored Pre-proline 0 C--N 1.315 -0.927 0 CA-C-N 112.199 -2.273 . . . . 18.170000000000002 106.293 174.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -54.94 -24.53 39.67 Favored 'Trans proline' 0 C--N 1.319 -1.001 0 C-N-CA 122.576 2.184 . . . . 8.1600000000000001 111.938 177.73 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 p -79.84 -8.14 59.11 Favored 'General case' 0 C--O 1.243 0.752 0 CA-C-O 118.089 -0.957 . . . . 11.130000000000001 110.955 -177.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -71.01 148.44 47.63 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 117.385 -1.726 . . . . 18.030000000000001 109.845 -178.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 82.6 p -83.7 160.43 21.3 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 108.212 -1.033 . . . . 10.220000000000001 108.212 175.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.469 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 39.2 mm -61.33 -37.21 77.11 Favored 'Isoleucine or valine' 0 C--O 1.243 0.751 0 O-C-N 127.097 2.748 . . . . 12.300000000000001 110.303 175.785 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -57.57 -40.49 79.06 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.458 -0.776 . . . . 36.509999999999998 110.745 176.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -65.49 -44.44 87.06 Favored 'General case' 0 C--O 1.248 1.025 0 C-N-CA 124.33 1.052 . . . . 25.66 111.493 -179.641 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.7 t -58.42 -46.41 89.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 125.006 1.441 . . . . 8.1199999999999992 109.22 178.618 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -60.81 -37.96 83.78 Favored 'General case' 0 C--O 1.256 1.421 0 CA-C-N 115.803 -0.635 . . . . 15.470000000000001 110.791 -179.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.12 87.4 Favored 'General case' 0 C--O 1.278 2.597 0 CA-C-N 117.994 0.361 . . . . 11.449999999999999 111.218 176.859 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.8 mttm -64.22 -37.26 86.83 Favored 'General case' 0 C--O 1.255 1.394 0 O-C-N 120.381 -1.449 . . . . 24.98 110.823 176.026 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 75.3 mt -70.0 -39.56 77.53 Favored 'Isoleucine or valine' 0 C--O 1.252 1.237 0 N-CA-C 106.807 -1.553 . . . . 9.4600000000000009 106.807 179.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -62.13 -48.63 79.28 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 125.552 2.596 . . . . 14.76 109.064 179.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -53.41 -41.77 66.34 Favored 'General case' 0 C--O 1.254 1.303 0 CA-C-N 113.65 -1.613 . . . . 26.289999999999999 111.772 179.137 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.322 6.6 ptpt -93.58 -24.4 17.95 Favored 'General case' 0 C--O 1.279 2.638 0 N-CA-C 116.994 2.22 . . . . 30.059999999999999 116.994 -175.653 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -123.58 -6.35 8.09 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 123.099 2.682 . . . . 25.190000000000001 113.961 179.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.22 5.32 90.15 Favored Glycine 0 CA--C 1.478 -2.239 0 N-CA-C 118.857 2.303 . . . . 7.4100000000000001 118.857 176.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.6 mt -79.73 124.87 83.3 Favored Pre-proline 0 C--O 1.244 0.787 0 C-N-CA 118.806 -1.158 . . . . 9.4900000000000002 111.081 179.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 78.4 Cg_exo -57.0 136.97 79.87 Favored 'Trans proline' 0 C--O 1.259 1.555 0 C-N-CA 123.153 2.569 . . . . 11.42 110.91 178.304 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 87.4 Cg_exo -57.18 -32.17 92.69 Favored 'Trans proline' 0 C--O 1.261 1.671 0 O-C-N 122.877 0.935 . . . . 12.0 113.418 -179.288 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.411 ' HB3' ' O ' ' A' ' 80' ' ' HOH . 0.0 OUTLIER -68.24 -15.57 63.63 Favored 'General case' 0 C--O 1.263 1.778 0 O-C-N 119.947 -1.721 . . . . 35.549999999999997 112.237 -177.443 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -95.8 -10.47 28.96 Favored 'General case' 0 N--CA 1.483 1.197 0 O-C-N 120.527 -1.358 . . . . 20.52 112.034 178.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -84.83 129.7 34.78 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 124.386 2.041 . . . . 7.1299999999999999 115.631 -177.619 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.601 ' HE ' ' NE2' ' A' ' 49' ' ' GLN . 40.7 ttt-85 -121.24 115.96 23.98 Favored 'General case' 0 C--O 1.296 3.536 0 N-CA-C 104.89 -2.263 . . . . 36.390000000000001 104.89 172.096 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.6 mt -103.56 130.24 50.93 Favored 'General case' 0 N--CA 1.485 1.301 0 CA-C-N 119.472 1.033 . . . . 9.5500000000000007 109.965 -177.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.2 mm -122.07 131.81 72.35 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.791 0 O-C-N 125.095 1.497 . . . . 13.9 111.952 -177.559 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -144.27 129.64 18.87 Favored 'General case' 0 C--N 1.36 1.035 0 N-CA-C 105.39 -2.078 . . . . 6.8600000000000003 105.39 177.589 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.17 45.99 19.75 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 112.227 -2.261 . . . . 11.15 110.74 177.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.71 21.62 60.92 Favored Glycine 0 N--CA 1.433 -1.552 0 C-N-CA 128.408 2.909 . . . . 13.93 117.471 -179.528 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.494 ' HE3' ' O ' ' A' ' 100' ' ' HOH . 8.3 mtmm -115.07 142.71 46.27 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 107.182 -1.414 . . . . 23.920000000000002 107.182 177.648 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.601 ' NE2' ' HE ' ' A' ' 42' ' ' ARG . 18.4 tt0 -85.77 130.28 34.6 Favored 'General case' 0 C--O 1.259 1.6 0 N-CA-C 103.791 -2.67 . . . . 23.23 103.791 174.569 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.8 mt -79.56 138.33 37.45 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-O 117.75 -1.119 . . . . 9.1099999999999994 110.066 -175.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 125' ' ' HOH . 6.9 tt0 -101.83 139.96 36.76 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 124.984 1.428 . . . . 33.439999999999998 109.98 -177.705 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.469 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 76.2 m-20 -48.19 -42.21 29.25 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 120.738 3.607 . . . . 28.370000000000001 120.738 -175.839 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.93 -8.89 85.18 Favored Glycine 0 CA--C 1.492 -1.371 0 N-CA-C 116.07 1.188 . . . . 15.0 116.07 -177.236 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.45 165.46 17.15 Favored 'General case' 0 C--O 1.25 1.107 0 O-C-N 119.954 -1.91 . . . . 25.5 108.029 176.472 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.1 p -104.51 164.59 11.64 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 106.737 -1.579 . . . . 11.949999999999999 106.737 177.114 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.22 -36.21 79.29 Favored 'General case' 0 C--O 1.201 -1.471 0 N-CA-C 108.211 -1.033 . . . . 10.17 108.211 177.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 78.7 p -63.89 -29.62 70.79 Favored 'General case' 0 C--O 1.268 2.051 0 C-N-CA 117.292 -1.763 . . . . 13.59 112.182 -179.451 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -55.55 -39.3 70.44 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-O 122.466 1.127 . . . . 11.699999999999999 110.685 179.759 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -91.02 4.65 51.52 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 117.746 -1.121 . . . . 12.949999999999999 113.023 179.28 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 57.94 45.36 18.33 Favored 'General case' 0 C--O 1.247 0.962 0 CA-C-N 121.534 1.97 . . . . 25.449999999999999 111.24 179.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 68.0 mt -88.67 116.44 30.35 Favored 'Isoleucine or valine' 0 C--O 1.267 1.996 0 CA-C-O 115.203 -2.332 . . . . 14.6 106.114 175.853 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -103.44 169.54 8.48 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 126.064 2.103 . . . . 33.229999999999997 109.469 -176.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -54.79 143.06 26.71 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 123.238 1.494 . . . . 25.969999999999999 109.27 -176.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 66.9 19.15 10.66 Favored 'General case' 0 C--O 1.256 1.415 0 N-CA-C 117.922 2.564 . . . . 32.609999999999999 117.922 179.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.8 m -71.15 159.52 34.53 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 107.267 -1.383 . . . . 10.56 107.267 174.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.0 m -119.15 126.67 52.15 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-O 118.298 -0.858 . . . . 5.3300000000000001 108.705 175.931 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.6 mt -103.14 154.61 19.12 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 114.698 -2.572 . . . . 11.66 105.718 175.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -105.58 135.67 46.56 Favored 'General case' 0 C--N 1.285 -2.21 0 O-C-N 127.405 2.941 . . . . 16.300000000000001 105.841 177.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 50.8 tp -106.97 115.78 30.77 Favored 'General case' 0 C--O 1.282 2.812 0 CA-C-O 117.652 -1.166 . . . . 9.9600000000000009 111.487 176.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.3 t -108.12 139.93 28.46 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.846 0 N-CA-C 103.634 -2.728 . . . . 9.7599999999999998 103.634 175.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.446 ' HA ' HD12 ' A' ' 71' ' ' LEU . 0.4 OUTLIER -96.02 138.8 33.13 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-O 121.147 0.499 . . . . 19.57 109.89 178.437 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ARG . . . . . 1.038 ' O ' ' HG2' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -117.62 98.81 6.58 Favored 'General case' 0 C--N 1.28 -2.421 0 CA-C-O 113.379 -3.201 . . . . 35.079999999999998 105.467 177.242 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.0 mp -83.72 150.39 25.86 Favored 'General case' 0 C--N 1.292 -1.923 0 O-C-N 125.811 1.945 . . . . 32.310000000000002 109.812 -179.312 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.2 ttp-105 -97.66 93.88 6.65 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-N 113.762 -1.563 . . . . 42.75 108.827 -179.636 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 120.41 125.56 3.28 Favored Glycine 0 C--O 1.243 0.678 0 CA-C-N 114.652 -1.158 . . . . 36.310000000000002 115.093 179.342 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.453 0 CA-C-O 116.337 -2.369 . . . . 36.270000000000003 108.423 179.222 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' HOH . . . . . 0.411 ' O ' ' HB3' ' A' ' 39' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 0 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' HOH . . . . . 0.494 ' O ' ' HE3' ' A' ' 48' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 . . . . . 0.719 ' O ' ' HA2' ' A' ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . 0.501 ' O ' ' CG ' ' A' ' 51' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_