data_3l37_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 3l37 _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 ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 . . . . . . . . 47.009999999999998 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.8 tpt85 -81.81 -18.68 43.16 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 120.968 0.413 . . . . 55.640000000000001 110.752 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 11.3 mtt -87.39 -27.49 22.74 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 114.143 1.164 . . . . 57.520000000000003 114.143 176.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -71.64 -35.04 70.26 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 119.68 -0.808 . . . . 49.649999999999999 109.9 169.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -67.21 -44.09 80.43 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 112.505 0.557 . . . . 48.560000000000002 112.505 177.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 52.9 mt -67.95 -33.76 63.19 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-N 116.586 -0.279 . . . . 44.950000000000003 111.438 175.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -73.68 -24.04 59.9 Favored 'General case' 0 C--O 1.245 0.834 0 N-CA-C 114.005 1.113 . . . . 50.259999999999998 114.005 175.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -69.02 -41.09 78.19 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.692 -0.855 . . . . 44.450000000000003 108.692 172.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -66.31 -34.68 78.53 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 123.634 0.584 . . . . 45.240000000000002 110.729 179.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.3 mt -63.85 -42.15 94.88 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.493 0 CA-C-N 117.697 0.226 . . . . 41.359999999999999 111.111 174.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . 0.804 ' OE1' ' O ' ' A' ' 65' ' ' HOH . 76.8 mm-40 -63.92 -35.66 81.38 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.161 0.43 . . . . 41.560000000000002 112.161 178.425 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -73.09 -39.81 65.51 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.015 0.436 . . . . 47.68 111.212 178.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.8 mt -68.52 -35.0 68.52 Favored 'Isoleucine or valine' 0 C--O 1.249 1.028 0 N-CA-C 112.081 0.4 . . . . 40.5 112.081 176.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -65.27 -45.56 84.04 Favored 'General case' 0 CA--C 1.51 -0.569 0 C-N-CA 123.253 0.621 . . . . 44.390000000000001 110.546 174.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.9 p -65.28 -36.75 85.07 Favored 'General case' 0 C--O 1.243 0.76 0 N-CA-C 108.331 -0.989 . . . . 38.890000000000001 108.331 -174.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -72.91 -37.03 67.38 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 118.407 -0.806 . . . . 44.310000000000002 111.688 179.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -62.62 -43.89 97.67 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 109.376 -0.601 . . . . 37.130000000000003 109.376 176.634 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -39.88 82.9 Favored 'General case' 0 C--O 1.242 0.701 0 O-C-N 121.991 -0.443 . . . . 43.210000000000001 111.571 175.014 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -64.85 -42.65 94.72 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.16 -1.052 . . . . 44.920000000000002 108.16 178.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.7 mt -61.17 -47.49 93.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 CA-C-O 121.663 0.744 . . . . 25.960000000000001 109.381 -178.393 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . 0.803 ' OE1' ' O ' ' A' ' 66' ' ' HOH . 55.8 mt-10 -61.77 -36.93 82.48 Favored 'General case' 0 C--N 1.313 -1.001 0 O-C-N 120.795 -1.191 . . . . 36.630000000000003 112.721 179.645 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -67.8 -38.51 83.42 Favored 'General case' 0 C--O 1.249 1.046 0 N-CA-C 108.563 -0.903 . . . . 33.979999999999997 108.563 -179.293 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.2 tp10 -69.91 -42.11 73.78 Favored 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 123.296 0.638 . . . . 42.340000000000003 111.061 178.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.1 mt -56.66 -42.55 76.94 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 C-N-CA 123.598 0.759 . . . . 25.93 109.829 176.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.89 -40.24 96.07 Favored 'General case' 0 C--O 1.247 0.935 0 CA-C-N 119.231 0.923 . . . . 19.420000000000002 109.931 179.393 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 89.9 mtm-85 -65.24 -42.33 93.46 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.619 0.723 . . . . 38.729999999999997 109.859 178.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.9 mt -59.15 -43.29 89.09 Favored 'Isoleucine or valine' 0 C--O 1.263 1.775 0 O-C-N 120.174 -1.579 . . . . 22.73 111.085 176.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -64.43 -38.23 90.3 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 108.735 -0.839 . . . . 34.039999999999999 108.735 -177.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -67.2 -46.42 73.94 Favored 'General case' 0 C--O 1.266 1.963 0 CA-C-N 118.477 0.581 . . . . 38.420000000000002 109.453 -178.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 46.9 tp -64.5 -40.79 96.33 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 118.235 0.47 . . . . 22.02 109.734 179.665 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.8 tp -60.51 -37.08 79.96 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 118.985 0.811 . . . . 22.859999999999999 109.308 178.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 -65.42 -39.52 92.21 Favored 'General case' 0 C--O 1.249 1.029 0 O-C-N 120.141 -1.599 . . . . 38.810000000000002 108.775 177.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.4 mt -65.58 -38.16 88.74 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-O 118.332 -0.842 . . . . 26.969999999999999 111.108 176.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.4 p -67.26 -36.49 81.72 Favored 'General case' 0 C--O 1.25 1.105 0 CA-C-N 120.048 1.294 . . . . 19.469999999999999 110.762 178.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 37.2 t -62.15 -45.73 98.07 Favored 'Isoleucine or valine' 0 C--O 1.252 1.194 0 CA-C-N 119.79 1.177 . . . . 21.359999999999999 107.909 177.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 72.8 t90 -58.78 -43.87 90.54 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.34 -0.615 . . . . 27.219999999999999 109.34 179.234 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.19 -39.9 97.53 Favored Glycine 0 C--O 1.241 0.55 0 C-N-CA 119.859 -1.162 . . . . 18.219999999999999 113.365 -179.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 70.1 mt -64.86 -43.42 96.35 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 CA-C-N 120.393 2.097 . . . . 20.300000000000001 110.654 175.279 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -64.09 -40.57 96.51 Favored 'General case' 0 C--O 1.267 2.014 0 N-CA-C 107.619 -1.252 . . . . 34.43 107.619 -179.411 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 32.0 tp60 -66.8 -46.75 74.24 Favored 'General case' 0 C--O 1.261 1.694 0 O-C-N 121.61 -0.682 . . . . 28.43 110.833 -177.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 57.6 mt -57.34 -48.49 78.85 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 122.931 0.492 . . . . 28.940000000000001 112.056 176.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -59.22 -45.05 92.16 Favored 'General case' 0 C--O 1.25 1.088 0 O-C-N 121.532 -0.73 . . . . 28.640000000000001 109.544 -179.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.66 -37.92 70.73 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 112.091 0.404 . . . . 33.630000000000003 112.091 -173.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -76.8 -5.47 48.36 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 119.663 -0.815 . . . . 53.020000000000003 109.721 -175.285 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -110.31 -39.76 3.91 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 N-CA-C 115.788 1.773 . . . . 46.490000000000002 115.788 177.74 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.9 mt -60.77 -90.28 0.0 OUTLIER 'General case' 0 C--O 1.239 0.547 0 N-CA-C 113.245 0.831 . . . . 48.600000000000001 113.245 -179.042 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.033 0 O-C-N 128.705 3.753 . . . . 48.310000000000002 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.038 . . . . . . . . 37.159999999999997 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 1' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 2' ' ' GLY . . . . . . . . . . . . . . . -58.07 131.88 52.27 Favored Glycine 0 CA--C 1.52 0.353 0 N-CA-C 113.863 0.305 . . . . 37.780000000000001 113.863 179.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 3' ' ' DHI . . . . . 0.7 ' CB ' ' O ' ' H' ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 5' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 6' ' ' DAS . . . . . 0.414 ' OD2' ' O ' ' H' ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 7' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 9' ' ' DGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 10' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 11' ' ' DGN . . . . . . . . . . . . 2.425 . . . . . . . 0 C--O 1.208 -1.113 0 CA-C-O 117.222 -1.37 . . . . 30.5 111.451 -178.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 12' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 13' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 14' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 15' ' ' DGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 16' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.157 2 O-C-N 115.199 -4.688 . . . . 30.449999999999999 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' HOH . . . . . 0.804 ' O ' ' OE1' ' A' ' 10' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' HOH . . . . . 0.803 ' O ' ' OE1' ' A' ' 20' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 21' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 22' ' ' HOH . . . . . 0.414 ' O ' ' OD2' ' H' ' 6' ' ' DAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 31' ' ' HOH . . . . . 0.7 ' O ' ' CB ' ' H' ' 3' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 . . . . . . . . 47.009999999999998 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.8 tpt85 -81.81 -18.68 43.16 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 120.968 0.413 . . . . 55.640000000000001 110.752 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 11.3 mtt -87.39 -27.49 22.74 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 114.143 1.164 . . . . 57.520000000000003 114.143 176.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -71.64 -35.04 70.26 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 119.68 -0.808 . . . . 49.649999999999999 109.9 169.464 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -67.21 -44.09 80.43 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 112.505 0.557 . . . . 48.560000000000002 112.505 177.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 52.9 mt -67.95 -33.76 63.19 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-N 116.586 -0.279 . . . . 44.950000000000003 111.438 175.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -73.68 -24.04 59.9 Favored 'General case' 0 C--O 1.245 0.834 0 N-CA-C 114.005 1.113 . . . . 50.259999999999998 114.005 175.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -69.02 -41.09 78.19 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.692 -0.855 . . . . 44.450000000000003 108.692 172.878 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -66.31 -34.68 78.53 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 123.634 0.584 . . . . 45.240000000000002 110.729 179.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.3 mt -63.85 -42.15 94.88 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.493 0 CA-C-N 117.697 0.226 . . . . 41.359999999999999 111.111 174.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . 0.804 ' OE1' ' O ' ' A' ' 65' ' ' HOH . 76.8 mm-40 -63.92 -35.66 81.38 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.161 0.43 . . . . 41.560000000000002 112.161 178.425 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -73.09 -39.81 65.51 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.015 0.436 . . . . 47.68 111.212 178.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.8 mt -68.52 -35.0 68.52 Favored 'Isoleucine or valine' 0 C--O 1.249 1.028 0 N-CA-C 112.081 0.4 . . . . 40.5 112.081 176.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -65.27 -45.56 84.04 Favored 'General case' 0 CA--C 1.51 -0.569 0 C-N-CA 123.253 0.621 . . . . 44.390000000000001 110.546 174.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.9 p -65.28 -36.75 85.07 Favored 'General case' 0 C--O 1.243 0.76 0 N-CA-C 108.331 -0.989 . . . . 38.890000000000001 108.331 -174.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -72.91 -37.03 67.38 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 118.407 -0.806 . . . . 44.310000000000002 111.688 179.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -62.62 -43.89 97.67 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 109.376 -0.601 . . . . 37.130000000000003 109.376 176.634 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -39.88 82.9 Favored 'General case' 0 C--O 1.242 0.701 0 O-C-N 121.991 -0.443 . . . . 43.210000000000001 111.571 175.014 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -64.85 -42.65 94.72 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.16 -1.052 . . . . 44.920000000000002 108.16 178.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.7 mt -61.17 -47.49 93.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 CA-C-O 121.663 0.744 . . . . 25.960000000000001 109.381 -178.393 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . 0.803 ' OE1' ' O ' ' A' ' 66' ' ' HOH . 55.8 mt-10 -61.77 -36.93 82.48 Favored 'General case' 0 C--N 1.313 -1.001 0 O-C-N 120.795 -1.191 . . . . 36.630000000000003 112.721 179.645 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -67.8 -38.51 83.42 Favored 'General case' 0 C--O 1.249 1.046 0 N-CA-C 108.563 -0.903 . . . . 33.979999999999997 108.563 -179.293 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.2 tp10 -69.91 -42.11 73.78 Favored 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 123.296 0.638 . . . . 42.340000000000003 111.061 178.59 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.1 mt -56.66 -42.55 76.94 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 C-N-CA 123.598 0.759 . . . . 25.93 109.829 176.245 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.89 -40.24 96.07 Favored 'General case' 0 C--O 1.247 0.935 0 CA-C-N 119.231 0.923 . . . . 19.420000000000002 109.931 179.393 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 89.9 mtm-85 -65.24 -42.33 93.46 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.619 0.723 . . . . 38.729999999999997 109.859 178.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.9 mt -59.15 -43.29 89.09 Favored 'Isoleucine or valine' 0 C--O 1.263 1.775 0 O-C-N 120.174 -1.579 . . . . 22.73 111.085 176.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -64.43 -38.23 90.3 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 108.735 -0.839 . . . . 34.039999999999999 108.735 -177.441 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -67.2 -46.42 73.94 Favored 'General case' 0 C--O 1.266 1.963 0 CA-C-N 118.477 0.581 . . . . 38.420000000000002 109.453 -178.498 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 46.9 tp -64.5 -40.79 96.33 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 118.235 0.47 . . . . 22.02 109.734 179.665 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.8 tp -60.51 -37.08 79.96 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 118.985 0.811 . . . . 22.859999999999999 109.308 178.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 -65.42 -39.52 92.21 Favored 'General case' 0 C--O 1.249 1.029 0 O-C-N 120.141 -1.599 . . . . 38.810000000000002 108.775 177.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.4 mt -65.58 -38.16 88.74 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-O 118.332 -0.842 . . . . 26.969999999999999 111.108 176.073 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.4 p -67.26 -36.49 81.72 Favored 'General case' 0 C--O 1.25 1.105 0 CA-C-N 120.048 1.294 . . . . 19.469999999999999 110.762 178.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 37.2 t -62.15 -45.73 98.07 Favored 'Isoleucine or valine' 0 C--O 1.252 1.194 0 CA-C-N 119.79 1.177 . . . . 21.359999999999999 107.909 177.02 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 72.8 t90 -58.78 -43.87 90.54 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.34 -0.615 . . . . 27.219999999999999 109.34 179.234 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.19 -39.9 97.53 Favored Glycine 0 C--O 1.241 0.55 0 C-N-CA 119.859 -1.162 . . . . 18.219999999999999 113.365 -179.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 70.1 mt -64.86 -43.42 96.35 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 CA-C-N 120.393 2.097 . . . . 20.300000000000001 110.654 175.279 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -64.09 -40.57 96.51 Favored 'General case' 0 C--O 1.267 2.014 0 N-CA-C 107.619 -1.252 . . . . 34.43 107.619 -179.411 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 32.0 tp60 -66.8 -46.75 74.24 Favored 'General case' 0 C--O 1.261 1.694 0 O-C-N 121.61 -0.682 . . . . 28.43 110.833 -177.42 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 57.6 mt -57.34 -48.49 78.85 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 122.931 0.492 . . . . 28.940000000000001 112.056 176.087 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -59.22 -45.05 92.16 Favored 'General case' 0 C--O 1.25 1.088 0 O-C-N 121.532 -0.73 . . . . 28.640000000000001 109.544 -179.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.66 -37.92 70.73 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 112.091 0.404 . . . . 33.630000000000003 112.091 -173.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -76.8 -5.47 48.36 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 119.663 -0.815 . . . . 53.020000000000003 109.721 -175.285 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -110.31 -39.76 3.91 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 N-CA-C 115.788 1.773 . . . . 46.490000000000002 115.788 177.74 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.9 mt -60.77 -90.28 0.0 OUTLIER 'General case' 0 C--O 1.239 0.547 0 N-CA-C 113.245 0.831 . . . . 48.600000000000001 113.245 -179.042 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.033 0 O-C-N 128.705 3.753 . . . . 48.310000000000002 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.038 . . . . . . . . 37.159999999999997 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 1' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 2' ' ' GLY . . . . . . . . . . . . . . . -58.07 131.88 52.27 Favored Glycine 0 CA--C 1.52 0.353 0 N-CA-C 113.863 0.305 . . . . 37.780000000000001 113.863 179.02 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 3' ' ' DHI . . . . . 0.702 ' HB2' ' O ' ' H' ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 5' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 6' ' ' DAS . . . . . 0.414 ' OD2' ' O ' ' H' ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 7' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 9' ' ' DGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 10' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 11' ' ' DGN . . . . . . . . . . . . 2.425 . . . . . . . 0 C--O 1.208 -1.113 0 CA-C-O 117.222 -1.37 . . . . 30.5 111.451 -178.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 12' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 13' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 14' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 15' ' ' DGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 16' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.157 2 O-C-N 115.199 -4.688 . . . . 30.449999999999999 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 65' ' ' HOH . . . . . 0.804 ' O ' ' OE1' ' A' ' 10' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' HOH . . . . . 0.803 ' O ' ' OE1' ' A' ' 20' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 21' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 22' ' ' HOH . . . . . 0.414 ' O ' ' OD2' ' H' ' 6' ' ' DAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 31' ' ' HOH . . . . . 0.702 ' O ' ' HB2' ' H' ' 3' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 . . . . . . . . 47.009999999999998 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.8 tpt85 -81.81 -18.68 43.16 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 120.968 0.413 . . . . 55.640000000000001 110.752 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 11.3 mtt -87.39 -27.49 22.74 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 114.143 1.164 . . . . 57.520000000000003 114.143 176.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -71.64 -35.04 70.26 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 119.68 -0.808 . . . . 49.649999999999999 109.9 169.464 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -67.21 -44.09 80.43 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 112.505 0.557 . . . . 48.560000000000002 112.505 177.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 52.9 mt -67.95 -33.76 63.19 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-N 116.586 -0.279 . . . . 44.950000000000003 111.438 175.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -73.68 -24.04 59.9 Favored 'General case' 0 C--O 1.245 0.834 0 N-CA-C 114.005 1.113 . . . . 50.259999999999998 114.005 175.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -69.02 -41.09 78.19 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.692 -0.855 . . . . 44.450000000000003 108.692 172.878 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -66.31 -34.68 78.53 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 123.634 0.584 . . . . 45.240000000000002 110.729 179.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.3 mt -63.85 -42.15 94.88 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.493 0 CA-C-N 117.697 0.226 . . . . 41.359999999999999 111.111 174.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.804 ' OE1' ' O ' ' A' ' 65' ' ' HOH . 76.8 mm-40 -63.92 -35.66 81.38 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.161 0.43 . . . . 41.560000000000002 112.161 178.425 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -73.09 -39.81 65.51 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.015 0.436 . . . . 47.68 111.212 178.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.8 mt -68.52 -35.0 68.52 Favored 'Isoleucine or valine' 0 C--O 1.249 1.028 0 N-CA-C 112.081 0.4 . . . . 40.5 112.081 176.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -65.27 -45.56 84.04 Favored 'General case' 0 CA--C 1.51 -0.569 0 C-N-CA 123.253 0.621 . . . . 44.390000000000001 110.546 174.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.9 p -65.28 -36.75 85.07 Favored 'General case' 0 C--O 1.243 0.76 0 N-CA-C 108.331 -0.989 . . . . 38.890000000000001 108.331 -174.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -72.91 -37.03 67.38 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 118.407 -0.806 . . . . 44.310000000000002 111.688 179.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -62.62 -43.89 97.67 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 109.376 -0.601 . . . . 37.130000000000003 109.376 176.634 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -39.88 82.9 Favored 'General case' 0 C--O 1.242 0.701 0 O-C-N 121.991 -0.443 . . . . 43.210000000000001 111.571 175.014 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -64.85 -42.65 94.72 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.16 -1.052 . . . . 44.920000000000002 108.16 178.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.7 mt -61.17 -47.49 93.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 CA-C-O 121.663 0.744 . . . . 25.960000000000001 109.381 -178.393 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.803 ' OE1' ' O ' ' A' ' 66' ' ' HOH . 55.8 mt-10 -61.77 -36.93 82.48 Favored 'General case' 0 C--N 1.313 -1.001 0 O-C-N 120.795 -1.191 . . . . 36.630000000000003 112.721 179.645 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -67.8 -38.51 83.42 Favored 'General case' 0 C--O 1.249 1.046 0 N-CA-C 108.563 -0.903 . . . . 33.979999999999997 108.563 -179.293 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.2 tp10 -69.91 -42.11 73.78 Favored 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 123.296 0.638 . . . . 42.340000000000003 111.061 178.59 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.1 mt -56.66 -42.55 76.94 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 C-N-CA 123.598 0.759 . . . . 25.93 109.829 176.245 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.89 -40.24 96.07 Favored 'General case' 0 C--O 1.247 0.935 0 CA-C-N 119.231 0.923 . . . . 19.420000000000002 109.931 179.393 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 89.9 mtm-85 -65.24 -42.33 93.46 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.619 0.723 . . . . 38.729999999999997 109.859 178.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.9 mt -59.15 -43.29 89.09 Favored 'Isoleucine or valine' 0 C--O 1.263 1.775 0 O-C-N 120.174 -1.579 . . . . 22.73 111.085 176.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -64.43 -38.23 90.3 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 108.735 -0.839 . . . . 34.039999999999999 108.735 -177.441 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -67.2 -46.42 73.94 Favored 'General case' 0 C--O 1.266 1.963 0 CA-C-N 118.477 0.581 . . . . 38.420000000000002 109.453 -178.498 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 46.9 tp -64.5 -40.79 96.33 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 118.235 0.47 . . . . 22.02 109.734 179.665 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.8 tp -60.51 -37.08 79.96 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 118.985 0.811 . . . . 22.859999999999999 109.308 178.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 -65.42 -39.52 92.21 Favored 'General case' 0 C--O 1.249 1.029 0 O-C-N 120.141 -1.599 . . . . 38.810000000000002 108.775 177.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.4 mt -65.58 -38.16 88.74 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-O 118.332 -0.842 . . . . 26.969999999999999 111.108 176.073 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.4 p -67.26 -36.49 81.72 Favored 'General case' 0 C--O 1.25 1.105 0 CA-C-N 120.048 1.294 . . . . 19.469999999999999 110.762 178.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 37.2 t -62.15 -45.73 98.07 Favored 'Isoleucine or valine' 0 C--O 1.252 1.194 0 CA-C-N 119.79 1.177 . . . . 21.359999999999999 107.909 177.02 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 72.8 t90 -58.78 -43.87 90.54 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.34 -0.615 . . . . 27.219999999999999 109.34 179.234 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.19 -39.9 97.53 Favored Glycine 0 C--O 1.241 0.55 0 C-N-CA 119.859 -1.162 . . . . 18.219999999999999 113.365 -179.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 70.1 mt -64.86 -43.42 96.35 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 CA-C-N 120.393 2.097 . . . . 20.300000000000001 110.654 175.279 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -64.09 -40.57 96.51 Favored 'General case' 0 C--O 1.267 2.014 0 N-CA-C 107.619 -1.252 . . . . 34.43 107.619 -179.411 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 32.0 tp60 -66.8 -46.75 74.24 Favored 'General case' 0 C--O 1.261 1.694 0 O-C-N 121.61 -0.682 . . . . 28.43 110.833 -177.42 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 57.6 mt -57.34 -48.49 78.85 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 122.931 0.492 . . . . 28.940000000000001 112.056 176.087 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -59.22 -45.05 92.16 Favored 'General case' 0 C--O 1.25 1.088 0 O-C-N 121.532 -0.73 . . . . 28.640000000000001 109.544 -179.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.66 -37.92 70.73 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 112.091 0.404 . . . . 33.630000000000003 112.091 -173.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -76.8 -5.47 48.36 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 119.663 -0.815 . . . . 53.020000000000003 109.721 -175.285 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -110.31 -39.76 3.91 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 N-CA-C 115.788 1.773 . . . . 46.490000000000002 115.788 177.74 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.9 mt -60.77 -90.28 0.0 OUTLIER 'General case' 0 C--O 1.239 0.547 0 N-CA-C 113.245 0.831 . . . . 48.600000000000001 113.245 -179.042 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.033 0 O-C-N 128.705 3.753 . . . . 48.310000000000002 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.038 . . . . . . . . 37.159999999999997 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 1' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 2' ' ' GLY . . . . . . . . . . . . . . . -58.07 131.88 52.27 Favored Glycine 0 CA--C 1.52 0.353 0 N-CA-C 113.863 0.305 . . . . 37.780000000000001 113.863 179.02 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 3' ' ' DHI . . . . . 0.702 ' HB2' ' O ' ' H' ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 5' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 6' ' ' DAS . . . . . 0.414 ' OD2' ' O ' ' H' ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 7' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 9' ' ' DGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 10' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 11' ' ' DGN . . . . . . . . . . . . 2.425 . . . . . . . 0 C--O 1.208 -1.113 0 CA-C-O 117.222 -1.37 . . . . 30.5 111.451 -178.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 12' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 13' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 14' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 15' ' ' DGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 16' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.157 2 O-C-N 115.199 -4.688 . . . . 30.449999999999999 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' HOH . . . . . 0.804 ' O ' ' OE1' ' A' ' 10' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' HOH . . . . . 0.803 ' O ' ' OE1' ' A' ' 20' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 21' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 22' ' ' HOH . . . . . 0.414 ' O ' ' OD2' ' H' ' 6' ' ' DAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 31' ' ' HOH . . . . . 0.702 ' O ' ' HB2' ' H' ' 3' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_