data_1gcl_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 1gcl _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 1.249 1.054 . . . . . . . . 99.99 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.263 1.9 mmm-85 -56.91 -12.48 2.01 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 124.731 1.212 . . . . 99.99 112.98 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -91.44 -16.21 27.67 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.222 1.409 . . . . 51.02 114.432 176.738 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -82.69 -28.76 30.37 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 105.836 -1.913 . . . . 96.73 105.836 175.309 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -52.15 -66.43 0.39 Allowed 'General case' 0 C--N 1.363 1.167 0 O-C-N 125.162 1.539 . . . . 96.9 106.965 175.298 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 49.3 mt -38.31 -50.36 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.686 0 N-CA-C 115.25 1.574 . . . . 85.04 115.25 175.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -66.45 -47.65 72.48 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.847 0.832 . . . . 99.99 112.278 -176.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ASP . . . . . 0.557 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 1.4 m-20 -65.24 1.83 0.96 Allowed 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 114.253 1.205 . . . . 99.99 114.253 178.259 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -105.29 -42.33 5.29 Favored 'General case' 0 N--CA 1.426 -1.654 0 N-CA-C 105.165 -2.161 . . . . 96.48 105.165 175.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.9 mt -58.23 -27.12 63.66 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 118.777 -1.169 . . . . 58.09 111.028 178.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -72.66 -47.62 45.95 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 114.817 -1.083 . . . . 99.99 110.968 177.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . 0.258 57.2 tt0 -66.43 -23.2 66.26 Favored 'General case' 0 C--N 1.383 2.056 0 N-CA-C 109.094 -0.706 . . . . 56.02 109.094 176.876 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.4 mt -75.71 -50.44 23.43 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.256 0 N-CA-C 103.85 -2.648 . . . . 53.22 103.85 173.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . 0.268 1.3 mt -47.17 -48.32 23.6 Favored 'General case' 0 N--CA 1.436 -1.133 0 N-CA-C 114.593 1.331 . . . . 93.22 114.593 -175.083 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 74.6 m -65.57 -34.14 77.56 Favored 'General case' 0 C--O 1.244 0.788 0 CA-C-N 111.73 -2.486 . . . . 93.18 113.879 178.191 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -77.87 -19.81 54.14 Favored 'General case' 0 N--CA 1.432 -1.365 0 C-N-CA 116.02 -2.272 . . . . 54.22 109.261 -179.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . 0.479 ' O ' ' OE1' ' A' ' 20' ' ' GLU . 10.6 mt -77.81 -22.34 50.17 Favored 'General case' 0 N--CA 1.417 -2.08 0 C-N-CA 116.509 -2.077 . . . . 61.99 106.517 174.489 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -66.57 -46.47 75.89 Favored 'General case' 0 CA--C 1.561 1.38 0 O-C-N 119.747 -1.845 . . . . 98.42 114.406 175.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -70.83 -33.71 70.95 Favored 'General case' 0 C--O 1.25 1.085 0 CA-C-O 123.868 1.794 . . . . 71.42 109.831 -175.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.4 mt -59.19 -40.51 81.28 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.371 0 CA-C-N 113.829 -1.532 . . . . 58.74 111.563 178.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . 0.479 ' OE1' ' O ' ' A' ' 16' ' ' LEU . 0.7 OUTLIER -57.53 -34.34 69.04 Favored 'General case' 0 N--CA 1.436 -1.126 0 O-C-N 124.805 1.316 . . . . 99.99 112.578 179.882 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -75.55 -51.27 13.3 Favored 'General case' 0 C--O 1.223 -0.334 0 O-C-N 125.862 1.976 . . . . 97.26 112.358 -178.343 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -46.09 -47.89 17.17 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-O 121.795 0.807 . . . . 97.27 111.247 175.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.7 mt -71.37 -22.11 61.93 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 118.216 2.673 . . . . 50.43 118.216 -178.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.26 -21.62 27.28 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 123.898 0.749 . . . . 36.66 109.222 179.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -78.87 -46.67 18.06 Favored 'General case' 0 C--O 1.25 1.109 0 O-C-N 126.067 2.104 . . . . 99.99 108.546 172.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.3 mt -64.3 -32.97 59.7 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.157 0 N-CA-C 106.042 -1.836 . . . . 97.73 106.042 177.634 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -65.83 -48.69 70.81 Favored 'General case' 0 N--CA 1.386 -3.661 0 CA-C-N 113.061 -1.881 . . . . 45.29 109.766 -178.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -70.95 -35.56 72.23 Favored 'General case' 0 CA--C 1.489 -1.372 0 C-N-CA 117.438 -1.705 . . . . 96.76 114.818 -178.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.3 mt -55.32 -11.52 0.81 Allowed 'General case' 0 C--N 1.347 0.461 0 O-C-N 126.503 2.377 . . . . 98.08 115.345 -174.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 mt -133.11 55.32 1.91 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 127.088 2.155 . . . . 71.62 109.079 177.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.599 0 C-N-CA 116.616 -2.706 . . . . 96.81 110.027 -179.869 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.151 . . . . . . . . 61.11 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ARG . . . . . 0.447 ' NH1' ' CB ' ' C' ' 2' ' ' MET . 2.1 mtm180 -5.4 -53.26 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 129.596 3.158 . . . . 97.84 113.498 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 44.9 mmm -39.0 -61.91 0.69 Allowed 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 116.389 1.996 . . . . 62.97 116.389 176.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -61.33 -46.05 91.88 Favored 'General case' 0 C--O 1.203 -1.343 0 O-C-N 119.194 -2.191 . . . . 50.33 109.557 -179.759 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -54.98 -37.56 66.68 Favored 'General case' 0 C--N 1.315 -0.914 0 C-N-CA 126.77 2.028 . . . . 99.99 115.655 -177.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 6.0 mt -71.36 -46.23 65.65 Favored 'Isoleucine or valine' 0 CA--C 1.473 -1.986 0 CA-C-O 121.786 0.803 . . . . 82.81 110.849 179.747 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.93 34.39 0.67 Allowed 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 109.918 -3.31 . . . . 98.7 111.533 176.315 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.97 -23.94 6.23 Favored 'General case' 0 CA--C 1.506 -0.719 0 N-CA-C 105.431 -2.063 . . . . 97.16 105.431 171.599 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -96.43 -43.93 7.42 Favored 'General case' 0 C--O 1.222 -0.393 0 O-C-N 127.601 3.063 . . . . 70.53 113.152 -179.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 33.7 mt -53.41 -49.61 66.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.717 0.77 . . . . 98.04 110.251 -179.076 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -72.68 -0.73 13.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.461 -0.791 . . . . 99.99 112.926 179.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -96.41 -26.35 15.36 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 123.703 1.716 . . . . 96.41 109.91 172.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 66.3 mt -80.42 -33.32 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.103 0 CA-C-N 111.812 -2.449 . . . . 39.33 105.902 172.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 83.7 mt -59.41 -65.46 0.67 Allowed 'General case' 0 C--O 1.247 0.921 0 CA-C-O 126.653 3.121 . . . . 99.99 109.858 178.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 27.0 m -39.06 -51.61 1.85 Allowed 'General case' 0 C--N 1.287 -2.139 0 CA-C-N 109.886 -3.324 . . . . 74.65 110.904 174.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -35.05 79.91 Favored 'General case' 0 C--O 1.202 -1.443 0 C-N-CA 125.604 1.562 . . . . 99.99 114.902 -179.993 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 10.9 mt -67.93 -35.48 78.51 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 123.4 1.571 . . . . 73.46 108.682 176.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.9 m-30 -55.64 -60.89 2.81 Favored 'General case' 0 N--CA 1.431 -1.391 0 CA-C-O 113.349 -3.215 . . . . 97.78 106.895 177.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . 0.297 0.5 OUTLIER -62.73 -34.86 78.04 Favored 'General case' 0 N--CA 1.513 2.709 0 N-CA-C 118.953 2.945 . . . . 97.03 118.953 178.87 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 15.3 mt -66.3 -36.91 78.52 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.584 0 N-CA-C 104.409 -2.441 . . . . 62.33 104.409 177.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -67.0 -41.16 87.21 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-O 122.587 1.184 . . . . 64.29 112.004 179.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -60.81 -49.95 75.42 Favored 'General case' 0 C--N 1.292 -1.918 0 CA-C-N 113.49 -1.686 . . . . 81.02 107.074 178.339 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -54.55 -27.37 38.15 Favored 'General case' 0 C--O 1.247 0.953 0 C-N-CA 125.664 1.586 . . . . 99.99 113.541 179.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 3.7 mt -86.02 -25.77 25.77 Favored 'General case' 0 CA--C 1.494 -1.187 0 C-N-CA 117.362 -1.735 . . . . 80.68 112.678 -179.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.1 -49.43 63.61 Favored 'General case' 0 C--O 1.257 1.456 0 CA-C-O 122.824 1.297 . . . . 71.39 108.614 174.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.43 -53.48 56.91 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 112.675 -2.057 . . . . 96.92 111.416 -179.677 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 82.9 mt -54.65 -23.74 12.05 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.52 0 CA-C-N 114.253 -1.339 . . . . 82.53 110.591 -176.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 18.6 mtpt -73.7 -73.38 0.22 Allowed 'General case' 0 C--O 1.245 0.83 0 O-C-N 126.06 2.1 . . . . 99.99 108.004 178.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . 0.456 33.5 mttp -40.82 -44.02 2.16 Favored 'General case' 0 N--CA 1.419 -1.995 0 O-C-N 125.697 1.873 . . . . 99.99 114.415 177.68 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . 0.301 0.4 OUTLIER -56.56 -65.19 0.65 Allowed 'General case' 0 C--O 1.251 1.153 0 CA-C-N 119.83 1.195 . . . . 31.73 109.335 173.243 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.27 -18.3 2.32 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 111.746 -2.479 . . . . 83.79 115.589 -173.666 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.262 1.889 0 N-CA-C 110.027 -1.229 . . . . 64.56 110.027 -179.165 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 0' ' ' ACE . . . . . 0.476 ' O ' ' N ' ' C' ' 3' ' ' LYS . . . . . . . . 0 C--O 1.231 0.086 . . . . . . . . 53.39 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' ARG . . . . . 0.501 ' NH1' ' SD ' ' D' ' 2' ' ' MET . 2.4 ttm180 -20.56 -53.89 0.02 OUTLIER 'General case' 0 C--O 1.185 -2.294 1 C-N-CA 134.716 5.207 . . . . 99.99 110.88 . . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' MET . . . . . 0.447 ' CB ' ' NH1' ' B' ' 1' ' ' ARG . 83.6 mmm -69.5 -44.85 70.25 Favored 'General case' 0 C--N 1.306 -1.288 0 C-N-CA 126.796 2.039 . . . . 51.2 113.931 178.215 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' C' ' 0' ' ' ACE . 2.1 tttp -67.72 -28.79 67.95 Favored 'General case' 0 C--O 1.185 -2.304 0 N-CA-C 106.157 -1.794 . . . . 64.5 106.157 175.311 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.97 -32.7 63.57 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 124.161 1.934 . . . . 96.03 107.179 -179.624 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' ILE . . . . . . . . . . . . . 1.2 mt -65.89 -50.15 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.012 0 C-N-CA 125.735 1.614 . . . . 84.88 112.713 176.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -70.43 -19.08 63.01 Favored 'General case' 0 C--N 1.357 0.933 0 O-C-N 125.569 1.793 . . . . 67.86 111.188 -179.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -75.79 -47.31 26.28 Favored 'General case' 0 C--N 1.363 1.185 0 CA-C-O 122.941 1.353 . . . . 96.16 110.053 -179.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -59.13 -36.54 75.39 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 115.425 -0.807 . . . . 99.99 111.509 178.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 12.0 mt -68.03 -24.74 65.13 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 124.9 1.375 . . . . 62.75 111.86 176.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -78.36 -30.67 48.11 Favored 'General case' 0 CA--C 1.484 -1.573 0 N-CA-C 106.457 -1.683 . . . . 99.99 106.457 176.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -56.97 13.66 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 125.722 1.889 . . . . 99.99 111.117 172.948 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 62.4 mt -58.34 -32.94 46.25 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.332 0 CA-C-N 114.665 -1.152 . . . . 54.92 110.051 -179.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.84 -17.07 62.16 Favored 'General case' 0 N--CA 1.435 -1.186 0 N-CA-C 115.155 1.539 . . . . 62.79 115.155 -177.306 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' SER . . . . . . . . . . . . . 64.6 m -92.69 -40.63 10.61 Favored 'General case' 0 C--O 1.274 2.378 0 O-C-N 120.095 -1.628 . . . . 96.39 113.16 -178.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' LYS . . . . . 0.522 ' NZ ' ' CD1' ' D' ' 17' ' ' TYR . 8.1 mtmt -60.3 -36.17 77.26 Favored 'General case' 0 C--N 1.381 1.968 0 CA-C-O 126.408 3.004 . . . . 59.03 107.091 176.101 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 60.7 mt -67.85 -24.74 65.29 Favored 'General case' 0 N--CA 1.398 -3.047 0 CA-C-N 112.18 -2.282 . . . . 75.37 109.353 179.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' TYR . . . . . . . . . . . . 0.314 3.2 m-85 -75.72 -27.27 58.1 Favored 'General case' 0 CA--C 1.46 -2.507 0 O-C-N 126.355 2.284 . . . . 79.78 112.564 178.736 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -77.6 -35.63 52.66 Favored 'General case' 0 N--CA 1.432 -1.349 0 O-C-N 126.881 2.613 . . . . 91.25 113.616 178.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 20.8 mt -66.39 -23.1 31.06 Favored 'Isoleucine or valine' 0 C--O 1.244 0.774 0 N-CA-C 113.364 0.876 . . . . 97.38 113.364 -178.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -86.8 -20.64 27.28 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-O 123.129 1.442 . . . . 92.9 109.534 179.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' ASN . . . . . 0.652 ' ND2' ' O ' ' C' ' 49' ' ' HOH 0.253 0.3 OUTLIER -67.92 -41.19 82.98 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 104.183 -2.525 . . . . 96.62 104.183 176.642 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . 0.317 5.5 mt-10 -77.0 -30.11 55.77 Favored 'General case' 0 C--O 1.263 1.764 0 N-CA-C 117.716 2.487 . . . . 32.67 117.716 -177.555 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 61.1 mt -79.6 0.38 30.27 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-O 124.432 2.063 . . . . 34.53 105.583 173.164 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.82 -32.68 15.98 Favored 'General case' 0 N--CA 1.412 -2.326 0 N-CA-C 106.16 -1.793 . . . . 97.98 106.16 177.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 25' ' ' ARG . . . . . 0.531 ' O ' ' N ' ' C' ' 28' ' ' LYS . 75.4 ttt180 -73.49 -54.09 9.06 Favored 'General case' 0 C--N 1.369 1.451 0 C-N-CA 118.311 -1.356 . . . . 74.66 109.958 176.275 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 4.4 mt -34.95 -45.54 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 126.543 1.937 . . . . 80.37 112.252 177.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -62.36 -35.39 79.0 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 123.794 1.759 . . . . 95.32 110.547 178.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 28' ' ' LYS . . . . . 0.531 ' N ' ' O ' ' C' ' 25' ' ' ARG . 16.9 mtmm -68.19 -59.27 3.34 Favored 'General case' 0 N--CA 1.422 -1.852 0 CA-C-O 125.494 2.569 . . . . 99.99 105.127 175.62 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 16.7 mt -50.13 -19.04 0.66 Allowed 'General case' 0 N--CA 1.429 -1.477 0 CA-C-N 112.981 -1.918 . . . . 82.97 115.608 -175.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 7.0 mt -114.72 9.35 16.38 Favored 'General case' 0 CA--C 1.491 -1.306 0 O-C-N 124.77 1.293 . . . . 96.6 112.869 -173.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.198 0 O-C-N 124.379 1.049 . . . . 96.17 114.376 179.726 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.595 . . . . . . . . 99.99 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.67 -28.28 0.18 Allowed 'General case' 0 CA--C 1.562 1.432 0 O-C-N 127.263 2.852 . . . . 99.99 118.065 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 2' ' ' MET . . . . . 0.501 ' SD ' ' NH1' ' C' ' 1' ' ' ARG . 24.8 ttm -115.42 -23.95 8.61 Favored 'General case' 0 C--N 1.38 1.914 0 N-CA-C 121.717 3.969 . . . . 87.33 121.717 -170.678 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.89 -25.96 67.41 Favored 'General case' 0 C--O 1.251 1.155 0 O-C-N 117.816 -3.052 . . . . 83.93 107.485 175.825 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -57.18 -47.19 81.86 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 112.333 -2.212 . . . . 90.0 107.625 178.724 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 5' ' ' ILE . . . . . . . . . . . . 0.304 3.9 mt -52.32 -43.37 40.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 117.648 2.462 . . . . 96.14 117.648 178.203 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -88.8 -9.1 53.0 Favored 'General case' 0 N--CA 1.427 -1.584 0 O-C-N 121.665 -0.647 . . . . 99.99 110.21 -177.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.02 -31.49 20.53 Favored 'General case' 0 CA--C 1.51 -0.573 0 O-C-N 126.449 2.343 . . . . 65.53 110.839 179.283 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -78.67 -30.83 46.45 Favored 'General case' 0 N--CA 1.423 -1.785 0 C-N-CA 117.258 -1.777 . . . . 99.99 107.825 173.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 74.1 mt -62.96 -56.0 20.93 Favored 'General case' 0 C--N 1.373 1.599 0 C-N-CA 127.599 2.36 . . . . 97.4 112.879 -179.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -51.39 -30.65 19.7 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.571 -1.33 . . . . 99.99 109.907 173.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -76.21 -37.29 57.94 Favored 'General case' 0 C--N 1.368 1.388 0 C-N-CA 127.711 2.405 . . . . 67.03 112.054 178.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 23.6 mt -71.36 -30.29 39.1 Favored 'Isoleucine or valine' 0 C--O 1.258 1.516 0 CA-C-O 124.172 1.939 . . . . 61.93 108.002 176.324 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 30.3 mt -60.72 -68.3 0.32 Allowed 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 112.122 -2.308 . . . . 97.57 109.391 175.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 14' ' ' SER . . . . . . . . . . . . . 35.5 m -40.95 -44.0 2.23 Favored 'General case' 0 C--O 1.185 -2.293 0 CA-C-O 116.131 -1.89 . . . . 88.37 114.643 178.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 4.8 mptt -54.69 -62.64 1.52 Allowed 'General case' 0 C--O 1.267 2.019 0 O-C-N 125.122 1.513 . . . . 83.74 111.748 175.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 8.6 mt -54.47 -23.45 16.22 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-N 113.556 -1.657 . . . . 97.06 110.451 -179.453 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 17' ' ' TYR . . . . . 0.522 ' CD1' ' NZ ' ' C' ' 15' ' ' LYS . 5.7 m-30 -74.33 -43.44 56.66 Favored 'General case' 0 C--N 1.361 1.082 0 N-CA-C 105.25 -2.13 . . . . 99.24 105.25 176.894 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 18' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -54.07 -57.71 10.07 Favored 'General case' 0 C--O 1.209 -1.038 0 O-C-N 121.408 -0.807 . . . . 70.77 110.078 175.062 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 19' ' ' ILE . . . . . . . . . . . . . 56.8 mt -49.42 -48.11 19.4 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 C-N-CA 124.046 0.938 . . . . 97.58 109.381 179.105 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 20' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -36.77 -63.02 0.44 Allowed 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 126.685 1.994 . . . . 98.07 111.966 179.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 21' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -71.95 -26.59 62.34 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-N 113.133 -1.849 . . . . 67.78 114.678 -178.438 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -61.99 -39.72 93.17 Favored 'General case' 0 C--O 1.275 2.397 0 O-C-N 120.438 -1.414 . . . . 98.21 110.576 178.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 58.6 mt -70.22 -38.16 75.17 Favored 'General case' 0 N--CA 1.418 -2.031 0 CA-C-N 111.655 -2.52 . . . . 76.0 106.55 177.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.99 -50.87 71.39 Favored 'General case' 0 CA--C 1.503 -0.86 0 CA-C-O 124.483 2.087 . . . . 39.8 109.166 179.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . 0.267 4.6 ttt85 -55.84 -55.16 35.77 Favored 'General case' 0 N--CA 1.422 -1.836 0 CA-C-N 110.11 -3.223 . . . . 74.24 109.076 175.086 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 26' ' ' ILE . . . . . . . . . . . . 0.261 96.2 mt -54.84 -38.5 44.59 Favored 'Isoleucine or valine' 0 C--N 1.359 1.015 0 C-N-CA 116.556 -2.058 . . . . 32.27 114.145 -179.748 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -60.42 -47.03 87.86 Favored 'General case' 0 CA--C 1.502 -0.897 0 C-N-CA 123.187 0.595 . . . . 90.04 110.374 179.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -59.67 -52.82 63.87 Favored 'General case' 0 CA--C 1.488 -1.441 0 CA-C-N 113.656 -1.611 . . . . 99.99 111.778 178.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 29' ' ' LEU . . . . . . . . . . . . . 62.9 mt -46.04 -44.43 15.27 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 125.967 2.042 . . . . 85.29 108.334 178.377 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 38.3 mt -83.69 -13.83 53.17 Favored 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 117.242 2.312 . . . . 96.81 117.242 177.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.095 0 O-C-N 117.879 -3.013 . . . . 96.72 109.769 179.872 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 ' B' B ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 49' ' ' HOH . . . . . 0.652 ' O ' ' ND2' ' C' ' 21' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 . . . . . . . . 99.99 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.263 1.9 mmm-85 -56.91 -12.48 2.01 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 124.731 1.212 . . . . 99.99 112.98 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -91.44 -16.21 27.67 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.222 1.409 . . . . 51.02 114.432 176.738 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -82.69 -28.76 30.37 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 105.836 -1.913 . . . . 96.73 105.836 175.309 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLN . . . . . 0.681 ' NE2' ' O ' ' A' ' 35' ' ' HOH . 33.6 tt0 -52.15 -66.43 0.39 Allowed 'General case' 0 C--N 1.363 1.167 0 O-C-N 125.162 1.539 . . . . 96.9 106.965 175.298 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 49.3 mt -38.31 -50.36 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.686 0 N-CA-C 115.25 1.574 . . . . 85.04 115.25 175.768 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -66.45 -47.65 72.48 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.847 0.832 . . . . 99.99 112.278 -176.596 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ASP . . . . . 0.557 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 1.4 m-20 -65.24 1.83 0.96 Allowed 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 114.253 1.205 . . . . 99.99 114.253 178.259 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -105.29 -42.33 5.29 Favored 'General case' 0 N--CA 1.426 -1.654 0 N-CA-C 105.165 -2.161 . . . . 96.48 105.165 175.735 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.9 mt -58.23 -27.12 63.66 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 118.777 -1.169 . . . . 58.09 111.028 178.198 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . 0.785 ' HB2' ' NZ ' ' D' ' 8' ' ' LYS . 12.8 tp10 -72.66 -47.62 45.95 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 114.817 -1.083 . . . . 99.99 110.968 177.097 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . 0.258 57.2 tt0 -66.43 -23.2 66.26 Favored 'General case' 0 C--N 1.383 2.056 0 N-CA-C 109.094 -0.706 . . . . 56.02 109.094 176.876 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.4 mt -75.71 -50.44 23.43 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.256 0 N-CA-C 103.85 -2.648 . . . . 53.22 103.85 173.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . 0.52 ' HG ' HG12 ' D' ' 12' ' ' ILE 0.268 1.3 mt -47.17 -48.32 23.6 Favored 'General case' 0 N--CA 1.436 -1.133 0 N-CA-C 114.593 1.331 . . . . 93.22 114.593 -175.083 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 14' ' ' SER . . . . . 0.468 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 74.6 m -65.57 -34.14 77.56 Favored 'General case' 0 C--O 1.244 0.788 0 CA-C-N 111.73 -2.486 . . . . 93.18 113.879 178.191 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . 0.402 ' O ' HD12 ' A' ' 19' ' ' ILE . 22.2 mttm -77.87 -19.81 54.14 Favored 'General case' 0 N--CA 1.432 -1.365 0 C-N-CA 116.02 -2.272 . . . . 54.22 109.261 -179.772 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . 0.479 ' O ' ' OE1' ' A' ' 20' ' ' GLU . 10.6 mt -77.81 -22.34 50.17 Favored 'General case' 0 N--CA 1.417 -2.08 0 C-N-CA 116.509 -2.077 . . . . 61.99 106.517 174.489 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' TYR . . . . . 0.468 ' CD2' ' HA ' ' A' ' 14' ' ' SER . 7.4 m-85 -66.57 -46.47 75.89 Favored 'General case' 0 CA--C 1.561 1.38 0 O-C-N 119.747 -1.845 . . . . 98.42 114.406 175.725 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -70.83 -33.71 70.95 Favored 'General case' 0 C--O 1.25 1.085 0 CA-C-O 123.868 1.794 . . . . 71.42 109.831 -175.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ILE . . . . . 0.402 HD12 ' O ' ' A' ' 15' ' ' LYS . 14.4 mt -59.19 -40.51 81.28 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.371 0 CA-C-N 113.829 -1.532 . . . . 58.74 111.563 178.794 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . 0.564 ' HG2' ' ND1' ' D' ' 18' ' ' HIS . 0.7 OUTLIER -57.53 -34.34 69.04 Favored 'General case' 0 N--CA 1.436 -1.126 0 O-C-N 124.805 1.316 . . . . 99.99 112.578 179.882 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -75.55 -51.27 13.3 Favored 'General case' 0 C--O 1.223 -0.334 0 O-C-N 125.862 1.976 . . . . 97.26 112.358 -178.343 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . 0.643 ' HG2' ' O ' ' B' ' 37' ' ' HOH . 42.5 mt-10 -46.09 -47.89 17.17 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-O 121.795 0.807 . . . . 97.27 111.247 175.616 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . 0.705 ' O ' ' HB2' ' A' ' 27' ' ' LYS . 24.7 mt -71.37 -22.11 61.93 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 118.216 2.673 . . . . 50.43 118.216 -178.069 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.26 -21.62 27.28 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 123.898 0.749 . . . . 36.66 109.222 179.519 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -78.87 -46.67 18.06 Favored 'General case' 0 C--O 1.25 1.109 0 O-C-N 126.067 2.104 . . . . 99.99 108.546 172.42 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.3 mt -64.3 -32.97 59.7 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.157 0 N-CA-C 106.042 -1.836 . . . . 97.73 106.042 177.634 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . 0.713 ' HD3' ' HE ' ' D' ' 25' ' ' ARG . 29.7 ttmt -65.83 -48.69 70.81 Favored 'General case' 0 N--CA 1.386 -3.661 0 CA-C-N 113.061 -1.881 . . . . 45.29 109.766 -178.885 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . 0.669 ' HE2' ' O ' ' A' ' 47' ' ' HOH . 42.2 mtpt -70.95 -35.56 72.23 Favored 'General case' 0 CA--C 1.489 -1.372 0 C-N-CA 117.438 -1.705 . . . . 96.76 114.818 -178.919 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.3 mt -55.32 -11.52 0.81 Allowed 'General case' 0 C--N 1.347 0.461 0 O-C-N 126.503 2.377 . . . . 98.08 115.345 -174.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LEU . . . . . 0.44 HD21 HD21 ' B' ' 30' ' ' LEU . 1.1 mt -133.11 55.32 1.91 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 127.088 2.155 . . . . 71.62 109.079 177.276 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.599 0 C-N-CA 116.616 -2.706 . . . . 96.81 110.027 -179.869 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.151 . . . . . . . . 61.11 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ARG . . . . . 0.89 ' NH1' ' HB2' ' C' ' 2' ' ' MET . 2.1 mtm180 -5.4 -53.26 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 129.596 3.158 . . . . 97.84 113.498 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 2' ' ' MET . . . . . 0.45 ' HE2' ' O ' ' A' ' 34' ' ' HOH . 44.9 mmm -39.0 -61.91 0.69 Allowed 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 116.389 1.996 . . . . 62.97 116.389 176.126 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -61.33 -46.05 91.88 Favored 'General case' 0 C--O 1.203 -1.343 0 O-C-N 119.194 -2.191 . . . . 50.33 109.557 -179.759 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLN . . . . . 0.412 ' O ' ' HG2' ' B' ' 8' ' ' LYS . 67.2 mt-30 -54.98 -37.56 66.68 Favored 'General case' 0 C--N 1.315 -0.914 0 C-N-CA 126.77 2.028 . . . . 99.99 115.655 -177.31 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ILE . . . . . 0.607 HD13 HG22 ' C' ' 5' ' ' ILE . 6.0 mt -71.36 -46.23 65.65 Favored 'Isoleucine or valine' 0 CA--C 1.473 -1.986 0 CA-C-O 121.786 0.803 . . . . 82.81 110.849 179.747 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.93 34.39 0.67 Allowed 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 109.918 -3.31 . . . . 98.7 111.533 176.315 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ASP . . . . . 0.506 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 0.4 OUTLIER -119.97 -23.94 6.23 Favored 'General case' 0 CA--C 1.506 -0.719 0 N-CA-C 105.431 -2.063 . . . . 97.16 105.431 171.599 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' B' ' 4' ' ' GLN . 12.1 mmtt -96.43 -43.93 7.42 Favored 'General case' 0 C--O 1.222 -0.393 0 O-C-N 127.601 3.063 . . . . 70.53 113.152 -179.811 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 33.7 mt -53.41 -49.61 66.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.717 0.77 . . . . 98.04 110.251 -179.076 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLU . . . . . 0.603 ' HB3' ' O ' ' B' ' 34' ' ' HOH . 2.0 tt0 -72.68 -0.73 13.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.461 -0.791 . . . . 99.99 112.926 179.125 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 11' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' B' ' 7' ' ' ASP . 46.1 mm-40 -96.41 -26.35 15.36 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 123.703 1.716 . . . . 96.41 109.91 172.841 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ILE . . . . . 0.493 HG23 ' CD1' ' C' ' 16' ' ' LEU . 66.3 mt -80.42 -33.32 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.103 0 CA-C-N 111.812 -2.449 . . . . 39.33 105.902 172.487 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 13' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' B' ' 10' ' ' GLU . 83.7 mt -59.41 -65.46 0.67 Allowed 'General case' 0 C--O 1.247 0.921 0 CA-C-O 126.653 3.121 . . . . 99.99 109.858 178.261 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 27.0 m -39.06 -51.61 1.85 Allowed 'General case' 0 C--N 1.287 -2.139 0 CA-C-N 109.886 -3.324 . . . . 74.65 110.904 174.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -35.05 79.91 Favored 'General case' 0 C--O 1.202 -1.443 0 C-N-CA 125.604 1.562 . . . . 99.99 114.902 -179.993 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 16' ' ' LEU . . . . . 0.439 ' O ' ' HB2' ' B' ' 20' ' ' GLU . 10.9 mt -67.93 -35.48 78.51 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 123.4 1.571 . . . . 73.46 108.682 176.217 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.9 m-30 -55.64 -60.89 2.81 Favored 'General case' 0 N--CA 1.431 -1.391 0 CA-C-O 113.349 -3.215 . . . . 97.78 106.895 177.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . 0.297 0.5 OUTLIER -62.73 -34.86 78.04 Favored 'General case' 0 N--CA 1.513 2.709 0 N-CA-C 118.953 2.945 . . . . 97.03 118.953 178.87 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 15.3 mt -66.3 -36.91 78.52 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.584 0 N-CA-C 104.409 -2.441 . . . . 62.33 104.409 177.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' B' ' 16' ' ' LEU . 4.5 mt-10 -67.0 -41.16 87.21 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-O 122.587 1.184 . . . . 64.29 112.004 179.657 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -60.81 -49.95 75.42 Favored 'General case' 0 C--N 1.292 -1.918 0 CA-C-N 113.49 -1.686 . . . . 81.02 107.074 178.339 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -54.55 -27.37 38.15 Favored 'General case' 0 C--O 1.247 0.953 0 C-N-CA 125.664 1.586 . . . . 99.99 113.541 179.42 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' LEU . . . . . 0.492 HD23 HD12 ' B' ' 26' ' ' ILE . 3.7 mt -86.02 -25.77 25.77 Favored 'General case' 0 CA--C 1.494 -1.187 0 C-N-CA 117.362 -1.735 . . . . 80.68 112.678 -179.289 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ALA . . . . . 0.624 ' O ' ' HB2' ' B' ' 27' ' ' LYS . . . -52.1 -49.43 63.61 Favored 'General case' 0 C--O 1.257 1.456 0 CA-C-O 122.824 1.297 . . . . 71.39 108.614 174.797 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ARG . . . . . 0.605 ' NH2' ' HB2' ' C' ' 27' ' ' LYS . 0.2 OUTLIER -56.43 -53.48 56.91 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 112.675 -2.057 . . . . 96.92 111.416 -179.677 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ILE . . . . . 0.492 HD12 HD23 ' B' ' 23' ' ' LEU . 82.9 mt -54.65 -23.74 12.05 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.52 0 CA-C-N 114.253 -1.339 . . . . 82.53 110.591 -176.229 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 27' ' ' LYS . . . . . 0.624 ' HB2' ' O ' ' B' ' 24' ' ' ALA . 18.6 mtpt -73.7 -73.38 0.22 Allowed 'General case' 0 C--O 1.245 0.83 0 O-C-N 126.06 2.1 . . . . 99.99 108.004 178.993 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . 0.456 33.5 mttp -40.82 -44.02 2.16 Favored 'General case' 0 N--CA 1.419 -1.995 0 O-C-N 125.697 1.873 . . . . 99.99 114.415 177.68 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LEU . . . . . 0.453 ' N ' HD23 ' B' ' 29' ' ' LEU 0.301 0.4 OUTLIER -56.56 -65.19 0.65 Allowed 'General case' 0 C--O 1.251 1.153 0 CA-C-N 119.83 1.195 . . . . 31.73 109.335 173.243 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 30' ' ' LEU . . . . . 0.44 HD21 HD21 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -53.27 -18.3 2.32 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 111.746 -2.479 . . . . 83.79 115.589 -173.666 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.262 1.889 0 N-CA-C 110.027 -1.229 . . . . 64.56 110.027 -179.165 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 0' ' ' ACE . . . . . 0.476 ' O ' ' N ' ' C' ' 3' ' ' LYS . . . . . . . . 0 C--O 1.231 0.086 . . . . . . . . 53.39 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 1' ' ' ARG . . . . . 0.486 ' HD2' ' SD ' ' D' ' 2' ' ' MET . 2.4 ttm180 -20.56 -53.89 0.02 OUTLIER 'General case' 0 C--O 1.185 -2.294 1 C-N-CA 134.716 5.207 . . . . 99.99 110.88 . . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 2' ' ' MET . . . . . 0.89 ' HB2' ' NH1' ' B' ' 1' ' ' ARG . 83.6 mmm -69.5 -44.85 70.25 Favored 'General case' 0 C--N 1.306 -1.288 0 C-N-CA 126.796 2.039 . . . . 51.2 113.931 178.215 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 3' ' ' LYS . . . . . 0.667 ' HB3' ' O ' ' C' ' 37' ' ' HOH . 2.1 tttp -67.72 -28.79 67.95 Favored 'General case' 0 C--O 1.185 -2.304 0 N-CA-C 106.157 -1.794 . . . . 64.5 106.157 175.311 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.97 -32.7 63.57 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 124.161 1.934 . . . . 96.03 107.179 -179.624 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 5' ' ' ILE . . . . . 0.607 HG22 HD13 ' B' ' 5' ' ' ILE . 1.2 mt -65.89 -50.15 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.012 0 C-N-CA 125.735 1.614 . . . . 84.88 112.713 176.811 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -70.43 -19.08 63.01 Favored 'General case' 0 C--N 1.357 0.933 0 O-C-N 125.569 1.793 . . . . 67.86 111.188 -179.736 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -75.79 -47.31 26.28 Favored 'General case' 0 C--N 1.363 1.185 0 CA-C-O 122.941 1.353 . . . . 96.16 110.053 -179.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -59.13 -36.54 75.39 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 115.425 -0.807 . . . . 99.99 111.509 178.216 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 12.0 mt -68.03 -24.74 65.13 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 124.9 1.375 . . . . 62.75 111.86 176.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 10' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' B' ' 45' ' ' HOH . 9.3 mt-10 -78.36 -30.67 48.11 Favored 'General case' 0 CA--C 1.484 -1.573 0 N-CA-C 106.457 -1.683 . . . . 99.99 106.457 176.737 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -56.97 13.66 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 125.722 1.889 . . . . 99.99 111.117 172.948 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 62.4 mt -58.34 -32.94 46.25 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.332 0 CA-C-N 114.665 -1.152 . . . . 54.92 110.051 -179.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 13' ' ' LEU . . . . . 0.74 ' O ' HD12 ' C' ' 13' ' ' LEU . 0.2 OUTLIER -71.84 -17.07 62.16 Favored 'General case' 0 N--CA 1.435 -1.186 0 N-CA-C 115.155 1.539 . . . . 62.79 115.155 -177.306 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 14' ' ' SER . . . . . . . . . . . . . 64.6 m -92.69 -40.63 10.61 Favored 'General case' 0 C--O 1.274 2.378 0 O-C-N 120.095 -1.628 . . . . 96.39 113.16 -178.008 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 15' ' ' LYS . . . . . 0.522 ' NZ ' ' CD1' ' D' ' 17' ' ' TYR . 8.1 mtmt -60.3 -36.17 77.26 Favored 'General case' 0 C--N 1.381 1.968 0 CA-C-O 126.408 3.004 . . . . 59.03 107.091 176.101 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 16' ' ' LEU . . . . . 0.493 ' CD1' HG23 ' B' ' 12' ' ' ILE . 60.7 mt -67.85 -24.74 65.29 Favored 'General case' 0 N--CA 1.398 -3.047 0 CA-C-N 112.18 -2.282 . . . . 75.37 109.353 179.353 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 17' ' ' TYR . . . . . . . . . . . . 0.314 3.2 m-85 -75.72 -27.27 58.1 Favored 'General case' 0 CA--C 1.46 -2.507 0 O-C-N 126.355 2.284 . . . . 79.78 112.564 178.736 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 18' ' ' HIS . . . . . 0.602 ' O ' ' HG3' ' C' ' 22' ' ' GLU . 18.2 t60 -77.6 -35.63 52.66 Favored 'General case' 0 N--CA 1.432 -1.349 0 O-C-N 126.881 2.613 . . . . 91.25 113.616 178.153 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 19' ' ' ILE . . . . . 0.723 HG23 HD11 ' D' ' 23' ' ' LEU . 20.8 mt -66.39 -23.1 31.06 Favored 'Isoleucine or valine' 0 C--O 1.244 0.774 0 N-CA-C 113.364 0.876 . . . . 97.38 113.364 -178.504 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -86.8 -20.64 27.28 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-O 123.129 1.442 . . . . 92.9 109.534 179.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 21' ' ' ASN . . . . . 0.672 ' O ' ' HB3' ' C' ' 24' ' ' ALA 0.253 0.3 OUTLIER -67.92 -41.19 82.98 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 104.183 -2.525 . . . . 96.62 104.183 176.642 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' C' C ' 22' ' ' GLU . . . . . 0.602 ' HG3' ' O ' ' C' ' 18' ' ' HIS 0.317 5.5 mt-10 -77.0 -30.11 55.77 Favored 'General case' 0 C--O 1.263 1.764 0 N-CA-C 117.716 2.487 . . . . 32.67 117.716 -177.555 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 23' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' C' ' 19' ' ' ILE . 61.1 mt -79.6 0.38 30.27 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-O 124.432 2.063 . . . . 34.53 105.583 173.164 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 24' ' ' ALA . . . . . 0.672 ' HB3' ' O ' ' C' ' 21' ' ' ASN . . . -90.82 -32.68 15.98 Favored 'General case' 0 N--CA 1.412 -2.326 0 N-CA-C 106.16 -1.793 . . . . 97.98 106.16 177.372 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 25' ' ' ARG . . . . . 0.548 ' O ' ' HB2' ' C' ' 28' ' ' LYS . 75.4 ttt180 -73.49 -54.09 9.06 Favored 'General case' 0 C--N 1.369 1.451 0 C-N-CA 118.311 -1.356 . . . . 74.66 109.958 176.275 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 4.4 mt -34.95 -45.54 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 126.543 1.937 . . . . 80.37 112.252 177.61 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 27' ' ' LYS . . . . . 0.605 ' HB2' ' NH2' ' B' ' 25' ' ' ARG . 1.1 tmtp? -62.36 -35.39 79.0 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 123.794 1.759 . . . . 95.32 110.547 178.21 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 28' ' ' LYS . . . . . 0.548 ' HB2' ' O ' ' C' ' 25' ' ' ARG . 16.9 mtmm -68.19 -59.27 3.34 Favored 'General case' 0 N--CA 1.422 -1.852 0 CA-C-O 125.494 2.569 . . . . 99.99 105.127 175.62 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 29' ' ' LEU . . . . . 0.416 ' CD1' ' HG2' ' C' ' 25' ' ' ARG . 16.7 mt -50.13 -19.04 0.66 Allowed 'General case' 0 N--CA 1.429 -1.477 0 CA-C-N 112.981 -1.918 . . . . 82.97 115.608 -175.575 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 7.0 mt -114.72 9.35 16.38 Favored 'General case' 0 CA--C 1.491 -1.306 0 O-C-N 124.77 1.293 . . . . 96.6 112.869 -173.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.198 0 O-C-N 124.379 1.049 . . . . 96.17 114.376 179.726 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.595 . . . . . . . . 99.99 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 1' ' ' ARG . . . . . 0.443 ' HA ' ' HE ' ' D' ' 1' ' ' ARG . 0.1 OUTLIER -151.67 -28.28 0.18 Allowed 'General case' 0 CA--C 1.562 1.432 0 O-C-N 127.263 2.852 . . . . 99.99 118.065 . . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 2' ' ' MET . . . . . 0.486 ' SD ' ' HD2' ' C' ' 1' ' ' ARG . 24.8 ttm -115.42 -23.95 8.61 Favored 'General case' 0 C--N 1.38 1.914 0 N-CA-C 121.717 3.969 . . . . 87.33 121.717 -170.678 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.89 -25.96 67.41 Favored 'General case' 0 C--O 1.251 1.155 0 O-C-N 117.816 -3.052 . . . . 83.93 107.485 175.825 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -57.18 -47.19 81.86 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 112.333 -2.212 . . . . 90.0 107.625 178.724 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 5' ' ' ILE . . . . . 0.444 ' O ' ' HG ' ' D' ' 9' ' ' LEU 0.304 3.9 mt -52.32 -43.37 40.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 117.648 2.462 . . . . 96.14 117.648 178.203 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 6' ' ' GLU . . . . . 0.444 ' OE1' HG12 ' C' ' 5' ' ' ILE . 9.1 tp10 -88.8 -9.1 53.0 Favored 'General case' 0 N--CA 1.427 -1.584 0 O-C-N 121.665 -0.647 . . . . 99.99 110.21 -177.61 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 7' ' ' ASP . . . . . 0.436 ' HB3' ' O ' ' D' ' 39' ' ' HOH . 0.5 OUTLIER -87.02 -31.49 20.53 Favored 'General case' 0 CA--C 1.51 -0.573 0 O-C-N 126.449 2.343 . . . . 65.53 110.839 179.283 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 8' ' ' LYS . . . . . 0.785 ' NZ ' ' HB2' ' A' ' 10' ' ' GLU . 13.2 mttt -78.67 -30.83 46.45 Favored 'General case' 0 N--CA 1.423 -1.785 0 C-N-CA 117.258 -1.777 . . . . 99.99 107.825 173.733 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 9' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' D' ' 5' ' ' ILE . 74.1 mt -62.96 -56.0 20.93 Favored 'General case' 0 C--N 1.373 1.599 0 C-N-CA 127.599 2.36 . . . . 97.4 112.879 -179.41 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 10' ' ' GLU . . . . . 1.137 ' HA ' HD12 ' D' ' 13' ' ' LEU . 4.9 mm-40 -51.39 -30.65 19.7 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.571 -1.33 . . . . 99.99 109.907 173.798 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 11' ' ' GLU . . . . . 0.687 ' HB3' ' O ' ' D' ' 8' ' ' LYS . 30.9 tt0 -76.21 -37.29 57.94 Favored 'General case' 0 C--N 1.368 1.388 0 C-N-CA 127.711 2.405 . . . . 67.03 112.054 178.323 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 12' ' ' ILE . . . . . 0.52 HG12 ' HG ' ' A' ' 13' ' ' LEU . 23.6 mt -71.36 -30.29 39.1 Favored 'Isoleucine or valine' 0 C--O 1.258 1.516 0 CA-C-O 124.172 1.939 . . . . 61.93 108.002 176.324 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 13' ' ' LEU . . . . . 1.137 HD12 ' HA ' ' D' ' 10' ' ' GLU . 30.3 mt -60.72 -68.3 0.32 Allowed 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 112.122 -2.308 . . . . 97.57 109.391 175.347 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 14' ' ' SER . . . . . . . . . . . . . 35.5 m -40.95 -44.0 2.23 Favored 'General case' 0 C--O 1.185 -2.293 0 CA-C-O 116.131 -1.89 . . . . 88.37 114.643 178.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 15' ' ' LYS . . . . . 0.451 ' O ' ' HB3' ' D' ' 18' ' ' HIS . 4.8 mptt -54.69 -62.64 1.52 Allowed 'General case' 0 C--O 1.267 2.019 0 O-C-N 125.122 1.513 . . . . 83.74 111.748 175.713 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 16' ' ' LEU . . . . . 0.544 HD23 HD12 ' D' ' 19' ' ' ILE . 8.6 mt -54.47 -23.45 16.22 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-N 113.556 -1.657 . . . . 97.06 110.451 -179.453 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 17' ' ' TYR . . . . . 0.786 ' O ' ' HB2' ' D' ' 20' ' ' GLU . 5.7 m-30 -74.33 -43.44 56.66 Favored 'General case' 0 C--N 1.361 1.082 0 N-CA-C 105.25 -2.13 . . . . 99.24 105.25 176.894 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 18' ' ' HIS . . . . . 0.564 ' ND1' ' HG2' ' A' ' 20' ' ' GLU . 17.9 t-80 -54.07 -57.71 10.07 Favored 'General case' 0 C--O 1.209 -1.038 0 O-C-N 121.408 -0.807 . . . . 70.77 110.078 175.062 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 19' ' ' ILE . . . . . 0.544 HD12 HD23 ' D' ' 16' ' ' LEU . 56.8 mt -49.42 -48.11 19.4 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 C-N-CA 124.046 0.938 . . . . 97.58 109.381 179.105 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 20' ' ' GLU . . . . . 0.786 ' HB2' ' O ' ' D' ' 17' ' ' TYR . 6.8 mt-10 -36.77 -63.02 0.44 Allowed 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 126.685 1.994 . . . . 98.07 111.966 179.184 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 21' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -71.95 -26.59 62.34 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-N 113.133 -1.849 . . . . 67.78 114.678 -178.438 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 22' ' ' GLU . . . . . 0.487 ' OE1' ' HB2' ' A' ' 23' ' ' LEU . 10.6 mt-10 -61.99 -39.72 93.17 Favored 'General case' 0 C--O 1.275 2.397 0 O-C-N 120.438 -1.414 . . . . 98.21 110.576 178.483 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 23' ' ' LEU . . . . . 0.723 HD11 HG23 ' C' ' 19' ' ' ILE . 58.6 mt -70.22 -38.16 75.17 Favored 'General case' 0 N--CA 1.418 -2.031 0 CA-C-N 111.655 -2.52 . . . . 76.0 106.55 177.252 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 24' ' ' ALA . . . . . 0.753 ' O ' ' HG2' ' D' ' 28' ' ' LYS . . . -56.99 -50.87 71.39 Favored 'General case' 0 CA--C 1.503 -0.86 0 CA-C-O 124.483 2.087 . . . . 39.8 109.166 179.921 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 25' ' ' ARG . . . . . 0.713 ' HE ' ' HD3' ' A' ' 27' ' ' LYS 0.267 4.6 ttt85 -55.84 -55.16 35.77 Favored 'General case' 0 N--CA 1.422 -1.836 0 CA-C-N 110.11 -3.223 . . . . 74.24 109.076 175.086 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 26' ' ' ILE . . . . . 0.462 HG13 ' O ' ' D' ' 22' ' ' GLU 0.261 96.2 mt -54.84 -38.5 44.59 Favored 'Isoleucine or valine' 0 C--N 1.359 1.015 0 C-N-CA 116.556 -2.058 . . . . 32.27 114.145 -179.748 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -60.42 -47.03 87.86 Favored 'General case' 0 CA--C 1.502 -0.897 0 C-N-CA 123.187 0.595 . . . . 90.04 110.374 179.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 28' ' ' LYS . . . . . 0.753 ' HG2' ' O ' ' D' ' 24' ' ' ALA . 65.1 mmtt -59.67 -52.82 63.87 Favored 'General case' 0 CA--C 1.488 -1.441 0 CA-C-N 113.656 -1.611 . . . . 99.99 111.778 178.309 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 29' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' D' ' 25' ' ' ARG . 62.9 mt -46.04 -44.43 15.27 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 125.967 2.042 . . . . 85.29 108.334 178.377 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 38.3 mt -83.69 -13.83 53.17 Favored 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 117.242 2.312 . . . . 96.81 117.242 177.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.095 0 O-C-N 117.879 -3.013 . . . . 96.72 109.769 179.872 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 34' ' ' HOH . . . . . 0.45 ' O ' ' HE2' ' B' ' 2' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' HOH . . . . . 0.681 ' O ' ' NE2' ' A' ' 4' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 38' ' ' HOH . . . . . 0.437 ' O ' ' HB3' ' A' ' 27' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 47' ' ' HOH . . . . . 0.669 ' O ' ' HE2' ' A' ' 28' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' B' B ' 34' ' ' HOH . . . . . 0.603 ' O ' ' HB3' ' B' ' 10' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 37' ' ' HOH . . . . . 0.643 ' O ' ' HG2' ' A' ' 22' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 45' ' ' HOH . . . . . 0.466 ' O ' ' HG2' ' C' ' 10' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 37' ' ' HOH . . . . . 0.667 ' O ' ' HB3' ' C' ' 3' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 49' ' ' HOH . . . . . 0.652 ' O ' ' ND2' ' C' ' 21' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 39' ' ' HOH . . . . . 0.436 ' O ' ' HB3' ' D' ' 7' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 43' ' ' HOH . . . . . 0.473 ' O ' ' HB2' ' D' ' 11' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 . . . . . . . . 99.99 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.263 1.9 mmm-85 -56.91 -12.48 2.01 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 124.731 1.212 . . . . 99.99 112.98 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -91.44 -16.21 27.67 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.222 1.409 . . . . 51.02 114.432 176.738 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -82.69 -28.76 30.37 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 105.836 -1.913 . . . . 96.73 105.836 175.309 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -52.15 -66.43 0.39 Allowed 'General case' 0 C--N 1.363 1.167 0 O-C-N 125.162 1.539 . . . . 96.9 106.965 175.298 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 49.3 mt -38.31 -50.36 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.686 0 N-CA-C 115.25 1.574 . . . . 85.04 115.25 175.768 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -66.45 -47.65 72.48 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.847 0.832 . . . . 99.99 112.278 -176.596 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.557 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 1.4 m-20 -65.24 1.83 0.96 Allowed 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 114.253 1.205 . . . . 99.99 114.253 178.259 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -105.29 -42.33 5.29 Favored 'General case' 0 N--CA 1.426 -1.654 0 N-CA-C 105.165 -2.161 . . . . 96.48 105.165 175.735 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.9 mt -58.23 -27.12 63.66 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 118.777 -1.169 . . . . 58.09 111.028 178.198 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.785 ' HB2' ' NZ ' ' D' ' 8' ' ' LYS . 12.8 tp10 -72.66 -47.62 45.95 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 114.817 -1.083 . . . . 99.99 110.968 177.097 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . 0.258 57.2 tt0 -66.43 -23.2 66.26 Favored 'General case' 0 C--N 1.383 2.056 0 N-CA-C 109.094 -0.706 . . . . 56.02 109.094 176.876 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.4 mt -75.71 -50.44 23.43 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.256 0 N-CA-C 103.85 -2.648 . . . . 53.22 103.85 173.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.52 ' HG ' HG12 ' D' ' 12' ' ' ILE 0.268 1.3 mt -47.17 -48.32 23.6 Favored 'General case' 0 N--CA 1.436 -1.133 0 N-CA-C 114.593 1.331 . . . . 93.22 114.593 -175.083 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' SER . . . . . 0.468 ' HA ' ' CD2' ' A' ' 17' ' ' TYR . 74.6 m -65.57 -34.14 77.56 Favored 'General case' 0 C--O 1.244 0.788 0 CA-C-N 111.73 -2.486 . . . . 93.18 113.879 178.191 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.402 ' O ' HD12 ' A' ' 19' ' ' ILE . 22.2 mttm -77.87 -19.81 54.14 Favored 'General case' 0 N--CA 1.432 -1.365 0 C-N-CA 116.02 -2.272 . . . . 54.22 109.261 -179.772 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.479 ' O ' ' OE1' ' A' ' 20' ' ' GLU . 10.6 mt -77.81 -22.34 50.17 Favored 'General case' 0 N--CA 1.417 -2.08 0 C-N-CA 116.509 -2.077 . . . . 61.99 106.517 174.489 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.468 ' CD2' ' HA ' ' A' ' 14' ' ' SER . 7.4 m-85 -66.57 -46.47 75.89 Favored 'General case' 0 CA--C 1.561 1.38 0 O-C-N 119.747 -1.845 . . . . 98.42 114.406 175.725 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -70.83 -33.71 70.95 Favored 'General case' 0 C--O 1.25 1.085 0 CA-C-O 123.868 1.794 . . . . 71.42 109.831 -175.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.402 HD12 ' O ' ' A' ' 15' ' ' LYS . 14.4 mt -59.19 -40.51 81.28 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.371 0 CA-C-N 113.829 -1.532 . . . . 58.74 111.563 178.794 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.901 ' HG2' ' HD2' ' D' ' 18' ' ' HIS . 0.7 OUTLIER -57.53 -34.34 69.04 Favored 'General case' 0 N--CA 1.436 -1.126 0 O-C-N 124.805 1.316 . . . . 99.99 112.578 179.882 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -75.55 -51.27 13.3 Favored 'General case' 0 C--O 1.223 -0.334 0 O-C-N 125.862 1.976 . . . . 97.26 112.358 -178.343 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.643 ' HG2' ' O ' ' B' ' 37' ' ' HOH . 42.5 mt-10 -46.09 -47.89 17.17 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-O 121.795 0.807 . . . . 97.27 111.247 175.616 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.705 ' O ' ' HB2' ' A' ' 27' ' ' LYS . 24.7 mt -71.37 -22.11 61.93 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 118.216 2.673 . . . . 50.43 118.216 -178.069 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.26 -21.62 27.28 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 123.898 0.749 . . . . 36.66 109.222 179.519 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -78.87 -46.67 18.06 Favored 'General case' 0 C--O 1.25 1.109 0 O-C-N 126.067 2.104 . . . . 99.99 108.546 172.42 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.3 mt -64.3 -32.97 59.7 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.157 0 N-CA-C 106.042 -1.836 . . . . 97.73 106.042 177.634 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.713 ' HD3' ' HE ' ' D' ' 25' ' ' ARG . 29.7 ttmt -65.83 -48.69 70.81 Favored 'General case' 0 N--CA 1.386 -3.661 0 CA-C-N 113.061 -1.881 . . . . 45.29 109.766 -178.885 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.669 ' HE2' ' O ' ' A' ' 47' ' ' HOH . 42.2 mtpt -70.95 -35.56 72.23 Favored 'General case' 0 CA--C 1.489 -1.372 0 C-N-CA 117.438 -1.705 . . . . 96.76 114.818 -178.919 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.3 mt -55.32 -11.52 0.81 Allowed 'General case' 0 C--N 1.347 0.461 0 O-C-N 126.503 2.377 . . . . 98.08 115.345 -174.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.44 HD21 HD21 ' B' ' 30' ' ' LEU . 1.1 mt -133.11 55.32 1.91 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 127.088 2.155 . . . . 71.62 109.079 177.276 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.599 0 C-N-CA 116.616 -2.706 . . . . 96.81 110.027 -179.869 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.151 . . . . . . . . 61.11 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ARG . . . . . 0.89 ' NH1' ' HB2' ' C' ' 2' ' ' MET . 2.1 mtm180 -5.4 -53.26 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 129.596 3.158 . . . . 97.84 113.498 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' MET . . . . . 0.45 ' HE2' ' O ' ' A' ' 34' ' ' HOH . 44.9 mmm -39.0 -61.91 0.69 Allowed 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 116.389 1.996 . . . . 62.97 116.389 176.126 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -61.33 -46.05 91.88 Favored 'General case' 0 C--O 1.203 -1.343 0 O-C-N 119.194 -2.191 . . . . 50.33 109.557 -179.759 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.412 ' O ' ' HG2' ' B' ' 8' ' ' LYS . 67.2 mt-30 -54.98 -37.56 66.68 Favored 'General case' 0 C--N 1.315 -0.914 0 C-N-CA 126.77 2.028 . . . . 99.99 115.655 -177.31 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.607 HD13 HG22 ' C' ' 5' ' ' ILE . 6.0 mt -71.36 -46.23 65.65 Favored 'Isoleucine or valine' 0 CA--C 1.473 -1.986 0 CA-C-O 121.786 0.803 . . . . 82.81 110.849 179.747 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.93 34.39 0.67 Allowed 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 109.918 -3.31 . . . . 98.7 111.533 176.315 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ASP . . . . . 0.506 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 0.4 OUTLIER -119.97 -23.94 6.23 Favored 'General case' 0 CA--C 1.506 -0.719 0 N-CA-C 105.431 -2.063 . . . . 97.16 105.431 171.599 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' B' ' 4' ' ' GLN . 12.1 mmtt -96.43 -43.93 7.42 Favored 'General case' 0 C--O 1.222 -0.393 0 O-C-N 127.601 3.063 . . . . 70.53 113.152 -179.811 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 33.7 mt -53.41 -49.61 66.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.717 0.77 . . . . 98.04 110.251 -179.076 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.603 ' HB3' ' O ' ' B' ' 34' ' ' HOH . 2.0 tt0 -72.68 -0.73 13.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.461 -0.791 . . . . 99.99 112.926 179.125 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' B' ' 7' ' ' ASP . 46.1 mm-40 -96.41 -26.35 15.36 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 123.703 1.716 . . . . 96.41 109.91 172.841 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.493 HG23 ' CD1' ' C' ' 16' ' ' LEU . 66.3 mt -80.42 -33.32 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.103 0 CA-C-N 111.812 -2.449 . . . . 39.33 105.902 172.487 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' B' ' 10' ' ' GLU . 83.7 mt -59.41 -65.46 0.67 Allowed 'General case' 0 C--O 1.247 0.921 0 CA-C-O 126.653 3.121 . . . . 99.99 109.858 178.261 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 27.0 m -39.06 -51.61 1.85 Allowed 'General case' 0 C--N 1.287 -2.139 0 CA-C-N 109.886 -3.324 . . . . 74.65 110.904 174.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -35.05 79.91 Favored 'General case' 0 C--O 1.202 -1.443 0 C-N-CA 125.604 1.562 . . . . 99.99 114.902 -179.993 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.439 ' O ' ' HB2' ' B' ' 20' ' ' GLU . 10.9 mt -67.93 -35.48 78.51 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 123.4 1.571 . . . . 73.46 108.682 176.217 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.9 m-30 -55.64 -60.89 2.81 Favored 'General case' 0 N--CA 1.431 -1.391 0 CA-C-O 113.349 -3.215 . . . . 97.78 106.895 177.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . 0.297 0.5 OUTLIER -62.73 -34.86 78.04 Favored 'General case' 0 N--CA 1.513 2.709 0 N-CA-C 118.953 2.945 . . . . 97.03 118.953 178.87 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 15.3 mt -66.3 -36.91 78.52 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.584 0 N-CA-C 104.409 -2.441 . . . . 62.33 104.409 177.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' B' ' 16' ' ' LEU . 4.5 mt-10 -67.0 -41.16 87.21 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-O 122.587 1.184 . . . . 64.29 112.004 179.657 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -60.81 -49.95 75.42 Favored 'General case' 0 C--N 1.292 -1.918 0 CA-C-N 113.49 -1.686 . . . . 81.02 107.074 178.339 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -54.55 -27.37 38.15 Favored 'General case' 0 C--O 1.247 0.953 0 C-N-CA 125.664 1.586 . . . . 99.99 113.541 179.42 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.492 HD23 HD12 ' B' ' 26' ' ' ILE . 3.7 mt -86.02 -25.77 25.77 Favored 'General case' 0 CA--C 1.494 -1.187 0 C-N-CA 117.362 -1.735 . . . . 80.68 112.678 -179.289 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.624 ' O ' ' HB2' ' B' ' 27' ' ' LYS . . . -52.1 -49.43 63.61 Favored 'General case' 0 C--O 1.257 1.456 0 CA-C-O 122.824 1.297 . . . . 71.39 108.614 174.797 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ARG . . . . . 0.605 ' NH2' ' HB2' ' C' ' 27' ' ' LYS . 0.2 OUTLIER -56.43 -53.48 56.91 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 112.675 -2.057 . . . . 96.92 111.416 -179.677 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.492 HD12 HD23 ' B' ' 23' ' ' LEU . 82.9 mt -54.65 -23.74 12.05 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.52 0 CA-C-N 114.253 -1.339 . . . . 82.53 110.591 -176.229 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.624 ' HB2' ' O ' ' B' ' 24' ' ' ALA . 18.6 mtpt -73.7 -73.38 0.22 Allowed 'General case' 0 C--O 1.245 0.83 0 O-C-N 126.06 2.1 . . . . 99.99 108.004 178.993 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . 0.456 33.5 mttp -40.82 -44.02 2.16 Favored 'General case' 0 N--CA 1.419 -1.995 0 O-C-N 125.697 1.873 . . . . 99.99 114.415 177.68 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.453 ' N ' HD23 ' B' ' 29' ' ' LEU 0.301 0.4 OUTLIER -56.56 -65.19 0.65 Allowed 'General case' 0 C--O 1.251 1.153 0 CA-C-N 119.83 1.195 . . . . 31.73 109.335 173.243 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.44 HD21 HD21 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -53.27 -18.3 2.32 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 111.746 -2.479 . . . . 83.79 115.589 -173.666 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.262 1.889 0 N-CA-C 110.027 -1.229 . . . . 64.56 110.027 -179.165 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 0' ' ' ACE . . . . . 0.476 ' O ' ' N ' ' C' ' 3' ' ' LYS . . . . . . . . 0 C--O 1.231 0.086 . . . . . . . . 53.39 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' ARG . . . . . 0.486 ' HD2' ' SD ' ' D' ' 2' ' ' MET . 2.4 ttm180 -20.56 -53.89 0.02 OUTLIER 'General case' 0 C--O 1.185 -2.294 1 C-N-CA 134.716 5.207 . . . . 99.99 110.88 . . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' MET . . . . . 0.89 ' HB2' ' NH1' ' B' ' 1' ' ' ARG . 83.6 mmm -69.5 -44.85 70.25 Favored 'General case' 0 C--N 1.306 -1.288 0 C-N-CA 126.796 2.039 . . . . 51.2 113.931 178.215 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' LYS . . . . . 0.667 ' HB3' ' O ' ' C' ' 37' ' ' HOH . 2.1 tttp -67.72 -28.79 67.95 Favored 'General case' 0 C--O 1.185 -2.304 0 N-CA-C 106.157 -1.794 . . . . 64.5 106.157 175.311 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.97 -32.7 63.57 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 124.161 1.934 . . . . 96.03 107.179 -179.624 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' ILE . . . . . 0.607 HG22 HD13 ' B' ' 5' ' ' ILE . 1.2 mt -65.89 -50.15 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.012 0 C-N-CA 125.735 1.614 . . . . 84.88 112.713 176.811 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -70.43 -19.08 63.01 Favored 'General case' 0 C--N 1.357 0.933 0 O-C-N 125.569 1.793 . . . . 67.86 111.188 -179.736 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -75.79 -47.31 26.28 Favored 'General case' 0 C--N 1.363 1.185 0 CA-C-O 122.941 1.353 . . . . 96.16 110.053 -179.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -59.13 -36.54 75.39 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 115.425 -0.807 . . . . 99.99 111.509 178.216 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 12.0 mt -68.03 -24.74 65.13 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 124.9 1.375 . . . . 62.75 111.86 176.328 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' B' ' 45' ' ' HOH . 9.3 mt-10 -78.36 -30.67 48.11 Favored 'General case' 0 CA--C 1.484 -1.573 0 N-CA-C 106.457 -1.683 . . . . 99.99 106.457 176.737 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -56.97 13.66 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 125.722 1.889 . . . . 99.99 111.117 172.948 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 62.4 mt -58.34 -32.94 46.25 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.332 0 CA-C-N 114.665 -1.152 . . . . 54.92 110.051 -179.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' LEU . . . . . 0.74 ' O ' HD12 ' C' ' 13' ' ' LEU . 0.2 OUTLIER -71.84 -17.07 62.16 Favored 'General case' 0 N--CA 1.435 -1.186 0 N-CA-C 115.155 1.539 . . . . 62.79 115.155 -177.306 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' SER . . . . . . . . . . . . . 64.6 m -92.69 -40.63 10.61 Favored 'General case' 0 C--O 1.274 2.378 0 O-C-N 120.095 -1.628 . . . . 96.39 113.16 -178.008 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' LYS . . . . . 0.522 ' NZ ' ' CD1' ' D' ' 17' ' ' TYR . 8.1 mtmt -60.3 -36.17 77.26 Favored 'General case' 0 C--N 1.381 1.968 0 CA-C-O 126.408 3.004 . . . . 59.03 107.091 176.101 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' LEU . . . . . 0.493 ' CD1' HG23 ' B' ' 12' ' ' ILE . 60.7 mt -67.85 -24.74 65.29 Favored 'General case' 0 N--CA 1.398 -3.047 0 CA-C-N 112.18 -2.282 . . . . 75.37 109.353 179.353 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' TYR . . . . . . . . . . . . 0.314 3.2 m-85 -75.72 -27.27 58.1 Favored 'General case' 0 CA--C 1.46 -2.507 0 O-C-N 126.355 2.284 . . . . 79.78 112.564 178.736 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' HIS . . . . . 0.602 ' O ' ' HG3' ' C' ' 22' ' ' GLU . 18.2 t60 -77.6 -35.63 52.66 Favored 'General case' 0 N--CA 1.432 -1.349 0 O-C-N 126.881 2.613 . . . . 91.25 113.616 178.153 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' ILE . . . . . 0.723 HG23 HD11 ' D' ' 23' ' ' LEU . 20.8 mt -66.39 -23.1 31.06 Favored 'Isoleucine or valine' 0 C--O 1.244 0.774 0 N-CA-C 113.364 0.876 . . . . 97.38 113.364 -178.504 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -86.8 -20.64 27.28 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-O 123.129 1.442 . . . . 92.9 109.534 179.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' ASN . . . . . 0.672 ' O ' ' HB3' ' C' ' 24' ' ' ALA 0.253 0.3 OUTLIER -67.92 -41.19 82.98 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 104.183 -2.525 . . . . 96.62 104.183 176.642 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' C' C ' 22' ' ' GLU . . . . . 0.602 ' HG3' ' O ' ' C' ' 18' ' ' HIS 0.317 5.5 mt-10 -77.0 -30.11 55.77 Favored 'General case' 0 C--O 1.263 1.764 0 N-CA-C 117.716 2.487 . . . . 32.67 117.716 -177.555 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' C' ' 19' ' ' ILE . 61.1 mt -79.6 0.38 30.27 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-O 124.432 2.063 . . . . 34.53 105.583 173.164 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 24' ' ' ALA . . . . . 0.672 ' HB3' ' O ' ' C' ' 21' ' ' ASN . . . -90.82 -32.68 15.98 Favored 'General case' 0 N--CA 1.412 -2.326 0 N-CA-C 106.16 -1.793 . . . . 97.98 106.16 177.372 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 25' ' ' ARG . . . . . 0.548 ' O ' ' HB2' ' C' ' 28' ' ' LYS . 75.4 ttt180 -73.49 -54.09 9.06 Favored 'General case' 0 C--N 1.369 1.451 0 C-N-CA 118.311 -1.356 . . . . 74.66 109.958 176.275 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 4.4 mt -34.95 -45.54 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 126.543 1.937 . . . . 80.37 112.252 177.61 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 27' ' ' LYS . . . . . 0.605 ' HB2' ' NH2' ' B' ' 25' ' ' ARG . 1.1 tmtp? -62.36 -35.39 79.0 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 123.794 1.759 . . . . 95.32 110.547 178.21 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 28' ' ' LYS . . . . . 0.548 ' HB2' ' O ' ' C' ' 25' ' ' ARG . 16.9 mtmm -68.19 -59.27 3.34 Favored 'General case' 0 N--CA 1.422 -1.852 0 CA-C-O 125.494 2.569 . . . . 99.99 105.127 175.62 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 29' ' ' LEU . . . . . 0.416 ' CD1' ' HG2' ' C' ' 25' ' ' ARG . 16.7 mt -50.13 -19.04 0.66 Allowed 'General case' 0 N--CA 1.429 -1.477 0 CA-C-N 112.981 -1.918 . . . . 82.97 115.608 -175.575 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 7.0 mt -114.72 9.35 16.38 Favored 'General case' 0 CA--C 1.491 -1.306 0 O-C-N 124.77 1.293 . . . . 96.6 112.869 -173.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.198 0 O-C-N 124.379 1.049 . . . . 96.17 114.376 179.726 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.595 . . . . . . . . 99.99 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 1' ' ' ARG . . . . . 0.443 ' HA ' ' HE ' ' D' ' 1' ' ' ARG . 0.1 OUTLIER -151.67 -28.28 0.18 Allowed 'General case' 0 CA--C 1.562 1.432 0 O-C-N 127.263 2.852 . . . . 99.99 118.065 . . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 2' ' ' MET . . . . . 0.486 ' SD ' ' HD2' ' C' ' 1' ' ' ARG . 24.8 ttm -115.42 -23.95 8.61 Favored 'General case' 0 C--N 1.38 1.914 0 N-CA-C 121.717 3.969 . . . . 87.33 121.717 -170.678 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.89 -25.96 67.41 Favored 'General case' 0 C--O 1.251 1.155 0 O-C-N 117.816 -3.052 . . . . 83.93 107.485 175.825 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -57.18 -47.19 81.86 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 112.333 -2.212 . . . . 90.0 107.625 178.724 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 5' ' ' ILE . . . . . 0.444 ' O ' ' HG ' ' D' ' 9' ' ' LEU 0.304 3.9 mt -52.32 -43.37 40.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 117.648 2.462 . . . . 96.14 117.648 178.203 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 6' ' ' GLU . . . . . 0.444 ' OE1' HG12 ' C' ' 5' ' ' ILE . 9.1 tp10 -88.8 -9.1 53.0 Favored 'General case' 0 N--CA 1.427 -1.584 0 O-C-N 121.665 -0.647 . . . . 99.99 110.21 -177.61 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 7' ' ' ASP . . . . . 0.436 ' HB3' ' O ' ' D' ' 39' ' ' HOH . 0.5 OUTLIER -87.02 -31.49 20.53 Favored 'General case' 0 CA--C 1.51 -0.573 0 O-C-N 126.449 2.343 . . . . 65.53 110.839 179.283 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 8' ' ' LYS . . . . . 0.785 ' NZ ' ' HB2' ' A' ' 10' ' ' GLU . 13.2 mttt -78.67 -30.83 46.45 Favored 'General case' 0 N--CA 1.423 -1.785 0 C-N-CA 117.258 -1.777 . . . . 99.99 107.825 173.733 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 9' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' D' ' 5' ' ' ILE . 74.1 mt -62.96 -56.0 20.93 Favored 'General case' 0 C--N 1.373 1.599 0 C-N-CA 127.599 2.36 . . . . 97.4 112.879 -179.41 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 10' ' ' GLU . . . . . 1.137 ' HA ' HD12 ' D' ' 13' ' ' LEU . 4.9 mm-40 -51.39 -30.65 19.7 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.571 -1.33 . . . . 99.99 109.907 173.798 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 11' ' ' GLU . . . . . 0.687 ' HB3' ' O ' ' D' ' 8' ' ' LYS . 30.9 tt0 -76.21 -37.29 57.94 Favored 'General case' 0 C--N 1.368 1.388 0 C-N-CA 127.711 2.405 . . . . 67.03 112.054 178.323 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 12' ' ' ILE . . . . . 0.52 HG12 ' HG ' ' A' ' 13' ' ' LEU . 23.6 mt -71.36 -30.29 39.1 Favored 'Isoleucine or valine' 0 C--O 1.258 1.516 0 CA-C-O 124.172 1.939 . . . . 61.93 108.002 176.324 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 13' ' ' LEU . . . . . 1.137 HD12 ' HA ' ' D' ' 10' ' ' GLU . 30.3 mt -60.72 -68.3 0.32 Allowed 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 112.122 -2.308 . . . . 97.57 109.391 175.347 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 14' ' ' SER . . . . . . . . . . . . . 35.5 m -40.95 -44.0 2.23 Favored 'General case' 0 C--O 1.185 -2.293 0 CA-C-O 116.131 -1.89 . . . . 88.37 114.643 178.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 15' ' ' LYS . . . . . 0.451 ' O ' ' HB3' ' D' ' 18' ' ' HIS . 4.8 mptt -54.69 -62.64 1.52 Allowed 'General case' 0 C--O 1.267 2.019 0 O-C-N 125.122 1.513 . . . . 83.74 111.748 175.713 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 16' ' ' LEU . . . . . 0.544 HD23 HD12 ' D' ' 19' ' ' ILE . 8.6 mt -54.47 -23.45 16.22 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-N 113.556 -1.657 . . . . 97.06 110.451 -179.453 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 17' ' ' TYR . . . . . 0.786 ' O ' ' HB2' ' D' ' 20' ' ' GLU . 5.7 m-30 -74.33 -43.44 56.66 Favored 'General case' 0 C--N 1.361 1.082 0 N-CA-C 105.25 -2.13 . . . . 99.24 105.25 176.894 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 18' ' ' HIS . . . . . 0.901 ' HD2' ' HG2' ' A' ' 20' ' ' GLU . 68.0 t60 -54.07 -57.71 10.07 Favored 'General case' 0 C--O 1.209 -1.038 0 O-C-N 121.408 -0.807 . . . . 70.77 110.078 175.062 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 19' ' ' ILE . . . . . 0.544 HD12 HD23 ' D' ' 16' ' ' LEU . 56.8 mt -49.42 -48.11 19.4 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 C-N-CA 124.046 0.938 . . . . 97.58 109.381 179.105 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 20' ' ' GLU . . . . . 0.786 ' HB2' ' O ' ' D' ' 17' ' ' TYR . 6.8 mt-10 -36.77 -63.02 0.44 Allowed 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 126.685 1.994 . . . . 98.07 111.966 179.184 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 21' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -71.95 -26.59 62.34 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-N 113.133 -1.849 . . . . 67.78 114.678 -178.438 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 22' ' ' GLU . . . . . 0.487 ' OE1' ' HB2' ' A' ' 23' ' ' LEU . 10.6 mt-10 -61.99 -39.72 93.17 Favored 'General case' 0 C--O 1.275 2.397 0 O-C-N 120.438 -1.414 . . . . 98.21 110.576 178.483 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 23' ' ' LEU . . . . . 0.723 HD11 HG23 ' C' ' 19' ' ' ILE . 58.6 mt -70.22 -38.16 75.17 Favored 'General case' 0 N--CA 1.418 -2.031 0 CA-C-N 111.655 -2.52 . . . . 76.0 106.55 177.252 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 24' ' ' ALA . . . . . 0.753 ' O ' ' HG2' ' D' ' 28' ' ' LYS . . . -56.99 -50.87 71.39 Favored 'General case' 0 CA--C 1.503 -0.86 0 CA-C-O 124.483 2.087 . . . . 39.8 109.166 179.921 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 25' ' ' ARG . . . . . 0.713 ' HE ' ' HD3' ' A' ' 27' ' ' LYS 0.267 4.6 ttt85 -55.84 -55.16 35.77 Favored 'General case' 0 N--CA 1.422 -1.836 0 CA-C-N 110.11 -3.223 . . . . 74.24 109.076 175.086 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 26' ' ' ILE . . . . . 0.462 HG13 ' O ' ' D' ' 22' ' ' GLU 0.261 96.2 mt -54.84 -38.5 44.59 Favored 'Isoleucine or valine' 0 C--N 1.359 1.015 0 C-N-CA 116.556 -2.058 . . . . 32.27 114.145 -179.748 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -60.42 -47.03 87.86 Favored 'General case' 0 CA--C 1.502 -0.897 0 C-N-CA 123.187 0.595 . . . . 90.04 110.374 179.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 28' ' ' LYS . . . . . 0.753 ' HG2' ' O ' ' D' ' 24' ' ' ALA . 65.1 mmtt -59.67 -52.82 63.87 Favored 'General case' 0 CA--C 1.488 -1.441 0 CA-C-N 113.656 -1.611 . . . . 99.99 111.778 178.309 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 29' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' D' ' 25' ' ' ARG . 62.9 mt -46.04 -44.43 15.27 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 125.967 2.042 . . . . 85.29 108.334 178.377 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 38.3 mt -83.69 -13.83 53.17 Favored 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 117.242 2.312 . . . . 96.81 117.242 177.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.095 0 O-C-N 117.879 -3.013 . . . . 96.72 109.769 179.872 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' HOH . . . . . 0.45 ' O ' ' HE2' ' B' ' 2' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' HOH . . . . . 0.437 ' O ' ' HB3' ' A' ' 27' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' HOH . . . . . 0.669 ' O ' ' HE2' ' A' ' 28' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' B' B ' 34' ' ' HOH . . . . . 0.603 ' O ' ' HB3' ' B' ' 10' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' HOH . . . . . 0.643 ' O ' ' HG2' ' A' ' 22' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' HOH . . . . . 0.466 ' O ' ' HG2' ' C' ' 10' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 37' ' ' HOH . . . . . 0.667 ' O ' ' HB3' ' C' ' 3' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 49' ' ' HOH . . . . . 0.652 ' O ' ' ND2' ' C' ' 21' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 39' ' ' HOH . . . . . 0.436 ' O ' ' HB3' ' D' ' 7' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 43' ' ' HOH . . . . . 0.473 ' O ' ' HB2' ' D' ' 11' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_