data_1unz_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 1unz _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.286 0.0 OUTLIER . . . . . 1 N--CA 1.61 7.56 0 N-CA-C 107.124 -1.435 . . . . 72.230000000000004 107.124 . . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -60.87 -38.37 85.37 Favored 'General case' 0 C--O 1.175 -2.841 0 N-CA-C 106.91 -1.515 . . . . 63.810000000000002 106.91 178.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 28.2 mt -75.16 -42.7 44.66 Favored 'Isoleucine or valine' 0 C--N 1.362 1.152 0 C-N-CA 126.116 1.766 . . . . 48.289999999999999 107.216 -166.671 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -65.16 -38.35 90.28 Favored 'General case' 0 CA--C 1.464 -2.328 0 CA-C-N 112.747 -2.024 . . . . 64.590000000000003 106.954 176.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -65.58 -43.78 88.71 Favored 'General case' 0 C--O 1.17 -3.13 0 C-N-CA 117.758 -1.577 . . . . 52.020000000000003 109.028 -176.661 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.8 mmtt -66.0 -34.98 79.33 Favored 'General case' 0 C--O 1.252 1.196 0 C-N-CA 124.445 1.098 . . . . 54.149999999999999 113.014 -177.525 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 53.2 mt -65.25 -43.39 91.48 Favored 'General case' 0 C--O 1.274 2.372 0 O-C-N 125.843 1.964 . . . . 33.299999999999997 108.772 176.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -67.95 -39.26 83.44 Favored 'General case' 0 N--CA 1.407 -2.598 0 C-N-CA 118.915 -1.114 . . . . 60.960000000000001 111.892 179.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -60.33 -47.22 86.96 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 119.502 -0.879 . . . . 53.719999999999999 109.808 175.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 56.5 mt -54.46 -50.09 60.59 Favored 'Isoleucine or valine' 0 C--O 1.292 3.327 0 O-C-N 124.707 1.254 . . . . 35.270000000000003 109.508 -178.817 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . 1.576 ' CD2' ' CG ' ' A' ' 13' ' ' LEU . 25.1 tp -65.26 -46.53 80.11 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-O 123.076 1.417 . . . . 41.450000000000003 111.938 -174.157 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.3 t -56.86 -37.64 71.59 Favored 'General case' 0 CA--C 1.601 2.934 0 N-CA-C 117.892 2.553 . . . . 44.990000000000002 117.892 172.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -57.65 -41.57 81.75 Favored 'General case' 1 CA--C 1.41 -4.436 0 N-CA-C 121.362 3.838 . . . . 48.799999999999997 121.362 161.876 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.1 mt -62.75 -42.27 99.6 Favored 'General case' 0 N--CA 1.51 2.574 0 N-CA-C 117.729 2.492 . . . . 27.469999999999999 117.729 167.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -57.57 -38.43 74.79 Favored 'General case' 0 C--O 1.201 -1.492 0 CA-C-N 121.472 1.942 . . . . 39.640000000000001 111.17 170.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' HIS . . . . . 0.403 ' CD2' ' OE2' ' B' ' 20' ' ' GLU . 81.9 t60 -70.79 -42.72 69.97 Favored 'General case' 0 C--O 1.184 -2.36 0 C-N-CA 119.069 -1.052 . . . . 47.32 112.48 179.642 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 88.9 mt -63.78 -47.92 88.76 Favored 'Isoleucine or valine' 0 CA--C 1.474 -1.962 0 O-C-N 120.487 -1.383 . . . . 29.289999999999999 109.837 178.164 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -49.81 -41.95 45.93 Favored 'General case' 0 CA--C 1.577 2.0 0 N-CA-C 120.669 3.581 . . . . 45.32 120.669 173.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -76.99 -40.87 45.15 Favored 'General case' 0 C--N 1.276 -2.599 0 CA-C-N 114.363 -1.29 . . . . 28.329999999999998 112.308 177.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -54.52 -50.18 68.46 Favored 'General case' 0 N--CA 1.535 3.799 0 O-C-N 118.721 -2.487 . . . . 41.039999999999999 116.88 166.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.3 mt -53.0 -30.06 33.0 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 119.531 3.16 . . . . 28.890000000000001 119.531 162.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.6 -33.23 20.25 Favored 'General case' 1 CA--C 1.411 -4.381 0 N-CA-C 104.156 -2.535 . . . . 32.780000000000001 104.156 -177.015 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 60.6 ttt-85 -66.58 -61.36 2.02 Favored 'General case' 0 CA--C 1.563 1.459 0 O-C-N 120.199 -1.563 . . . . 67.900000000000006 111.759 176.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -26.23 -56.51 0.07 Allowed 'General case' 0 N--CA 1.525 3.292 1 N-CA-C 122.079 4.103 . . . . 40.159999999999997 122.079 157.777 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -44.8 -55.14 5.62 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 123.964 1.84 . . . . 60.030000000000001 113.725 171.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.48 -46.14 91.19 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 110.944 -2.844 . . . . 59.049999999999997 110.219 -178.513 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 85.6 mt -72.25 -41.28 66.94 Favored 'General case' 1 C--O 1.138 -4.814 0 CA-C-N 121.749 2.068 . . . . 60.189999999999998 113.22 -179.822 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.5 tp . . . . . 0 C--O 1.3 3.713 0 CA-C-O 115.282 -2.294 . . . . 55.369999999999997 116.924 173.81 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' LYS . . . . . 1.596 ' CG ' ' CD ' ' B' ' 3' ' ' LYS . 13.3 tptp . . . . . 1 N--CA 1.547 4.415 0 N-CA-C 116.937 2.199 . . . . 52.539999999999999 116.937 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -60.09 -42.5 94.77 Favored 'General case' 0 C--O 1.168 -3.187 0 C-N-CA 116.643 -2.023 . . . . 72.349999999999994 109.216 169.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 47.0 mt -62.91 -47.75 91.34 Favored 'Isoleucine or valine' 0 N--CA 1.385 -3.717 0 C-N-CA 126.29 1.836 . . . . 41.850000000000001 110.064 178.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -65.15 -38.61 91.15 Favored 'General case' 0 CA--C 1.505 -0.787 0 CA-C-N 120.087 1.312 . . . . 62.130000000000003 108.539 -173.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -58.59 -42.63 88.5 Favored 'General case' 0 CA--C 1.482 -1.65 0 CA-C-O 122.914 1.34 . . . . 36.340000000000003 114.182 175.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -74.93 -36.04 62.16 Favored 'General case' 1 C--O 1.138 -4.77 0 N-CA-C 104.223 -2.51 . . . . 58.990000000000002 104.223 -176.783 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 25.8 mt -55.44 -42.8 74.69 Favored 'General case' 0 N--CA 1.522 3.142 0 N-CA-C 116.206 1.928 . . . . 42.280000000000001 116.206 172.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -61.25 -43.75 98.37 Favored 'General case' 1 C--O 1.119 -5.787 0 N-CA-C 114.838 1.422 . . . . 54.090000000000003 114.838 175.936 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -57.03 -52.11 66.58 Favored 'General case' 0 N--CA 1.411 -2.398 0 N-CA-C 113.573 0.953 . . . . 45.469999999999999 113.573 165.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 45.2 mt -45.87 -45.12 5.08 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.205 0 CA-C-O 125.874 2.75 . . . . 26.399999999999999 115.178 173.27 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 40.4 tp -73.26 -31.36 64.04 Favored 'General case' 0 C--O 1.283 2.821 0 O-C-N 119.882 -1.761 . . . . 38.810000000000002 110.103 -171.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 4.9 t -67.95 -41.18 82.89 Favored 'General case' 0 CA--C 1.574 1.893 0 N-CA-C 108.59 -0.893 . . . . 31.039999999999999 108.59 177.527 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.41 -37.66 73.08 Favored 'General case' 0 N--CA 1.416 -2.165 0 O-C-N 120.002 -1.686 . . . . 49.509999999999998 114.233 169.519 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 26.5 mt -73.27 -33.87 65.48 Favored 'General case' 0 C--N 1.27 -2.86 0 O-C-N 121.015 -1.053 . . . . 25.260000000000002 112.982 176.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -63.98 -41.68 97.46 Favored 'General case' 0 CA--C 1.493 -1.225 0 O-C-N 118.705 -2.497 . . . . 39.0 114.567 165.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -61.8 -32.98 73.31 Favored 'General case' 0 C--O 1.167 -3.272 0 N-CA-C 115.272 1.582 . . . . 43.439999999999998 115.272 170.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 71.9 mt -69.67 -35.8 67.44 Favored 'Isoleucine or valine' 0 C--O 1.257 1.466 0 O-C-N 119.746 -1.846 . . . . 30.02 110.445 174.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLU . . . . . 0.403 ' OE2' ' CD2' ' A' ' 18' ' ' HIS . 7.0 mm-40 -60.04 -48.05 83.33 Favored 'General case' 0 N--CA 1.422 -1.847 0 CA-C-O 125.222 2.439 . . . . 38.060000000000002 114.914 173.609 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -51.66 -47.36 63.81 Favored 'General case' 0 CA--C 1.466 -2.283 0 O-C-N 118.689 -2.507 . . . . 45.600000000000001 116.411 169.501 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -59.39 -43.77 92.89 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 106.789 -1.56 . . . . 32.359999999999999 106.789 -178.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 95.4 mt -68.84 -34.87 76.21 Favored 'General case' 0 CA--C 1.624 3.822 0 CA-C-O 117.636 -1.174 . . . . 32.560000000000002 111.214 -175.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.7 -46.52 85.1 Favored 'General case' 0 CA--C 1.562 1.416 0 CA-C-N 120.325 1.42 . . . . 39.530000000000001 110.544 175.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -52.48 -56.82 12.53 Favored 'General case' 0 C--O 1.299 3.676 0 N-CA-C 116.099 1.888 . . . . 72.310000000000002 116.099 173.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 23.2 p -54.11 -44.63 71.44 Favored 'General case' 0 CA--C 1.568 1.662 0 C-N-CA 119.265 -0.974 . . . . 51.719999999999999 110.188 176.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -56.22 -49.88 72.86 Favored 'General case' 0 C--O 1.17 -3.125 0 N-CA-C 115.943 1.831 . . . . 55.93 115.943 170.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -60.22 -54.55 44.41 Favored 'General case' 0 CA--C 1.555 1.148 0 N-CA-C 106.921 -1.511 . . . . 62.810000000000002 106.921 178.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . 0.339 12.0 tp -44.84 -49.73 10.66 Favored 'General case' 0 CA--C 1.609 3.22 0 O-C-N 118.605 -2.559 . . . . 58.380000000000003 115.679 177.542 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 23.1 mt . . . . . 0 C--O 1.183 -2.408 0 N-CA-C 117.614 2.45 . . . . 63.390000000000001 117.614 162.658 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.286 0.0 OUTLIER . . . . . 1 N--CA 1.61 7.56 0 N-CA-C 107.124 -1.435 . . . . 72.230000000000004 107.124 . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -60.87 -38.37 85.37 Favored 'General case' 0 C--O 1.175 -2.841 0 N-CA-C 106.91 -1.515 . . . . 63.810000000000002 106.91 178.364 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 28.2 mt -75.16 -42.7 44.66 Favored 'Isoleucine or valine' 0 C--N 1.362 1.152 0 C-N-CA 126.116 1.766 . . . . 48.289999999999999 107.216 -166.671 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -65.16 -38.35 90.28 Favored 'General case' 0 CA--C 1.464 -2.328 0 CA-C-N 112.747 -2.024 . . . . 64.590000000000003 106.954 176.888 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -65.58 -43.78 88.71 Favored 'General case' 0 C--O 1.17 -3.13 0 C-N-CA 117.758 -1.577 . . . . 52.020000000000003 109.028 -176.661 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.8 mmtt -66.0 -34.98 79.33 Favored 'General case' 0 C--O 1.252 1.196 0 C-N-CA 124.445 1.098 . . . . 54.149999999999999 113.014 -177.525 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 53.2 mt -65.25 -43.39 91.48 Favored 'General case' 0 C--O 1.274 2.372 0 O-C-N 125.843 1.964 . . . . 33.299999999999997 108.772 176.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -67.95 -39.26 83.44 Favored 'General case' 0 N--CA 1.407 -2.598 0 C-N-CA 118.915 -1.114 . . . . 60.960000000000001 111.892 179.596 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -60.33 -47.22 86.96 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 119.502 -0.879 . . . . 53.719999999999999 109.808 175.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 56.5 mt -54.46 -50.09 60.59 Favored 'Isoleucine or valine' 0 C--O 1.292 3.327 0 O-C-N 124.707 1.254 . . . . 35.270000000000003 109.508 -178.817 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . 1.576 ' CD2' ' CG ' ' A' ' 13' ' ' LEU . 25.1 tp -65.26 -46.53 80.11 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-O 123.076 1.417 . . . . 41.450000000000003 111.938 -174.157 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.3 t -56.86 -37.64 71.59 Favored 'General case' 0 CA--C 1.601 2.934 0 N-CA-C 117.892 2.553 . . . . 44.990000000000002 117.892 172.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . 0.573 ' HE3' ' CE1' ' B' ' 17' ' ' TYR . 9.8 mttm -57.65 -41.57 81.75 Favored 'General case' 1 CA--C 1.41 -4.436 0 N-CA-C 121.362 3.838 . . . . 48.799999999999997 121.362 161.876 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.1 mt -62.75 -42.27 99.6 Favored 'General case' 0 N--CA 1.51 2.574 0 N-CA-C 117.729 2.492 . . . . 27.469999999999999 117.729 167.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -57.57 -38.43 74.79 Favored 'General case' 0 C--O 1.201 -1.492 0 CA-C-N 121.472 1.942 . . . . 39.640000000000001 111.17 170.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -70.79 -42.72 69.97 Favored 'General case' 0 C--O 1.184 -2.36 0 C-N-CA 119.069 -1.052 . . . . 47.32 112.48 179.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 88.9 mt -63.78 -47.92 88.76 Favored 'Isoleucine or valine' 0 CA--C 1.474 -1.962 0 O-C-N 120.487 -1.383 . . . . 29.289999999999999 109.837 178.164 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -49.81 -41.95 45.93 Favored 'General case' 0 CA--C 1.577 2.0 0 N-CA-C 120.669 3.581 . . . . 45.32 120.669 173.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -76.99 -40.87 45.15 Favored 'General case' 0 C--N 1.276 -2.599 0 CA-C-N 114.363 -1.29 . . . . 28.329999999999998 112.308 177.403 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -54.52 -50.18 68.46 Favored 'General case' 0 N--CA 1.535 3.799 0 O-C-N 118.721 -2.487 . . . . 41.039999999999999 116.88 166.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.3 mt -53.0 -30.06 33.0 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 119.531 3.16 . . . . 28.890000000000001 119.531 162.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.6 -33.23 20.25 Favored 'General case' 1 CA--C 1.411 -4.381 0 N-CA-C 104.156 -2.535 . . . . 32.780000000000001 104.156 -177.015 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ARG . . . . . 0.587 ' NH1' ' HE3' ' B' ' 27' ' ' LYS . 60.6 ttt-85 -66.58 -61.36 2.02 Favored 'General case' 0 CA--C 1.563 1.459 0 O-C-N 120.199 -1.563 . . . . 67.900000000000006 111.759 176.548 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -26.23 -56.51 0.07 Allowed 'General case' 0 N--CA 1.525 3.292 1 N-CA-C 122.079 4.103 . . . . 40.159999999999997 122.079 157.777 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -44.8 -55.14 5.62 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 123.964 1.84 . . . . 60.030000000000001 113.725 171.136 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.48 -46.14 91.19 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 110.944 -2.844 . . . . 59.049999999999997 110.219 -178.513 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 85.6 mt -72.25 -41.28 66.94 Favored 'General case' 1 C--O 1.138 -4.814 0 CA-C-N 121.749 2.068 . . . . 60.189999999999998 113.22 -179.822 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.5 tp . . . . . 0 C--O 1.3 3.713 0 CA-C-O 115.282 -2.294 . . . . 55.369999999999997 116.924 173.81 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 3' ' ' LYS . . . . . 1.596 ' CG ' ' CD ' ' B' ' 3' ' ' LYS . 13.3 tptp . . . . . 1 N--CA 1.547 4.415 0 N-CA-C 116.937 2.199 . . . . 52.539999999999999 116.937 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -60.09 -42.5 94.77 Favored 'General case' 0 C--O 1.168 -3.187 0 C-N-CA 116.643 -2.023 . . . . 72.349999999999994 109.216 169.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ILE . . . . . 0.4 ' O ' ' HG ' ' B' ' 9' ' ' LEU . 47.0 mt -62.91 -47.75 91.34 Favored 'Isoleucine or valine' 0 N--CA 1.385 -3.717 0 C-N-CA 126.29 1.836 . . . . 41.850000000000001 110.064 178.811 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLU . . . . . 0.502 ' O ' ' HG3' ' B' ' 10' ' ' GLU . 5.6 tm-20 -65.15 -38.61 91.15 Favored 'General case' 0 CA--C 1.505 -0.787 0 CA-C-N 120.087 1.312 . . . . 62.130000000000003 108.539 -173.507 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -58.59 -42.63 88.5 Favored 'General case' 0 CA--C 1.482 -1.65 0 CA-C-O 122.914 1.34 . . . . 36.340000000000003 114.182 175.565 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -74.93 -36.04 62.16 Favored 'General case' 1 C--O 1.138 -4.77 0 N-CA-C 104.223 -2.51 . . . . 58.990000000000002 104.223 -176.783 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 9' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' B' ' 5' ' ' ILE . 25.8 mt -55.44 -42.8 74.69 Favored 'General case' 0 N--CA 1.522 3.142 0 N-CA-C 116.206 1.928 . . . . 42.280000000000001 116.206 172.714 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' B' ' 6' ' ' GLU . 3.5 mt-10 -61.25 -43.75 98.37 Favored 'General case' 1 C--O 1.119 -5.787 0 N-CA-C 114.838 1.422 . . . . 54.090000000000003 114.838 175.936 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -57.03 -52.11 66.58 Favored 'General case' 0 N--CA 1.411 -2.398 0 N-CA-C 113.573 0.953 . . . . 45.469999999999999 113.573 165.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 45.2 mt -45.87 -45.12 5.08 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.205 0 CA-C-O 125.874 2.75 . . . . 26.399999999999999 115.178 173.27 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 40.4 tp -73.26 -31.36 64.04 Favored 'General case' 0 C--O 1.283 2.821 0 O-C-N 119.882 -1.761 . . . . 38.810000000000002 110.103 -171.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 4.9 t -67.95 -41.18 82.89 Favored 'General case' 0 CA--C 1.574 1.893 0 N-CA-C 108.59 -0.893 . . . . 31.039999999999999 108.59 177.527 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LYS . . . . . 0.426 ' HA ' ' HD3' ' B' ' 15' ' ' LYS . 0.0 OUTLIER -57.41 -37.66 73.08 Favored 'General case' 0 N--CA 1.416 -2.165 0 O-C-N 120.002 -1.686 . . . . 49.509999999999998 114.233 169.519 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 26.5 mt -73.27 -33.87 65.48 Favored 'General case' 0 C--N 1.27 -2.86 0 O-C-N 121.015 -1.053 . . . . 25.260000000000002 112.982 176.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' TYR . . . . . 0.573 ' CE1' ' HE3' ' A' ' 15' ' ' LYS . 37.2 m-85 -63.98 -41.68 97.46 Favored 'General case' 0 CA--C 1.493 -1.225 0 O-C-N 118.705 -2.497 . . . . 39.0 114.567 165.109 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -61.8 -32.98 73.31 Favored 'General case' 0 C--O 1.167 -3.272 0 N-CA-C 115.272 1.582 . . . . 43.439999999999998 115.272 170.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 71.9 mt -69.67 -35.8 67.44 Favored 'Isoleucine or valine' 0 C--O 1.257 1.466 0 O-C-N 119.746 -1.846 . . . . 30.02 110.445 174.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -60.04 -48.05 83.33 Favored 'General case' 0 N--CA 1.422 -1.847 0 CA-C-O 125.222 2.439 . . . . 38.060000000000002 114.914 173.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ASN . . . . . 0.404 ' HB3' ' NH2' ' B' ' 25' ' ' ARG . 97.4 m-20 -51.66 -47.36 63.81 Favored 'General case' 0 CA--C 1.466 -2.283 0 O-C-N 118.689 -2.507 . . . . 45.600000000000001 116.411 169.501 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -59.39 -43.77 92.89 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 106.789 -1.56 . . . . 32.359999999999999 106.789 -178.659 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 95.4 mt -68.84 -34.87 76.21 Favored 'General case' 0 CA--C 1.624 3.822 0 CA-C-O 117.636 -1.174 . . . . 32.560000000000002 111.214 -175.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.7 -46.52 85.1 Favored 'General case' 0 CA--C 1.562 1.416 0 CA-C-N 120.325 1.42 . . . . 39.530000000000001 110.544 175.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ARG . . . . . 0.404 ' NH2' ' HB3' ' B' ' 21' ' ' ASN . 5.8 mtm180 -52.48 -56.82 12.53 Favored 'General case' 0 C--O 1.299 3.676 0 N-CA-C 116.099 1.888 . . . . 72.310000000000002 116.099 173.316 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 23.2 p -54.11 -44.63 71.44 Favored 'General case' 0 CA--C 1.568 1.662 0 C-N-CA 119.265 -0.974 . . . . 51.719999999999999 110.188 176.57 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' LYS . . . . . 0.587 ' HE3' ' NH1' ' A' ' 25' ' ' ARG . 15.9 tttt -56.22 -49.88 72.86 Favored 'General case' 0 C--O 1.17 -3.125 0 N-CA-C 115.943 1.831 . . . . 55.93 115.943 170.885 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -60.22 -54.55 44.41 Favored 'General case' 0 CA--C 1.555 1.148 0 N-CA-C 106.921 -1.511 . . . . 62.810000000000002 106.921 178.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . 0.339 12.0 tp -44.84 -49.73 10.66 Favored 'General case' 0 CA--C 1.609 3.22 0 O-C-N 118.605 -2.559 . . . . 58.380000000000003 115.679 177.542 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 23.1 mt . . . . . 0 C--O 1.183 -2.408 0 N-CA-C 117.614 2.45 . . . . 63.390000000000001 117.614 162.658 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.286 0.0 OUTLIER . . . . . 1 N--CA 1.61 7.56 0 N-CA-C 107.124 -1.435 . . . . 72.230000000000004 107.124 . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -60.87 -38.37 85.37 Favored 'General case' 0 C--O 1.175 -2.841 0 N-CA-C 106.91 -1.515 . . . . 63.810000000000002 106.91 178.364 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 28.2 mt -75.16 -42.7 44.66 Favored 'Isoleucine or valine' 0 C--N 1.362 1.152 0 C-N-CA 126.116 1.766 . . . . 48.289999999999999 107.216 -166.671 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -65.16 -38.35 90.28 Favored 'General case' 0 CA--C 1.464 -2.328 0 CA-C-N 112.747 -2.024 . . . . 64.590000000000003 106.954 176.888 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -65.58 -43.78 88.71 Favored 'General case' 0 C--O 1.17 -3.13 0 C-N-CA 117.758 -1.577 . . . . 52.020000000000003 109.028 -176.661 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.8 mmtt -66.0 -34.98 79.33 Favored 'General case' 0 C--O 1.252 1.196 0 C-N-CA 124.445 1.098 . . . . 54.149999999999999 113.014 -177.525 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 53.2 mt -65.25 -43.39 91.48 Favored 'General case' 0 C--O 1.274 2.372 0 O-C-N 125.843 1.964 . . . . 33.299999999999997 108.772 176.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -67.95 -39.26 83.44 Favored 'General case' 0 N--CA 1.407 -2.598 0 C-N-CA 118.915 -1.114 . . . . 60.960000000000001 111.892 179.596 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -60.33 -47.22 86.96 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 119.502 -0.879 . . . . 53.719999999999999 109.808 175.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 56.5 mt -54.46 -50.09 60.59 Favored 'Isoleucine or valine' 0 C--O 1.292 3.327 0 O-C-N 124.707 1.254 . . . . 35.270000000000003 109.508 -178.817 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.576 ' CD2' ' CG ' ' A' ' 13' ' ' LEU . 25.1 tp -65.26 -46.53 80.11 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-O 123.076 1.417 . . . . 41.450000000000003 111.938 -174.157 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.3 t -56.86 -37.64 71.59 Favored 'General case' 0 CA--C 1.601 2.934 0 N-CA-C 117.892 2.553 . . . . 44.990000000000002 117.892 172.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.573 ' HE3' ' CE1' ' B' ' 17' ' ' TYR . 9.8 mttm -57.65 -41.57 81.75 Favored 'General case' 1 CA--C 1.41 -4.436 0 N-CA-C 121.362 3.838 . . . . 48.799999999999997 121.362 161.876 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.1 mt -62.75 -42.27 99.6 Favored 'General case' 0 N--CA 1.51 2.574 0 N-CA-C 117.729 2.492 . . . . 27.469999999999999 117.729 167.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -57.57 -38.43 74.79 Favored 'General case' 0 C--O 1.201 -1.492 0 CA-C-N 121.472 1.942 . . . . 39.640000000000001 111.17 170.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.512 ' HD2' ' OE2' ' B' ' 20' ' ' GLU . 81.9 t60 -70.79 -42.72 69.97 Favored 'General case' 0 C--O 1.184 -2.36 0 C-N-CA 119.069 -1.052 . . . . 47.32 112.48 179.642 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 88.9 mt -63.78 -47.92 88.76 Favored 'Isoleucine or valine' 0 CA--C 1.474 -1.962 0 O-C-N 120.487 -1.383 . . . . 29.289999999999999 109.837 178.164 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -49.81 -41.95 45.93 Favored 'General case' 0 CA--C 1.577 2.0 0 N-CA-C 120.669 3.581 . . . . 45.32 120.669 173.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -76.99 -40.87 45.15 Favored 'General case' 0 C--N 1.276 -2.599 0 CA-C-N 114.363 -1.29 . . . . 28.329999999999998 112.308 177.403 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -54.52 -50.18 68.46 Favored 'General case' 0 N--CA 1.535 3.799 0 O-C-N 118.721 -2.487 . . . . 41.039999999999999 116.88 166.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.3 mt -53.0 -30.06 33.0 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 119.531 3.16 . . . . 28.890000000000001 119.531 162.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.6 -33.23 20.25 Favored 'General case' 1 CA--C 1.411 -4.381 0 N-CA-C 104.156 -2.535 . . . . 32.780000000000001 104.156 -177.015 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.587 ' NH1' ' HE3' ' B' ' 27' ' ' LYS . 60.6 ttt-85 -66.58 -61.36 2.02 Favored 'General case' 0 CA--C 1.563 1.459 0 O-C-N 120.199 -1.563 . . . . 67.900000000000006 111.759 176.548 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -26.23 -56.51 0.07 Allowed 'General case' 0 N--CA 1.525 3.292 1 N-CA-C 122.079 4.103 . . . . 40.159999999999997 122.079 157.777 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -44.8 -55.14 5.62 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 123.964 1.84 . . . . 60.030000000000001 113.725 171.136 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.48 -46.14 91.19 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 110.944 -2.844 . . . . 59.049999999999997 110.219 -178.513 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 85.6 mt -72.25 -41.28 66.94 Favored 'General case' 1 C--O 1.138 -4.814 0 CA-C-N 121.749 2.068 . . . . 60.189999999999998 113.22 -179.822 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.5 tp . . . . . 0 C--O 1.3 3.713 0 CA-C-O 115.282 -2.294 . . . . 55.369999999999997 116.924 173.81 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' LYS . . . . . 1.596 ' CG ' ' CD ' ' B' ' 3' ' ' LYS . 13.3 tptp . . . . . 1 N--CA 1.547 4.415 0 N-CA-C 116.937 2.199 . . . . 52.539999999999999 116.937 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -60.09 -42.5 94.77 Favored 'General case' 0 C--O 1.168 -3.187 0 C-N-CA 116.643 -2.023 . . . . 72.349999999999994 109.216 169.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.4 ' O ' ' HG ' ' B' ' 9' ' ' LEU . 47.0 mt -62.91 -47.75 91.34 Favored 'Isoleucine or valine' 0 N--CA 1.385 -3.717 0 C-N-CA 126.29 1.836 . . . . 41.850000000000001 110.064 178.811 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.502 ' O ' ' HG3' ' B' ' 10' ' ' GLU . 5.6 tm-20 -65.15 -38.61 91.15 Favored 'General case' 0 CA--C 1.505 -0.787 0 CA-C-N 120.087 1.312 . . . . 62.130000000000003 108.539 -173.507 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -58.59 -42.63 88.5 Favored 'General case' 0 CA--C 1.482 -1.65 0 CA-C-O 122.914 1.34 . . . . 36.340000000000003 114.182 175.565 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -74.93 -36.04 62.16 Favored 'General case' 1 C--O 1.138 -4.77 0 N-CA-C 104.223 -2.51 . . . . 58.990000000000002 104.223 -176.783 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' B' ' 5' ' ' ILE . 25.8 mt -55.44 -42.8 74.69 Favored 'General case' 0 N--CA 1.522 3.142 0 N-CA-C 116.206 1.928 . . . . 42.280000000000001 116.206 172.714 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' B' ' 6' ' ' GLU . 3.5 mt-10 -61.25 -43.75 98.37 Favored 'General case' 1 C--O 1.119 -5.787 0 N-CA-C 114.838 1.422 . . . . 54.090000000000003 114.838 175.936 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -57.03 -52.11 66.58 Favored 'General case' 0 N--CA 1.411 -2.398 0 N-CA-C 113.573 0.953 . . . . 45.469999999999999 113.573 165.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 45.2 mt -45.87 -45.12 5.08 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.205 0 CA-C-O 125.874 2.75 . . . . 26.399999999999999 115.178 173.27 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 40.4 tp -73.26 -31.36 64.04 Favored 'General case' 0 C--O 1.283 2.821 0 O-C-N 119.882 -1.761 . . . . 38.810000000000002 110.103 -171.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 4.9 t -67.95 -41.18 82.89 Favored 'General case' 0 CA--C 1.574 1.893 0 N-CA-C 108.59 -0.893 . . . . 31.039999999999999 108.59 177.527 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.426 ' HA ' ' HD3' ' B' ' 15' ' ' LYS . 0.0 OUTLIER -57.41 -37.66 73.08 Favored 'General case' 0 N--CA 1.416 -2.165 0 O-C-N 120.002 -1.686 . . . . 49.509999999999998 114.233 169.519 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 26.5 mt -73.27 -33.87 65.48 Favored 'General case' 0 C--N 1.27 -2.86 0 O-C-N 121.015 -1.053 . . . . 25.260000000000002 112.982 176.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.573 ' CE1' ' HE3' ' A' ' 15' ' ' LYS . 37.2 m-85 -63.98 -41.68 97.46 Favored 'General case' 0 CA--C 1.493 -1.225 0 O-C-N 118.705 -2.497 . . . . 39.0 114.567 165.109 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -61.8 -32.98 73.31 Favored 'General case' 0 C--O 1.167 -3.272 0 N-CA-C 115.272 1.582 . . . . 43.439999999999998 115.272 170.328 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 71.9 mt -69.67 -35.8 67.44 Favored 'Isoleucine or valine' 0 C--O 1.257 1.466 0 O-C-N 119.746 -1.846 . . . . 30.02 110.445 174.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.512 ' OE2' ' HD2' ' A' ' 18' ' ' HIS . 7.0 mm-40 -60.04 -48.05 83.33 Favored 'General case' 0 N--CA 1.422 -1.847 0 CA-C-O 125.222 2.439 . . . . 38.060000000000002 114.914 173.609 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ASN . . . . . 0.404 ' HB3' ' NH2' ' B' ' 25' ' ' ARG . 97.4 m-20 -51.66 -47.36 63.81 Favored 'General case' 0 CA--C 1.466 -2.283 0 O-C-N 118.689 -2.507 . . . . 45.600000000000001 116.411 169.501 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -59.39 -43.77 92.89 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 106.789 -1.56 . . . . 32.359999999999999 106.789 -178.659 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 95.4 mt -68.84 -34.87 76.21 Favored 'General case' 0 CA--C 1.624 3.822 0 CA-C-O 117.636 -1.174 . . . . 32.560000000000002 111.214 -175.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.7 -46.52 85.1 Favored 'General case' 0 CA--C 1.562 1.416 0 CA-C-N 120.325 1.42 . . . . 39.530000000000001 110.544 175.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ARG . . . . . 0.404 ' NH2' ' HB3' ' B' ' 21' ' ' ASN . 5.8 mtm180 -52.48 -56.82 12.53 Favored 'General case' 0 C--O 1.299 3.676 0 N-CA-C 116.099 1.888 . . . . 72.310000000000002 116.099 173.316 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 23.2 p -54.11 -44.63 71.44 Favored 'General case' 0 CA--C 1.568 1.662 0 C-N-CA 119.265 -0.974 . . . . 51.719999999999999 110.188 176.57 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.587 ' HE3' ' NH1' ' A' ' 25' ' ' ARG . 15.9 tttt -56.22 -49.88 72.86 Favored 'General case' 0 C--O 1.17 -3.125 0 N-CA-C 115.943 1.831 . . . . 55.93 115.943 170.885 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -60.22 -54.55 44.41 Favored 'General case' 0 CA--C 1.555 1.148 0 N-CA-C 106.921 -1.511 . . . . 62.810000000000002 106.921 178.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . 0.339 12.0 tp -44.84 -49.73 10.66 Favored 'General case' 0 CA--C 1.609 3.22 0 O-C-N 118.605 -2.559 . . . . 58.380000000000003 115.679 177.542 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 23.1 mt . . . . . 0 C--O 1.183 -2.408 0 N-CA-C 117.614 2.45 . . . . 63.390000000000001 117.614 162.658 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_