data_3qq6_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 3qq6 _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' -1' ' ' HIS . . . . . 0.849 ' CD2' ' CD1' ' B' ' 44' ' ' ILE . 30.2 m-70 . . . . . 0 N--CA 1.438 -1.049 0 CA-C-O 124.808 2.242 . . . . 80.579999999999998 107.591 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 0' ' ' HIS . . . . . 0.561 ' CD2' ' N ' ' A' ' 0' ' ' HIS . 0.1 OUTLIER -63.2 -12.15 26.24 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 112.082 -2.326 . . . . 75.260000000000005 111.051 166.434 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' MET . . . . . 0.506 ' CE ' ' CB ' ' A' ' 66' ' ' HIS . 85.0 mmm -99.71 -3.33 33.17 Favored 'General case' 0 C--O 1.195 -1.806 0 C-N-CA 116.097 -2.241 . . . . 44.520000000000003 115.657 -179.943 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.3 mt -56.88 -43.51 80.41 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.705 0 CA-C-N 118.599 0.636 . . . . 32.719999999999999 112.203 -176.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.34 -47.12 84.84 Favored Glycine 0 N--CA 1.474 1.176 0 CA-C-O 121.133 0.296 . . . . 26.84 113.628 176.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -62.57 -40.07 95.71 Favored 'General case' 0 C--O 1.266 1.924 0 N-CA-C 112.884 0.698 . . . . 45.460000000000001 112.884 179.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -67.15 -44.3 80.13 Favored 'General case' 0 CA--C 1.502 -0.883 0 C-N-CA 119.429 -0.908 . . . . 39.659999999999997 110.853 176.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.1 mt -56.6 -46.0 82.56 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 CA-C-O 122.95 1.357 . . . . 25.920000000000002 113.16 176.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -59.91 -45.59 92.06 Favored 'General case' 0 N--CA 1.436 -1.162 0 O-C-N 120.57 -1.331 . . . . 31.640000000000001 112.093 177.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -54.68 -55.12 33.09 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 117.8 0.273 . . . . 50.439999999999998 110.97 175.495 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' TYR . . . . . 0.427 ' OH ' ' OE2' ' A' ' 64' ' ' GLU 0.29 87.0 m-85 -68.3 -31.86 71.58 Favored 'General case' 0 C--O 1.247 0.927 0 C-N-CA 119.183 -1.007 . . . . 40.090000000000003 113.242 -174.67 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.8 ttp85 -60.48 -47.93 83.98 Favored 'General case' 0 CA--C 1.571 1.757 0 CA-C-O 122.43 1.109 . . . . 32.909999999999997 110.703 172.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -66.88 -35.8 80.85 Favored 'General case' 0 C--O 1.249 1.072 0 O-C-N 121.6 -0.688 . . . . 40.439999999999998 112.218 179.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -64.85 -18.99 65.64 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 113.318 0.859 . . . . 29.129999999999999 113.318 174.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -103.07 0.43 31.97 Favored 'General case' 0 CA--C 1.501 -0.915 0 CA-C-O 119.148 -0.453 . . . . 37.240000000000002 111.302 174.249 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.14 29.6 75.41 Favored Glycine 0 N--CA 1.48 1.603 0 N-CA-C 114.856 0.702 . . . . 29.030000000000001 114.856 179.6 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -91.72 140.28 29.86 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 121.69 -0.888 . . . . 35.759999999999998 111.569 174.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.4 p -75.8 166.43 23.54 Favored 'General case' 0 C--O 1.19 -2.057 0 O-C-N 124.298 0.999 . . . . 35.600000000000001 108.561 169.163 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.2 tt -54.78 -42.76 72.13 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 119.138 -0.458 . . . . 37.119999999999997 111.977 172.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.2 p -66.05 -32.43 73.9 Favored 'General case' 0 CA--C 1.501 -0.905 0 N-CA-C 115.628 1.714 . . . . 41.009999999999998 115.628 176.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -70.5 -43.54 69.48 Favored 'General case' 0 CA--C 1.489 -1.368 0 CA-C-O 121.425 0.631 . . . . 58.25 110.858 179.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.3 tp -62.9 -46.46 87.7 Favored 'General case' 0 N--CA 1.427 -1.615 0 C-N-CA 117.862 -1.535 . . . . 29.760000000000002 110.168 178.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.97 -48.35 81.85 Favored 'General case' 0 C--O 1.208 -1.092 0 N-CA-C 109.429 -0.582 . . . . 33.630000000000003 109.429 -176.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -55.39 -50.01 70.84 Favored 'General case' 0 C--O 1.245 0.864 0 N-CA-C 112.91 0.708 . . . . 61.609999999999999 112.91 173.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -71.61 -31.71 67.19 Favored 'General case' 0 C--O 1.253 1.258 0 O-C-N 120.136 -1.602 . . . . 44.840000000000003 112.277 -173.295 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.18 -19.38 31.83 Favored 'General case' 0 C--O 1.216 -0.678 0 C-N-CA 120.487 -0.485 . . . . 36.380000000000003 109.791 -176.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.91 39.85 37.49 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 112.117 -0.393 . . . . 36.68 112.117 -176.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.6 m -120.81 160.83 21.26 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.165 0 N-CA-C 106.55 -1.648 . . . . 33.189999999999998 106.55 179.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.81 137.97 44.18 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.459 -0.941 . . . . 33.75 108.459 -177.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -59.76 -37.22 78.41 Favored 'General case' 0 CA--C 1.507 -0.677 0 N-CA-C 113.318 0.858 . . . . 48.799999999999997 113.318 177.002 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.1 p -71.02 -34.1 70.99 Favored 'General case' 0 C--O 1.252 1.197 0 CA-C-O 122.03 0.919 . . . . 34.799999999999997 111.942 -177.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -64.89 -50.09 67.93 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.822 -0.549 . . . . 30.010000000000002 111.616 171.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.5 tp -57.92 -44.53 86.89 Favored 'General case' 0 C--O 1.204 -1.318 0 N-CA-C 109.063 -0.717 . . . . 28.07 109.063 178.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.7 t -67.34 -40.41 85.86 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-O 118.5 -0.762 . . . . 35.170000000000002 110.557 -178.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.4 m -56.51 -43.96 80.26 Favored 'General case' 0 C--O 1.289 3.153 0 N-CA-C 113.817 1.043 . . . . 27.109999999999999 113.817 173.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 35.9 mm -67.96 -47.37 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 CA-C-O 121.465 0.65 . . . . 30.640000000000001 111.063 179.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -59.05 -33.72 71.11 Favored 'General case' 0 C--O 1.205 -1.246 0 CA-C-O 117.925 -1.036 . . . . 32.450000000000003 112.094 177.228 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.6 mtm105 -87.78 -1.17 57.79 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 119.755 1.161 . . . . 57.880000000000003 113.976 -179.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 63.02 21.74 13.07 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 115.598 1.703 . . . . 47.829999999999998 115.598 -172.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.87 -33.79 75.42 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 123.311 0.645 . . . . 49.740000000000002 109.7 173.715 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -131.09 125.92 34.43 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 105.934 -1.876 . . . . 39.950000000000003 105.934 173.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 81.1 p -105.26 -2.17 24.39 Favored 'General case' 0 C--O 1.195 -1.797 0 N-CA-C 115.222 1.564 . . . . 37.210000000000001 115.222 177.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -114.49 87.38 13.91 Favored Pre-proline 0 C--N 1.329 -0.309 0 N-CA-C 112.532 0.567 . . . . 33.219999999999999 112.532 -179.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -80.25 162.4 22.75 Favored 'Trans proline' 0 C--O 1.191 -1.863 0 C-N-CA 121.615 1.543 . . . . 27.850000000000001 113.869 178.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.4 p -85.87 153.17 22.42 Favored 'General case' 0 N--CA 1.429 -1.487 0 CA-C-N 115.448 -0.796 . . . . 29.43 111.494 176.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.3 tp -63.89 -37.47 79.85 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.792 0 CA-C-O 118.705 -0.664 . . . . 25.239999999999998 111.448 -175.52 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -73.35 -29.61 62.76 Favored 'General case' 0 N--CA 1.505 2.283 0 C-N-CA 118.521 -1.271 . . . . 43.420000000000002 113.723 -178.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -57.23 -52.73 64.15 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 122.232 -0.293 . . . . 27.0 110.242 168.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.9 mt -61.21 -39.2 89.37 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-O 121.407 0.622 . . . . 27.460000000000001 112.108 -178.577 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -63.88 -44.1 94.07 Favored 'General case' 0 CA--C 1.497 -1.068 0 CA-C-N 116.287 -0.415 . . . . 41.740000000000002 110.876 176.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -74.08 -43.51 57.42 Favored 'General case' 0 CA--C 1.553 1.086 0 CA-C-O 121.23 0.538 . . . . 45.979999999999997 110.353 -174.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 52.9 t -59.75 -46.26 93.72 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.177 0 O-C-N 121.298 -0.876 . . . . 25.739999999999998 109.59 173.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.3 p -65.82 -31.78 72.93 Favored 'General case' 0 C--O 1.212 -0.885 0 O-C-N 120.048 -1.657 . . . . 35.030000000000001 112.778 -171.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.92 -47.49 83.04 Favored 'General case' 0 N--CA 1.435 -1.176 0 C-N-CA 123.59 0.756 . . . . 37.829999999999998 110.747 174.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 75.2 t -65.92 -33.2 61.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 CA-C-O 121.209 0.528 . . . . 32.390000000000001 111.656 -177.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 76.7 mt -93.52 0.03 56.51 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 116.63 2.085 . . . . 28.23 116.63 -176.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 62.87 39.69 10.35 Favored 'General case' 0 C--O 1.245 0.84 0 N-CA-C 114.3 1.222 . . . . 44.450000000000003 114.3 177.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.4 m -133.83 170.29 20.09 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.261 0 N-CA-C 107.199 -1.408 . . . . 34.759999999999998 107.199 172.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.8 t -87.33 156.7 19.5 Favored 'General case' 0 CA--C 1.49 -1.356 0 N-CA-C 108.258 -1.016 . . . . 38.740000000000002 108.258 177.026 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.2 t -55.53 -36.24 40.99 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.997 0 C-N-CA 120.486 -0.486 . . . . 32.68 110.307 167.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' HIS . . . . . 0.52 ' NE2' ' OD2' ' B' ' 63' ' ' ASP . 74.0 m-70 -63.81 -31.12 72.19 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 112.928 0.714 . . . . 36.32 112.928 -177.583 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 88.3 m -66.81 -42.41 85.94 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 122.652 0.381 . . . . 31.350000000000001 111.697 176.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 33.6 mt -63.24 -32.72 74.2 Favored 'General case' 0 C--O 1.21 -1.015 0 O-C-N 124.531 1.144 . . . . 29.379999999999999 110.061 179.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 58.5 mt -89.86 -24.4 21.4 Favored 'General case' 0 C--O 1.198 -1.618 0 N-CA-C 116.702 2.112 . . . . 39.770000000000003 116.702 178.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -137.88 -16.99 1.26 Allowed 'General case' 0 C--O 1.197 -1.671 0 N-CA-C 118.784 2.883 . . . . 61.810000000000002 118.784 -165.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLU . . . . . 0.427 ' OE2' ' OH ' ' A' ' 9' ' ' TYR . 25.6 tt0 -55.37 136.03 49.68 Favored 'General case' 0 C--N 1.311 -1.089 0 O-C-N 120.773 -1.205 . . . . 49.490000000000002 110.598 177.462 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -68.66 106.68 2.7 Favored 'General case' 0 N--CA 1.428 -1.566 0 N-CA-C 106.354 -1.721 . . . . 65.25 106.354 -178.281 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' HIS . . . . . 0.506 ' CB ' ' CE ' ' A' ' 1' ' ' MET . 2.4 t-80 -80.51 -56.27 4.29 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 107.057 -1.46 . . . . 84.920000000000002 107.057 172.532 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLU . . . . . 0.798 ' OE2' ' CA ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.313 -1.011 0 N-CA-C 114.505 1.298 . . . . 104.2 114.505 162.079 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' -3' ' ' HIS . . . . . . . . . . . . . 14.4 t60 . . . . . 0 CA--C 1.555 1.172 0 CA-C-O 119.901 -0.095 . . . . 83.730000000000004 110.753 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' -2' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -55.97 -38.15 70.01 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 113.158 0.799 . . . . 53.670000000000002 113.158 -179.749 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 18.8 p-80 -65.52 -17.76 64.81 Favored 'General case' 0 C--O 1.25 1.095 0 N-CA-C 115.161 1.541 . . . . 49.439999999999998 115.161 -172.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 0' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -72.98 -31.66 64.67 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 123.682 0.614 . . . . 59.880000000000003 112.303 -172.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 29.1 mtm -110.84 8.78 22.44 Favored 'General case' 0 N--CA 1.443 -0.776 0 C-N-CA 118.663 -1.215 . . . . 50.460000000000001 112.601 -176.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' ILE . . . . . 0.602 ' CD1' ' CD2' ' B' ' 47' ' ' LEU . 3.0 tt -58.28 -45.21 89.27 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 C-N-CA 119.458 -0.897 . . . . 32.600000000000001 111.398 -177.531 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.83 -50.48 67.1 Favored Glycine 0 CA--C 1.495 -1.159 0 CA-C-O 122.719 1.177 . . . . 28.550000000000001 113.444 179.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -55.52 -40.86 72.33 Favored 'General case' 0 C--O 1.209 -1.062 0 CA-C-N 113.505 -1.348 . . . . 63.909999999999997 112.461 178.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ARG . . . . . 0.486 ' NE ' ' O ' ' B' ' 60' ' ' THR . 64.6 mtp85 -74.82 -41.33 60.13 Favored 'General case' 0 C--O 1.271 2.192 0 N-CA-C 113.212 0.819 . . . . 67.209999999999994 113.212 178.884 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 97.2 mt -54.56 -49.73 64.36 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.421 0 C-N-CA 117.404 -1.718 . . . . 27.390000000000001 113.174 167.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 19.0 tttp -58.69 -45.64 89.02 Favored 'General case' 0 C--O 1.253 1.27 0 O-C-N 121.31 -0.869 . . . . 50.740000000000002 112.093 176.666 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -50.0 -54.17 21.84 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 112.727 0.639 . . . . 56.509999999999998 112.727 173.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -79.95 -20.45 45.57 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 115.451 1.649 . . . . 46.5 115.451 -174.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 67.2 ttp85 -68.61 -46.52 69.09 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 108.009 -1.108 . . . . 35.869999999999997 108.009 172.338 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 33.0 mttm -63.62 -35.13 79.51 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.365 -0.834 . . . . 48.359999999999999 110.499 -176.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -60.49 -31.77 70.8 Favored 'General case' 0 C--O 1.243 0.739 0 N-CA-C 113.885 1.069 . . . . 50.829999999999998 113.885 174.055 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' LYS . . . . . 0.53 ' NZ ' ' OD2' ' B' ' 55' ' ' ASP . 10.2 mttt -90.21 -4.17 57.39 Favored 'General case' 0 C--O 1.253 1.268 0 CA-C-O 120.929 0.395 . . . . 52.600000000000001 111.833 175.706 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.16 20.31 77.54 Favored Glycine 0 N--CA 1.474 1.195 0 N-CA-C 115.452 0.941 . . . . 36.770000000000003 115.452 -177.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' TYR . . . . . 0.52 ' CE1' ' NZ ' ' B' ' 23' ' ' LYS . 16.6 m-30 -88.8 135.49 33.49 Favored 'General case' 0 CA--C 1.48 -1.717 0 CA-C-N 117.274 0.537 . . . . 39.960000000000001 111.186 -171.705 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 92.8 p -69.4 161.0 30.3 Favored 'General case' 0 N--CA 1.434 -1.244 0 CA-C-O 122.143 0.973 . . . . 30.48 109.993 162.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 22.6 mt -51.21 -41.93 60.59 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 114.821 -1.081 . . . . 38.469999999999999 111.672 167.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 48.8 m -65.55 -40.9 93.4 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 112.59 0.589 . . . . 33.450000000000003 112.59 179.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -70.21 -37.8 75.15 Favored 'General case' 0 C--O 1.201 -1.492 0 C-N-CA 119.705 -0.798 . . . . 37.350000000000001 108.858 -179.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 23.5 tp -68.07 -41.21 82.29 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 118.163 -1.415 . . . . 27.129999999999999 112.085 177.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.51 -40.93 79.8 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.317 0.58 . . . . 25.809999999999999 111.346 175.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -68.32 -46.19 70.9 Favored 'General case' 0 CA--C 1.499 -1.004 0 O-C-N 120.435 -1.415 . . . . 40.979999999999997 112.544 178.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' LYS . . . . . 0.52 ' NZ ' ' CE1' ' B' ' 15' ' ' TYR . 49.4 mttt -70.68 -36.9 73.56 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 120.645 -0.422 . . . . 46.219999999999999 111.124 -173.5 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.98 -18.89 35.7 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 112.526 0.565 . . . . 27.57 112.526 -179.048 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.52 50.88 10.54 Favored Glycine 0 C--N 1.35 1.346 0 N-CA-C 110.539 -1.025 . . . . 25.379999999999999 110.539 -178.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 33.4 m -137.36 160.94 35.16 Favored 'Isoleucine or valine' 0 C--O 1.269 2.106 0 N-CA-C 106.549 -1.649 . . . . 26.690000000000001 106.549 -177.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.05 134.21 45.71 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-O 121.912 0.863 . . . . 25.629999999999999 110.77 -179.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -60.93 -40.99 95.3 Favored 'General case' 0 CA--C 1.496 -1.102 0 CA-C-N 116.0 -0.546 . . . . 36.109999999999999 111.046 178.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 52.4 p -56.72 -42.07 78.56 Favored 'General case' 0 N--CA 1.505 2.284 0 N-CA-C 115.98 1.844 . . . . 30.469999999999999 115.98 174.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -68.01 -46.13 72.11 Favored 'General case' 0 CA--C 1.496 -1.125 0 CA-C-N 115.35 -0.841 . . . . 26.879999999999999 110.976 177.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.49 -47.38 84.28 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 122.062 -0.399 . . . . 31.859999999999999 111.316 177.079 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 30.3 t -58.9 -46.27 88.28 Favored 'General case' 0 N--CA 1.431 -1.396 0 N-CA-C 108.62 -0.882 . . . . 29.079999999999998 108.62 178.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 63.5 m -54.88 -43.94 73.61 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 113.874 1.065 . . . . 26.620000000000001 113.874 176.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' ILE . . . . . 0.833 ' CD1' ' CE1' ' B' ' 46' ' ' PHE . 4.8 mm -59.27 -51.5 71.88 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 C-N-CA 123.537 0.735 . . . . 25.420000000000002 111.316 176.328 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -62.89 -31.82 72.95 Favored 'General case' 0 CA--C 1.564 1.488 0 C-N-CA 123.061 0.544 . . . . 37.789999999999999 112.112 178.022 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 3.7 mtm180 -91.95 13.81 17.54 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.528 0.566 . . . . 38.450000000000003 112.528 179.739 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 54.79 23.91 5.26 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 112.761 0.652 . . . . 61.340000000000003 112.761 179.179 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.12 -32.87 22.54 Favored 'General case' 0 CA--C 1.57 1.712 0 CA-C-O 122.581 1.182 . . . . 35.18 111.546 177.357 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -113.48 125.35 54.12 Favored 'General case' 0 N--CA 1.436 -1.161 0 N-CA-C 106.695 -1.594 . . . . 36.890000000000001 106.695 171.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 38.0 p -124.33 19.27 8.96 Favored 'General case' 0 N--CA 1.426 -1.657 0 N-CA-C 112.909 0.707 . . . . 33.719999999999999 112.909 -173.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -138.29 53.35 5.73 Favored Pre-proline 0 CA--C 1.462 -2.404 0 N-CA-C 113.447 0.906 . . . . 29.469999999999999 113.447 -173.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -69.91 163.72 37.33 Favored 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 113.812 -3.659 . . . . 23.010000000000002 114.596 178.076 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 19.7 p -88.48 161.77 16.82 Favored 'General case' 0 N--CA 1.401 -2.881 0 CA-C-O 123.947 1.832 . . . . 28.199999999999999 109.564 177.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' ILE . . . . . 0.849 ' CD1' ' CD2' ' A' ' -1' ' ' HIS . 0.0 OUTLIER -67.71 -34.28 66.87 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.943 0 C-N-CA 117.656 -1.618 . . . . 37.049999999999997 111.82 -179.487 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.41 -30.89 71.36 Favored 'General case' 0 N--CA 1.505 2.302 0 C-N-CA 117.957 -1.497 . . . . 53.149999999999999 112.241 175.866 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' PHE . . . . . 0.833 ' CE1' ' CD1' ' B' ' 34' ' ' ILE . 66.3 t80 -61.88 -42.7 99.38 Favored 'General case' 0 C--O 1.253 1.244 0 O-C-N 119.501 -2.0 . . . . 28.780000000000001 110.124 171.395 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' LEU . . . . . 0.602 ' CD2' ' CD1' ' B' ' 2' ' ' ILE . 96.3 mt -69.97 -34.28 73.18 Favored 'General case' 0 C--O 1.212 -0.886 0 N-CA-C 108.371 -0.974 . . . . 29.879999999999999 108.371 -174.165 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' GLU . . . . . 0.427 ' OE1' ' CD2' ' A' ' -1' ' ' HIS . 0.1 OUTLIER -65.27 -42.54 93.09 Favored 'General case' 0 CA--C 1.49 -1.362 0 N-CA-C 109.839 -0.43 . . . . 61.920000000000002 109.839 -179.659 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -63.75 -48.35 77.36 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 124.639 1.212 . . . . 46.549999999999997 111.381 -179.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 63.6 t -67.71 -46.88 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.964 0 N-CA-C 113.495 0.924 . . . . 27.370000000000001 113.495 178.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 95.4 p -58.76 -43.01 90.24 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 121.115 -0.991 . . . . 31.73 111.881 177.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.48 -52.34 62.21 Favored 'General case' 0 C--N 1.293 -1.877 0 C-N-CA 117.942 -1.503 . . . . 38.799999999999997 112.189 178.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.0 t -57.75 -34.17 47.18 Favored 'Isoleucine or valine' 0 C--O 1.241 0.635 0 C-N-CA 123.817 0.847 . . . . 36.159999999999997 112.804 179.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 91.6 mt -88.05 0.39 56.03 Favored 'General case' 0 CA--C 1.56 1.338 0 N-CA-C 116.537 2.051 . . . . 37.450000000000003 116.537 -179.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' ASP . . . . . 0.53 ' OD2' ' NZ ' ' B' ' 13' ' ' LYS . 63.1 m-20 60.59 32.72 20.44 Favored 'General case' 0 CA--C 1.491 -1.309 0 N-CA-C 116.096 1.887 . . . . 56.109999999999999 116.096 -177.648 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.3 m -122.4 169.17 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.343 0 N-CA-C 107.006 -1.479 . . . . 38.020000000000003 107.006 174.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 9.6 t -85.39 149.62 25.3 Favored 'General case' 0 C--O 1.214 -0.811 0 CA-C-N 114.669 -1.15 . . . . 38.899999999999999 110.817 176.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 93.5 t -50.05 -39.36 15.75 Favored 'Isoleucine or valine' 0 C--O 1.254 1.33 0 CA-C-N 120.27 1.396 . . . . 40.329999999999998 111.844 166.158 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' HIS . . . . . 0.497 ' ND1' ' CE1' ' A' ' 59' ' ' HIS . 54.8 t60 -56.97 -38.43 72.99 Favored 'General case' 0 C--O 1.27 2.134 0 CA-C-O 122.091 0.948 . . . . 52.32 110.458 -177.19 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' THR . . . . . 0.486 ' O ' ' NE ' ' B' ' 5' ' ' ARG . 52.1 m -65.97 -37.82 86.97 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 113.314 -1.766 . . . . 42.200000000000003 111.756 -177.855 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 23.5 mt -69.65 -31.99 70.39 Favored 'General case' 0 C--O 1.209 -1.059 0 N-CA-C 113.418 0.895 . . . . 35.310000000000002 113.418 171.674 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 79.4 mt -85.6 -25.72 26.51 Favored 'General case' 0 C--O 1.258 1.519 0 O-C-N 121.356 -0.84 . . . . 43.880000000000003 112.885 -178.541 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' ASP . . . . . 0.52 ' OD2' ' NE2' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -144.26 110.27 5.39 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 124.477 1.11 . . . . 58.340000000000003 111.014 -168.549 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' B' ' 85' ' ' HOH . 1.2 mt-10 . . . . . 0 N--CA 1.48 1.039 0 C-N-CA 123.157 0.583 . . . . 80.969999999999999 112.36 178.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' HOH . . . . . 0.438 ' O ' ' C ' ' B' ' 64' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' -1' ' ' HIS . . . . . 0.849 ' CD2' ' CD1' ' B' ' 44' ' ' ILE . 30.2 m-70 . . . . . 0 N--CA 1.438 -1.049 0 CA-C-O 124.808 2.242 . . . . 80.579999999999998 107.591 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.2 -12.15 26.24 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 112.082 -2.326 . . . . 75.260000000000005 111.051 166.434 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . 0.924 ' CE ' ' HB3' ' A' ' 66' ' ' HIS . 85.0 mmm -99.71 -3.33 33.17 Favored 'General case' 0 C--O 1.195 -1.806 0 C-N-CA 116.097 -2.241 . . . . 44.520000000000003 115.657 -179.943 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ILE . . . . . 0.426 HD11 ' HB3' ' A' ' -1' ' ' HIS . 67.3 mt -56.88 -43.51 80.41 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.705 0 CA-C-N 118.599 0.636 . . . . 32.719999999999999 112.203 -176.535 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.34 -47.12 84.84 Favored Glycine 0 N--CA 1.474 1.176 0 CA-C-O 121.133 0.296 . . . . 26.84 113.628 176.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -62.57 -40.07 95.71 Favored 'General case' 0 C--O 1.266 1.924 0 N-CA-C 112.884 0.698 . . . . 45.460000000000001 112.884 179.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -67.15 -44.3 80.13 Favored 'General case' 0 CA--C 1.502 -0.883 0 C-N-CA 119.429 -0.908 . . . . 39.659999999999997 110.853 176.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.1 mt -56.6 -46.0 82.56 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 CA-C-O 122.95 1.357 . . . . 25.920000000000002 113.16 176.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -59.91 -45.59 92.06 Favored 'General case' 0 N--CA 1.436 -1.162 0 O-C-N 120.57 -1.331 . . . . 31.640000000000001 112.093 177.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -54.68 -55.12 33.09 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 117.8 0.273 . . . . 50.439999999999998 110.97 175.495 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' TYR . . . . . 0.404 ' OH ' ' OE2' ' A' ' 64' ' ' GLU 0.29 87.0 m-85 -68.3 -31.86 71.58 Favored 'General case' 0 C--O 1.247 0.927 0 C-N-CA 119.183 -1.007 . . . . 40.090000000000003 113.242 -174.67 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.8 ttp85 -60.48 -47.93 83.98 Favored 'General case' 0 CA--C 1.571 1.757 0 CA-C-O 122.43 1.109 . . . . 32.909999999999997 110.703 172.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -66.88 -35.8 80.85 Favored 'General case' 0 C--O 1.249 1.072 0 O-C-N 121.6 -0.688 . . . . 40.439999999999998 112.218 179.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -64.85 -18.99 65.64 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 113.318 0.859 . . . . 29.129999999999999 113.318 174.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -103.07 0.43 31.97 Favored 'General case' 0 CA--C 1.501 -0.915 0 CA-C-O 119.148 -0.453 . . . . 37.240000000000002 111.302 174.249 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.14 29.6 75.41 Favored Glycine 0 N--CA 1.48 1.603 0 N-CA-C 114.856 0.702 . . . . 29.030000000000001 114.856 179.6 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -91.72 140.28 29.86 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 121.69 -0.888 . . . . 35.759999999999998 111.569 174.542 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.4 p -75.8 166.43 23.54 Favored 'General case' 0 C--O 1.19 -2.057 0 O-C-N 124.298 0.999 . . . . 35.600000000000001 108.561 169.163 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.2 tt -54.78 -42.76 72.13 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 119.138 -0.458 . . . . 37.119999999999997 111.977 172.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.2 p -66.05 -32.43 73.9 Favored 'General case' 0 CA--C 1.501 -0.905 0 N-CA-C 115.628 1.714 . . . . 41.009999999999998 115.628 176.136 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -70.5 -43.54 69.48 Favored 'General case' 0 CA--C 1.489 -1.368 0 CA-C-O 121.425 0.631 . . . . 58.25 110.858 179.45 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.3 tp -62.9 -46.46 87.7 Favored 'General case' 0 N--CA 1.427 -1.615 0 C-N-CA 117.862 -1.535 . . . . 29.760000000000002 110.168 178.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.97 -48.35 81.85 Favored 'General case' 0 C--O 1.208 -1.092 0 N-CA-C 109.429 -0.582 . . . . 33.630000000000003 109.429 -176.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -55.39 -50.01 70.84 Favored 'General case' 0 C--O 1.245 0.864 0 N-CA-C 112.91 0.708 . . . . 61.609999999999999 112.91 173.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -71.61 -31.71 67.19 Favored 'General case' 0 C--O 1.253 1.258 0 O-C-N 120.136 -1.602 . . . . 44.840000000000003 112.277 -173.295 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.18 -19.38 31.83 Favored 'General case' 0 C--O 1.216 -0.678 0 C-N-CA 120.487 -0.485 . . . . 36.380000000000003 109.791 -176.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.91 39.85 37.49 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 112.117 -0.393 . . . . 36.68 112.117 -176.93 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.6 m -120.81 160.83 21.26 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.165 0 N-CA-C 106.55 -1.648 . . . . 33.189999999999998 106.55 179.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.81 137.97 44.18 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.459 -0.941 . . . . 33.75 108.459 -177.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -59.76 -37.22 78.41 Favored 'General case' 0 CA--C 1.507 -0.677 0 N-CA-C 113.318 0.858 . . . . 48.799999999999997 113.318 177.002 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.1 p -71.02 -34.1 70.99 Favored 'General case' 0 C--O 1.252 1.197 0 CA-C-O 122.03 0.919 . . . . 34.799999999999997 111.942 -177.503 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -64.89 -50.09 67.93 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.822 -0.549 . . . . 30.010000000000002 111.616 171.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.5 tp -57.92 -44.53 86.89 Favored 'General case' 0 C--O 1.204 -1.318 0 N-CA-C 109.063 -0.717 . . . . 28.07 109.063 178.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.7 t -67.34 -40.41 85.86 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-O 118.5 -0.762 . . . . 35.170000000000002 110.557 -178.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.4 m -56.51 -43.96 80.26 Favored 'General case' 0 C--O 1.289 3.153 0 N-CA-C 113.817 1.043 . . . . 27.109999999999999 113.817 173.378 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 35.9 mm -67.96 -47.37 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 CA-C-O 121.465 0.65 . . . . 30.640000000000001 111.063 179.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -59.05 -33.72 71.11 Favored 'General case' 0 C--O 1.205 -1.246 0 CA-C-O 117.925 -1.036 . . . . 32.450000000000003 112.094 177.228 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.6 mtm105 -87.78 -1.17 57.79 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 119.755 1.161 . . . . 57.880000000000003 113.976 -179.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 63.02 21.74 13.07 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 115.598 1.703 . . . . 47.829999999999998 115.598 -172.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.87 -33.79 75.42 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 123.311 0.645 . . . . 49.740000000000002 109.7 173.715 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -131.09 125.92 34.43 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 105.934 -1.876 . . . . 39.950000000000003 105.934 173.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 81.1 p -105.26 -2.17 24.39 Favored 'General case' 0 C--O 1.195 -1.797 0 N-CA-C 115.222 1.564 . . . . 37.210000000000001 115.222 177.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -114.49 87.38 13.91 Favored Pre-proline 0 C--N 1.329 -0.309 0 N-CA-C 112.532 0.567 . . . . 33.219999999999999 112.532 -179.636 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -80.25 162.4 22.75 Favored 'Trans proline' 0 C--O 1.191 -1.863 0 C-N-CA 121.615 1.543 . . . . 27.850000000000001 113.869 178.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.4 p -85.87 153.17 22.42 Favored 'General case' 0 N--CA 1.429 -1.487 0 CA-C-N 115.448 -0.796 . . . . 29.43 111.494 176.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.3 tp -63.89 -37.47 79.85 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.792 0 CA-C-O 118.705 -0.664 . . . . 25.239999999999998 111.448 -175.52 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -73.35 -29.61 62.76 Favored 'General case' 0 N--CA 1.505 2.283 0 C-N-CA 118.521 -1.271 . . . . 43.420000000000002 113.723 -178.08 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -57.23 -52.73 64.15 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 122.232 -0.293 . . . . 27.0 110.242 168.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.9 mt -61.21 -39.2 89.37 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-O 121.407 0.622 . . . . 27.460000000000001 112.108 -178.577 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -63.88 -44.1 94.07 Favored 'General case' 0 CA--C 1.497 -1.068 0 CA-C-N 116.287 -0.415 . . . . 41.740000000000002 110.876 176.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -74.08 -43.51 57.42 Favored 'General case' 0 CA--C 1.553 1.086 0 CA-C-O 121.23 0.538 . . . . 45.979999999999997 110.353 -174.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 52.9 t -59.75 -46.26 93.72 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.177 0 O-C-N 121.298 -0.876 . . . . 25.739999999999998 109.59 173.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.3 p -65.82 -31.78 72.93 Favored 'General case' 0 C--O 1.212 -0.885 0 O-C-N 120.048 -1.657 . . . . 35.030000000000001 112.778 -171.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.92 -47.49 83.04 Favored 'General case' 0 N--CA 1.435 -1.176 0 C-N-CA 123.59 0.756 . . . . 37.829999999999998 110.747 174.354 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 75.2 t -65.92 -33.2 61.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 CA-C-O 121.209 0.528 . . . . 32.390000000000001 111.656 -177.646 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 76.7 mt -93.52 0.03 56.51 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 116.63 2.085 . . . . 28.23 116.63 -176.204 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 62.87 39.69 10.35 Favored 'General case' 0 C--O 1.245 0.84 0 N-CA-C 114.3 1.222 . . . . 44.450000000000003 114.3 177.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.4 m -133.83 170.29 20.09 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.261 0 N-CA-C 107.199 -1.408 . . . . 34.759999999999998 107.199 172.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.8 t -87.33 156.7 19.5 Favored 'General case' 0 CA--C 1.49 -1.356 0 N-CA-C 108.258 -1.016 . . . . 38.740000000000002 108.258 177.026 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.2 t -55.53 -36.24 40.99 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.997 0 C-N-CA 120.486 -0.486 . . . . 32.68 110.307 167.083 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' HIS . . . . . 0.674 ' CE1' ' HD1' ' B' ' 59' ' ' HIS . 74.0 m-70 -63.81 -31.12 72.19 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 112.928 0.714 . . . . 36.32 112.928 -177.583 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 88.3 m -66.81 -42.41 85.94 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 122.652 0.381 . . . . 31.350000000000001 111.697 176.334 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 33.6 mt -63.24 -32.72 74.2 Favored 'General case' 0 C--O 1.21 -1.015 0 O-C-N 124.531 1.144 . . . . 29.379999999999999 110.061 179.672 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 58.5 mt -89.86 -24.4 21.4 Favored 'General case' 0 C--O 1.198 -1.618 0 N-CA-C 116.702 2.112 . . . . 39.770000000000003 116.702 178.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -137.88 -16.99 1.26 Allowed 'General case' 0 C--O 1.197 -1.671 0 N-CA-C 118.784 2.883 . . . . 61.810000000000002 118.784 -165.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLU . . . . . 0.404 ' OE2' ' OH ' ' A' ' 9' ' ' TYR . 25.6 tt0 -55.37 136.03 49.68 Favored 'General case' 0 C--N 1.311 -1.089 0 O-C-N 120.773 -1.205 . . . . 49.490000000000002 110.598 177.462 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -68.66 106.68 2.7 Favored 'General case' 0 N--CA 1.428 -1.566 0 N-CA-C 106.354 -1.721 . . . . 65.25 106.354 -178.281 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' HIS . . . . . 0.924 ' HB3' ' CE ' ' A' ' 1' ' ' MET . 2.4 t-80 -80.51 -56.27 4.29 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 107.057 -1.46 . . . . 84.920000000000002 107.057 172.532 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLU . . . . . 0.937 ' OE2' ' HA ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.313 -1.011 0 N-CA-C 114.505 1.298 . . . . 104.2 114.505 162.079 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' -3' ' ' HIS . . . . . . . . . . . . . 14.4 t60 . . . . . 0 CA--C 1.555 1.172 0 CA-C-O 119.901 -0.095 . . . . 83.730000000000004 110.753 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' -2' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -55.97 -38.15 70.01 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 113.158 0.799 . . . . 53.670000000000002 113.158 -179.749 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' -1' ' ' HIS . . . . . 0.431 ' O ' HG22 ' B' ' 2' ' ' ILE . 18.8 p-80 -65.52 -17.76 64.81 Favored 'General case' 0 C--O 1.25 1.095 0 N-CA-C 115.161 1.541 . . . . 49.439999999999998 115.161 -172.725 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 0' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -72.98 -31.66 64.67 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 123.682 0.614 . . . . 59.880000000000003 112.303 -172.498 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 29.1 mtm -110.84 8.78 22.44 Favored 'General case' 0 N--CA 1.443 -0.776 0 C-N-CA 118.663 -1.215 . . . . 50.460000000000001 112.601 -176.315 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' ILE . . . . . 1.018 HD11 HD22 ' B' ' 47' ' ' LEU . 3.0 tt -58.28 -45.21 89.27 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 C-N-CA 119.458 -0.897 . . . . 32.600000000000001 111.398 -177.531 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.83 -50.48 67.1 Favored Glycine 0 CA--C 1.495 -1.159 0 CA-C-O 122.719 1.177 . . . . 28.550000000000001 113.444 179.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -55.52 -40.86 72.33 Favored 'General case' 0 C--O 1.209 -1.062 0 CA-C-N 113.505 -1.348 . . . . 63.909999999999997 112.461 178.647 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ARG . . . . . 0.488 ' HD2' ' HG2' ' B' ' 64' ' ' GLU . 64.6 mtp85 -74.82 -41.33 60.13 Favored 'General case' 0 C--O 1.271 2.192 0 N-CA-C 113.212 0.819 . . . . 67.209999999999994 113.212 178.884 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 97.2 mt -54.56 -49.73 64.36 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.421 0 C-N-CA 117.404 -1.718 . . . . 27.390000000000001 113.174 167.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 19.0 tttp -58.69 -45.64 89.02 Favored 'General case' 0 C--O 1.253 1.27 0 O-C-N 121.31 -0.869 . . . . 50.740000000000002 112.093 176.666 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -50.0 -54.17 21.84 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 112.727 0.639 . . . . 56.509999999999998 112.727 173.116 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -79.95 -20.45 45.57 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 115.451 1.649 . . . . 46.5 115.451 -174.694 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 67.2 ttp85 -68.61 -46.52 69.09 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 108.009 -1.108 . . . . 35.869999999999997 108.009 172.338 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 33.0 mttm -63.62 -35.13 79.51 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.365 -0.834 . . . . 48.359999999999999 110.499 -176.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -60.49 -31.77 70.8 Favored 'General case' 0 C--O 1.243 0.739 0 N-CA-C 113.885 1.069 . . . . 50.829999999999998 113.885 174.055 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' LYS . . . . . 0.472 ' NZ ' ' OD2' ' B' ' 55' ' ' ASP . 10.2 mttt -90.21 -4.17 57.39 Favored 'General case' 0 C--O 1.253 1.268 0 CA-C-O 120.929 0.395 . . . . 52.600000000000001 111.833 175.706 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.16 20.31 77.54 Favored Glycine 0 N--CA 1.474 1.195 0 N-CA-C 115.452 0.941 . . . . 36.770000000000003 115.452 -177.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' TYR . . . . . 0.517 ' CE1' ' NZ ' ' B' ' 23' ' ' LYS . 16.6 m-30 -88.8 135.49 33.49 Favored 'General case' 0 CA--C 1.48 -1.717 0 CA-C-N 117.274 0.537 . . . . 39.960000000000001 111.186 -171.705 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 16' ' ' SER . . . . . 0.44 ' OG ' ' HG3' ' B' ' 19' ' ' GLU . 92.8 p -69.4 161.0 30.3 Favored 'General case' 0 N--CA 1.434 -1.244 0 CA-C-O 122.143 0.973 . . . . 30.48 109.993 162.433 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 22.6 mt -51.21 -41.93 60.59 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 114.821 -1.081 . . . . 38.469999999999999 111.672 167.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 48.8 m -65.55 -40.9 93.4 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 112.59 0.589 . . . . 33.450000000000003 112.59 179.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' GLU . . . . . 0.44 ' HG3' ' OG ' ' B' ' 16' ' ' SER . 32.3 mt-10 -70.21 -37.8 75.15 Favored 'General case' 0 C--O 1.201 -1.492 0 C-N-CA 119.705 -0.798 . . . . 37.350000000000001 108.858 -179.935 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 23.5 tp -68.07 -41.21 82.29 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 118.163 -1.415 . . . . 27.129999999999999 112.085 177.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.51 -40.93 79.8 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.317 0.58 . . . . 25.809999999999999 111.346 175.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -68.32 -46.19 70.9 Favored 'General case' 0 CA--C 1.499 -1.004 0 O-C-N 120.435 -1.415 . . . . 40.979999999999997 112.544 178.68 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' LYS . . . . . 0.517 ' NZ ' ' CE1' ' B' ' 15' ' ' TYR . 49.4 mttt -70.68 -36.9 73.56 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 120.645 -0.422 . . . . 46.219999999999999 111.124 -173.5 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.98 -18.89 35.7 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 112.526 0.565 . . . . 27.57 112.526 -179.048 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.52 50.88 10.54 Favored Glycine 0 C--N 1.35 1.346 0 N-CA-C 110.539 -1.025 . . . . 25.379999999999999 110.539 -178.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 33.4 m -137.36 160.94 35.16 Favored 'Isoleucine or valine' 0 C--O 1.269 2.106 0 N-CA-C 106.549 -1.649 . . . . 26.690000000000001 106.549 -177.363 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.05 134.21 45.71 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-O 121.912 0.863 . . . . 25.629999999999999 110.77 -179.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -60.93 -40.99 95.3 Favored 'General case' 0 CA--C 1.496 -1.102 0 CA-C-N 116.0 -0.546 . . . . 36.109999999999999 111.046 178.427 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 52.4 p -56.72 -42.07 78.56 Favored 'General case' 0 N--CA 1.505 2.284 0 N-CA-C 115.98 1.844 . . . . 30.469999999999999 115.98 174.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' TYR . . . . . 0.455 ' CE1' ' HG2' ' B' ' 39' ' ' GLN . 49.3 t80 -68.01 -46.13 72.11 Favored 'General case' 0 CA--C 1.496 -1.125 0 CA-C-N 115.35 -0.841 . . . . 26.879999999999999 110.976 177.582 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.49 -47.38 84.28 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 122.062 -0.399 . . . . 31.859999999999999 111.316 177.079 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 30.3 t -58.9 -46.27 88.28 Favored 'General case' 0 N--CA 1.431 -1.396 0 N-CA-C 108.62 -0.882 . . . . 29.079999999999998 108.62 178.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 63.5 m -54.88 -43.94 73.61 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 113.874 1.065 . . . . 26.620000000000001 113.874 176.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' ILE . . . . . 0.833 ' CD1' ' CE1' ' B' ' 46' ' ' PHE . 4.8 mm -59.27 -51.5 71.88 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 C-N-CA 123.537 0.735 . . . . 26.120000000000001 111.316 176.328 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -62.89 -31.82 72.95 Favored 'General case' 0 CA--C 1.564 1.488 0 C-N-CA 123.061 0.544 . . . . 37.789999999999999 112.112 178.022 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 3.7 mtm180 -91.95 13.81 17.54 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.528 0.566 . . . . 38.450000000000003 112.528 179.739 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 5.0 t30 54.79 23.91 5.26 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 112.761 0.652 . . . . 61.340000000000003 112.761 179.179 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.12 -32.87 22.54 Favored 'General case' 0 CA--C 1.57 1.712 0 CA-C-O 122.581 1.182 . . . . 35.18 111.546 177.357 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 39' ' ' GLN . . . . . 0.455 ' HG2' ' CE1' ' B' ' 30' ' ' TYR . 2.5 tp-100 -113.48 125.35 54.12 Favored 'General case' 0 N--CA 1.436 -1.161 0 N-CA-C 106.695 -1.594 . . . . 36.890000000000001 106.695 171.698 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 38.0 p -124.33 19.27 8.96 Favored 'General case' 0 N--CA 1.426 -1.657 0 N-CA-C 112.909 0.707 . . . . 33.719999999999999 112.909 -173.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -138.29 53.35 5.73 Favored Pre-proline 0 CA--C 1.462 -2.404 0 N-CA-C 113.447 0.906 . . . . 29.469999999999999 113.447 -173.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -69.91 163.72 37.33 Favored 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 113.812 -3.659 . . . . 23.010000000000002 114.596 178.076 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 19.7 p -88.48 161.77 16.82 Favored 'General case' 0 N--CA 1.401 -2.881 0 CA-C-O 123.947 1.832 . . . . 28.199999999999999 109.564 177.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' ILE . . . . . 0.849 ' CD1' ' CD2' ' A' ' -1' ' ' HIS . 0.0 OUTLIER -67.71 -34.28 66.87 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.943 0 C-N-CA 117.656 -1.618 . . . . 37.049999999999997 111.82 -179.487 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 45' ' ' GLN . . . . . 0.505 ' HG3' ' O ' ' B' ' 80' ' ' HOH . 0.1 OUTLIER -66.41 -30.89 71.36 Favored 'General case' 0 N--CA 1.505 2.302 0 C-N-CA 117.957 -1.497 . . . . 53.149999999999999 112.241 175.866 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 46' ' ' PHE . . . . . 0.833 ' CE1' ' CD1' ' B' ' 34' ' ' ILE . 66.3 t80 -61.88 -42.7 99.38 Favored 'General case' 0 C--O 1.253 1.244 0 O-C-N 119.501 -2.0 . . . . 28.780000000000001 110.124 171.395 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 47' ' ' LEU . . . . . 1.018 HD22 HD11 ' B' ' 2' ' ' ILE . 96.3 mt -69.97 -34.28 73.18 Favored 'General case' 0 C--O 1.212 -0.886 0 N-CA-C 108.371 -0.974 . . . . 29.879999999999999 108.371 -174.165 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 48' ' ' GLU . . . . . 0.427 ' OE1' ' CD2' ' A' ' -1' ' ' HIS . 0.1 OUTLIER -65.27 -42.54 93.09 Favored 'General case' 0 CA--C 1.49 -1.362 0 N-CA-C 109.839 -0.43 . . . . 61.920000000000002 109.839 -179.659 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 49' ' ' LYS . . . . . 0.515 ' HE2' ' O ' ' B' ' 86' ' ' HOH . 14.1 mtpt -63.75 -48.35 77.36 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 124.639 1.212 . . . . 46.549999999999997 111.381 -179.928 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 63.6 t -67.71 -46.88 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.964 0 N-CA-C 113.495 0.924 . . . . 27.370000000000001 113.495 178.371 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 95.4 p -58.76 -43.01 90.24 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 121.115 -0.991 . . . . 31.73 111.881 177.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.48 -52.34 62.21 Favored 'General case' 0 C--N 1.293 -1.877 0 C-N-CA 117.942 -1.503 . . . . 38.799999999999997 112.189 178.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.0 t -57.75 -34.17 47.18 Favored 'Isoleucine or valine' 0 C--O 1.241 0.635 0 C-N-CA 123.817 0.847 . . . . 36.159999999999997 112.804 179.536 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 91.6 mt -88.05 0.39 56.03 Favored 'General case' 0 CA--C 1.56 1.338 0 N-CA-C 116.537 2.051 . . . . 37.450000000000003 116.537 -179.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' ASP . . . . . 0.472 ' OD2' ' NZ ' ' B' ' 13' ' ' LYS . 63.1 m-20 60.59 32.72 20.44 Favored 'General case' 0 CA--C 1.491 -1.309 0 N-CA-C 116.096 1.887 . . . . 56.109999999999999 116.096 -177.648 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.3 m -122.4 169.17 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.343 0 N-CA-C 107.006 -1.479 . . . . 38.020000000000003 107.006 174.4 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 9.6 t -85.39 149.62 25.3 Favored 'General case' 0 C--O 1.214 -0.811 0 CA-C-N 114.669 -1.15 . . . . 38.899999999999999 110.817 176.257 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 93.5 t -50.05 -39.36 15.75 Favored 'Isoleucine or valine' 0 C--O 1.254 1.33 0 CA-C-N 120.27 1.396 . . . . 40.329999999999998 111.844 166.158 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' HIS . . . . . 0.674 ' HD1' ' CE1' ' A' ' 59' ' ' HIS . 54.8 t60 -56.97 -38.43 72.99 Favored 'General case' 0 C--O 1.27 2.134 0 CA-C-O 122.091 0.948 . . . . 52.32 110.458 -177.19 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 60' ' ' THR . . . . . 0.428 ' O ' ' NE ' ' B' ' 5' ' ' ARG . 52.1 m -65.97 -37.82 86.97 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 113.314 -1.766 . . . . 42.200000000000003 111.756 -177.855 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 23.5 mt -69.65 -31.99 70.39 Favored 'General case' 0 C--O 1.209 -1.059 0 N-CA-C 113.418 0.895 . . . . 35.310000000000002 113.418 171.674 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 79.4 mt -85.6 -25.72 26.51 Favored 'General case' 0 C--O 1.258 1.519 0 O-C-N 121.356 -0.84 . . . . 43.880000000000003 112.885 -178.541 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -144.26 110.27 5.39 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 124.477 1.11 . . . . 58.340000000000003 111.014 -168.549 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 64' ' ' GLU . . . . . 0.488 ' HG2' ' HD2' ' B' ' 5' ' ' ARG . 1.2 mt-10 . . . . . 0 N--CA 1.48 1.039 0 C-N-CA 123.157 0.583 . . . . 80.969999999999999 112.36 178.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 90' ' ' HOH . . . . . 0.74 ' O ' ' HE1' ' A' ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 80' ' ' HOH . . . . . 0.505 ' O ' ' HG3' ' B' ' 45' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 85' ' ' HOH . . . . . 0.438 ' O ' ' C ' ' B' ' 64' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' HOH . . . . . 0.515 ' O ' ' HE2' ' B' ' 49' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' -1' ' ' HIS . . . . . 0.849 ' CD2' ' CD1' ' B' ' 44' ' ' ILE . 30.2 m-70 . . . . . 0 N--CA 1.438 -1.049 0 CA-C-O 124.808 2.242 . . . . 80.58 107.591 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' HIS . . . . . 0.629 ' H ' ' CD2' ' A' ' 0' ' ' HIS . 0.1 OUTLIER -63.2 -12.15 26.24 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 112.082 -2.326 . . . . 75.26 111.051 166.434 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . 0.924 ' CE ' ' HB3' ' A' ' 66' ' ' HIS . 85.0 mmm -99.71 -3.33 33.17 Favored 'General case' 0 C--O 1.195 -1.806 0 C-N-CA 116.097 -2.241 . . . . 44.52 115.657 -179.943 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.426 HD11 ' HB3' ' A' ' -1' ' ' HIS . 67.3 mt -56.88 -43.51 80.41 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.705 0 CA-C-N 118.599 0.636 . . . . 32.72 112.203 -176.535 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.34 -47.12 84.84 Favored Glycine 0 N--CA 1.474 1.176 0 CA-C-O 121.133 0.296 . . . . 26.84 113.628 176.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -62.57 -40.07 95.71 Favored 'General case' 0 C--O 1.266 1.924 0 N-CA-C 112.884 0.698 . . . . 45.46 112.884 179.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -67.15 -44.3 80.13 Favored 'General case' 0 CA--C 1.502 -0.883 0 C-N-CA 119.429 -0.908 . . . . 39.66 110.853 176.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.1 mt -56.6 -46.0 82.56 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 CA-C-O 122.95 1.357 . . . . 25.92 113.16 176.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -59.91 -45.59 92.06 Favored 'General case' 0 N--CA 1.436 -1.162 0 O-C-N 120.57 -1.331 . . . . 31.64 112.093 177.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -54.68 -55.12 33.09 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 117.8 0.273 . . . . 50.44 110.97 175.495 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.404 ' OH ' ' OE2' ' A' ' 64' ' ' GLU 0.29 87.0 m-85 -68.3 -31.86 71.58 Favored 'General case' 0 C--O 1.247 0.927 0 C-N-CA 119.183 -1.007 . . . . 40.09 113.242 -174.67 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.8 ttp85 -60.48 -47.93 83.98 Favored 'General case' 0 CA--C 1.571 1.757 0 CA-C-O 122.43 1.109 . . . . 32.91 110.703 172.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -66.88 -35.8 80.85 Favored 'General case' 0 C--O 1.249 1.072 0 O-C-N 121.6 -0.688 . . . . 40.44 112.218 179.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -64.85 -18.99 65.64 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 113.318 0.859 . . . . 29.13 113.318 174.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -103.07 0.43 31.97 Favored 'General case' 0 CA--C 1.501 -0.915 0 CA-C-O 119.148 -0.453 . . . . 37.24 111.302 174.249 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.14 29.6 75.41 Favored Glycine 0 N--CA 1.48 1.603 0 N-CA-C 114.856 0.702 . . . . 29.03 114.856 179.6 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -91.72 140.28 29.86 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 121.69 -0.888 . . . . 35.76 111.569 174.542 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.4 p -75.8 166.43 23.54 Favored 'General case' 0 C--O 1.19 -2.057 0 O-C-N 124.298 0.999 . . . . 35.6 108.561 169.163 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.2 tt -54.78 -42.76 72.13 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 119.138 -0.458 . . . . 37.12 111.977 172.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.2 p -66.05 -32.43 73.9 Favored 'General case' 0 CA--C 1.501 -0.905 0 N-CA-C 115.628 1.714 . . . . 41.01 115.628 176.136 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -70.5 -43.54 69.48 Favored 'General case' 0 CA--C 1.489 -1.368 0 CA-C-O 121.425 0.631 . . . . 58.25 110.858 179.45 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.3 tp -62.9 -46.46 87.7 Favored 'General case' 0 N--CA 1.427 -1.615 0 C-N-CA 117.862 -1.535 . . . . 29.76 110.168 178.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.97 -48.35 81.85 Favored 'General case' 0 C--O 1.208 -1.092 0 N-CA-C 109.429 -0.582 . . . . 33.63 109.429 -176.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -55.39 -50.01 70.84 Favored 'General case' 0 C--O 1.245 0.864 0 N-CA-C 112.91 0.708 . . . . 61.61 112.91 173.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -71.61 -31.71 67.19 Favored 'General case' 0 C--O 1.253 1.258 0 O-C-N 120.136 -1.602 . . . . 44.84 112.277 -173.295 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.18 -19.38 31.83 Favored 'General case' 0 C--O 1.216 -0.678 0 C-N-CA 120.487 -0.485 . . . . 36.38 109.791 -176.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.91 39.85 37.49 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 112.117 -0.393 . . . . 36.68 112.117 -176.93 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.6 m -120.81 160.83 21.26 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.165 0 N-CA-C 106.55 -1.648 . . . . 33.19 106.55 179.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.81 137.97 44.18 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.459 -0.941 . . . . 33.75 108.459 -177.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -59.76 -37.22 78.41 Favored 'General case' 0 CA--C 1.507 -0.677 0 N-CA-C 113.318 0.858 . . . . 48.8 113.318 177.002 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.1 p -71.02 -34.1 70.99 Favored 'General case' 0 C--O 1.252 1.197 0 CA-C-O 122.03 0.919 . . . . 34.8 111.942 -177.503 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -64.89 -50.09 67.93 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.822 -0.549 . . . . 30.01 111.616 171.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.5 tp -57.92 -44.53 86.89 Favored 'General case' 0 C--O 1.204 -1.318 0 N-CA-C 109.063 -0.717 . . . . 28.07 109.063 178.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.7 t -67.34 -40.41 85.86 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-O 118.5 -0.762 . . . . 35.17 110.557 -178.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.4 m -56.51 -43.96 80.26 Favored 'General case' 0 C--O 1.289 3.153 0 N-CA-C 113.817 1.043 . . . . 27.11 113.817 173.378 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 35.9 mm -67.96 -47.37 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 CA-C-O 121.465 0.65 . . . . 30.64 111.063 179.33 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -59.05 -33.72 71.11 Favored 'General case' 0 C--O 1.205 -1.246 0 CA-C-O 117.925 -1.036 . . . . 32.45 112.094 177.228 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.6 mtm105 -87.78 -1.17 57.79 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 119.755 1.161 . . . . 57.88 113.976 -179.989 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 63.02 21.74 13.07 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 115.598 1.703 . . . . 47.83 115.598 -172.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.87 -33.79 75.42 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 123.311 0.645 . . . . 49.74 109.7 173.715 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -131.09 125.92 34.43 Favored 'General case' 0 C--O 1.24 0.597 0 N-CA-C 105.934 -1.876 . . . . 39.95 105.934 173.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 81.1 p -105.26 -2.17 24.39 Favored 'General case' 0 C--O 1.195 -1.797 0 N-CA-C 115.222 1.564 . . . . 37.21 115.222 177.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -114.49 87.38 13.91 Favored Pre-proline 0 C--N 1.329 -0.309 0 N-CA-C 112.532 0.567 . . . . 33.22 112.532 -179.636 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -80.25 162.4 22.75 Favored 'Trans proline' 0 C--O 1.191 -1.863 0 C-N-CA 121.615 1.543 . . . . 27.85 113.869 178.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.4 p -85.87 153.17 22.42 Favored 'General case' 0 N--CA 1.429 -1.487 0 CA-C-N 115.448 -0.796 . . . . 29.43 111.494 176.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.3 tp -63.89 -37.47 79.85 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.792 0 CA-C-O 118.705 -0.664 . . . . 25.24 111.448 -175.52 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -73.35 -29.61 62.76 Favored 'General case' 0 N--CA 1.505 2.283 0 C-N-CA 118.521 -1.271 . . . . 43.42 113.723 -178.08 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -57.23 -52.73 64.15 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 122.232 -0.293 . . . . 27.0 110.242 168.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.9 mt -61.21 -39.2 89.37 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-O 121.407 0.622 . . . . 27.46 112.108 -178.577 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -63.88 -44.1 94.07 Favored 'General case' 0 CA--C 1.497 -1.068 0 CA-C-N 116.287 -0.415 . . . . 41.74 110.876 176.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -74.08 -43.51 57.42 Favored 'General case' 0 CA--C 1.553 1.086 0 CA-C-O 121.23 0.538 . . . . 45.98 110.353 -174.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 52.9 t -59.75 -46.26 93.72 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.177 0 O-C-N 121.298 -0.876 . . . . 25.74 109.59 173.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.3 p -65.82 -31.78 72.93 Favored 'General case' 0 C--O 1.212 -0.885 0 O-C-N 120.048 -1.657 . . . . 35.03 112.778 -171.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.92 -47.49 83.04 Favored 'General case' 0 N--CA 1.435 -1.176 0 C-N-CA 123.59 0.756 . . . . 37.83 110.747 174.354 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 75.2 t -65.92 -33.2 61.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 CA-C-O 121.209 0.528 . . . . 32.39 111.656 -177.646 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 76.7 mt -93.52 0.03 56.51 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 116.63 2.085 . . . . 28.23 116.63 -176.204 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 62.87 39.69 10.35 Favored 'General case' 0 C--O 1.245 0.84 0 N-CA-C 114.3 1.222 . . . . 44.45 114.3 177.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.4 m -133.83 170.29 20.09 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.261 0 N-CA-C 107.199 -1.408 . . . . 34.76 107.199 172.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.8 t -87.33 156.7 19.5 Favored 'General case' 0 CA--C 1.49 -1.356 0 N-CA-C 108.258 -1.016 . . . . 38.74 108.258 177.026 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.2 t -55.53 -36.24 40.99 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.997 0 C-N-CA 120.486 -0.486 . . . . 32.68 110.307 167.083 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.674 ' CE1' ' HD1' ' B' ' 59' ' ' HIS . 74.0 m-70 -63.81 -31.12 72.19 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 112.928 0.714 . . . . 36.32 112.928 -177.583 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 88.3 m -66.81 -42.41 85.94 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 122.652 0.381 . . . . 31.35 111.697 176.334 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 33.6 mt -63.24 -32.72 74.2 Favored 'General case' 0 C--O 1.21 -1.015 0 O-C-N 124.531 1.144 . . . . 29.38 110.061 179.672 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 58.5 mt -89.86 -24.4 21.4 Favored 'General case' 0 C--O 1.198 -1.618 0 N-CA-C 116.702 2.112 . . . . 39.77 116.702 178.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -137.88 -16.99 1.26 Allowed 'General case' 0 C--O 1.197 -1.671 0 N-CA-C 118.784 2.883 . . . . 61.81 118.784 -165.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.404 ' OE2' ' OH ' ' A' ' 9' ' ' TYR . 25.6 tt0 -55.37 136.03 49.68 Favored 'General case' 0 C--N 1.311 -1.089 0 O-C-N 120.773 -1.205 . . . . 49.49 110.598 177.462 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -68.66 106.68 2.7 Favored 'General case' 0 N--CA 1.428 -1.566 0 N-CA-C 106.354 -1.721 . . . . 65.25 106.354 -178.281 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.924 ' HB3' ' CE ' ' A' ' 1' ' ' MET . 2.4 t-80 -80.51 -56.27 4.29 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 107.057 -1.46 . . . . 84.92 107.057 172.532 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.937 ' OE2' ' HA ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.313 -1.011 0 N-CA-C 114.505 1.298 . . . . 104.2 114.505 162.079 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' -3' ' ' HIS . . . . . . . . . . . . . 14.4 t60 . . . . . 0 CA--C 1.555 1.172 0 CA-C-O 119.901 -0.095 . . . . 83.73 110.753 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' -2' ' ' HIS . . . . . 0.51 ' HE1' ' O ' ' A' ' 80' ' ' HOH . 35.4 m80 -55.97 -38.15 70.01 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 113.158 0.799 . . . . 53.67 113.158 -179.749 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' -1' ' ' HIS . . . . . 0.431 ' O ' HG22 ' B' ' 2' ' ' ILE . 18.8 p-80 -65.52 -17.76 64.81 Favored 'General case' 0 C--O 1.25 1.095 0 N-CA-C 115.161 1.541 . . . . 49.44 115.161 -172.725 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 0' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -72.98 -31.66 64.67 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 123.682 0.614 . . . . 59.88 112.303 -172.498 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 29.1 mtm -110.84 8.78 22.44 Favored 'General case' 0 N--CA 1.443 -0.776 0 C-N-CA 118.663 -1.215 . . . . 50.46 112.601 -176.315 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' ILE . . . . . 1.018 HD11 HD22 ' B' ' 47' ' ' LEU . 3.0 tt -58.28 -45.21 89.27 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 C-N-CA 119.458 -0.897 . . . . 32.6 111.398 -177.531 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.83 -50.48 67.1 Favored Glycine 0 CA--C 1.495 -1.159 0 CA-C-O 122.719 1.177 . . . . 28.55 113.444 179.267 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -55.52 -40.86 72.33 Favored 'General case' 0 C--O 1.209 -1.062 0 CA-C-N 113.505 -1.348 . . . . 63.91 112.461 178.647 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.488 ' HD2' ' HG2' ' B' ' 64' ' ' GLU . 64.6 mtp85 -74.82 -41.33 60.13 Favored 'General case' 0 C--O 1.271 2.192 0 N-CA-C 113.212 0.819 . . . . 67.21 113.212 178.884 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 97.2 mt -54.56 -49.73 64.36 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.421 0 C-N-CA 117.404 -1.718 . . . . 27.39 113.174 167.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 19.0 tttp -58.69 -45.64 89.02 Favored 'General case' 0 C--O 1.253 1.27 0 O-C-N 121.31 -0.869 . . . . 50.74 112.093 176.666 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -50.0 -54.17 21.84 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 112.727 0.639 . . . . 56.51 112.727 173.116 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -79.95 -20.45 45.57 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 115.451 1.649 . . . . 46.5 115.451 -174.694 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 67.2 ttp85 -68.61 -46.52 69.09 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 108.009 -1.108 . . . . 35.87 108.009 172.338 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 33.0 mttm -63.62 -35.13 79.51 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.365 -0.834 . . . . 48.36 110.499 -176.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -60.49 -31.77 70.8 Favored 'General case' 0 C--O 1.243 0.739 0 N-CA-C 113.885 1.069 . . . . 50.83 113.885 174.055 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.472 ' NZ ' ' OD2' ' B' ' 55' ' ' ASP . 10.2 mttt -90.21 -4.17 57.39 Favored 'General case' 0 C--O 1.253 1.268 0 CA-C-O 120.929 0.395 . . . . 52.6 111.833 175.706 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.16 20.31 77.54 Favored Glycine 0 N--CA 1.474 1.195 0 N-CA-C 115.452 0.941 . . . . 36.77 115.452 -177.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' TYR . . . . . 0.517 ' CE1' ' NZ ' ' B' ' 23' ' ' LYS . 16.6 m-30 -88.8 135.49 33.49 Favored 'General case' 0 CA--C 1.48 -1.717 0 CA-C-N 117.274 0.537 . . . . 39.96 111.186 -171.705 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' SER . . . . . 0.44 ' OG ' ' HG3' ' B' ' 19' ' ' GLU . 92.8 p -69.4 161.0 30.3 Favored 'General case' 0 N--CA 1.434 -1.244 0 CA-C-O 122.143 0.973 . . . . 30.48 109.993 162.433 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 22.6 mt -51.21 -41.93 60.59 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 114.821 -1.081 . . . . 38.47 111.672 167.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 48.8 m -65.55 -40.9 93.4 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 112.59 0.589 . . . . 33.45 112.59 179.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.44 ' HG3' ' OG ' ' B' ' 16' ' ' SER . 32.3 mt-10 -70.21 -37.8 75.15 Favored 'General case' 0 C--O 1.201 -1.492 0 C-N-CA 119.705 -0.798 . . . . 37.35 108.858 -179.935 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 23.5 tp -68.07 -41.21 82.29 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 118.163 -1.415 . . . . 27.13 112.085 177.967 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.51 -40.93 79.8 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.317 0.58 . . . . 25.81 111.346 175.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -68.32 -46.19 70.9 Favored 'General case' 0 CA--C 1.499 -1.004 0 O-C-N 120.435 -1.415 . . . . 40.98 112.544 178.68 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.517 ' NZ ' ' CE1' ' B' ' 15' ' ' TYR . 49.4 mttt -70.68 -36.9 73.56 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 120.645 -0.422 . . . . 46.22 111.124 -173.5 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.98 -18.89 35.7 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 112.526 0.565 . . . . 27.57 112.526 -179.048 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.52 50.88 10.54 Favored Glycine 0 C--N 1.35 1.346 0 N-CA-C 110.539 -1.025 . . . . 25.38 110.539 -178.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 33.4 m -137.36 160.94 35.16 Favored 'Isoleucine or valine' 0 C--O 1.269 2.106 0 N-CA-C 106.549 -1.649 . . . . 26.69 106.549 -177.363 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.05 134.21 45.71 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-O 121.912 0.863 . . . . 25.63 110.77 -179.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -60.93 -40.99 95.3 Favored 'General case' 0 CA--C 1.496 -1.102 0 CA-C-N 116.0 -0.546 . . . . 36.11 111.046 178.427 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 52.4 p -56.72 -42.07 78.56 Favored 'General case' 0 N--CA 1.505 2.284 0 N-CA-C 115.98 1.844 . . . . 30.47 115.98 174.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' TYR . . . . . 0.455 ' CE1' ' HG2' ' B' ' 39' ' ' GLN . 49.3 t80 -68.01 -46.13 72.11 Favored 'General case' 0 CA--C 1.496 -1.125 0 CA-C-N 115.35 -0.841 . . . . 26.88 110.976 177.582 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.49 -47.38 84.28 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 122.062 -0.399 . . . . 31.86 111.316 177.079 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 30.3 t -58.9 -46.27 88.28 Favored 'General case' 0 N--CA 1.431 -1.396 0 N-CA-C 108.62 -0.882 . . . . 29.08 108.62 178.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 63.5 m -54.88 -43.94 73.61 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 113.874 1.065 . . . . 26.62 113.874 176.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.833 ' CD1' ' CE1' ' B' ' 46' ' ' PHE . 4.8 mm -59.27 -51.5 71.88 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 C-N-CA 123.537 0.735 . . . . 26.12 111.316 176.328 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -62.89 -31.82 72.95 Favored 'General case' 0 CA--C 1.564 1.488 0 C-N-CA 123.061 0.544 . . . . 37.79 112.112 178.022 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 3.7 mtm180 -91.95 13.81 17.54 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.528 0.566 . . . . 38.45 112.528 179.739 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 54.79 23.91 5.26 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 112.761 0.652 . . . . 61.34 112.761 179.179 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.12 -32.87 22.54 Favored 'General case' 0 CA--C 1.57 1.712 0 CA-C-O 122.581 1.182 . . . . 35.18 111.546 177.357 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' GLN . . . . . 0.455 ' HG2' ' CE1' ' B' ' 30' ' ' TYR . 2.5 tp-100 -113.48 125.35 54.12 Favored 'General case' 0 N--CA 1.436 -1.161 0 N-CA-C 106.695 -1.594 . . . . 36.89 106.695 171.698 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 38.0 p -124.33 19.27 8.96 Favored 'General case' 0 N--CA 1.426 -1.657 0 N-CA-C 112.909 0.707 . . . . 33.72 112.909 -173.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -138.29 53.35 5.73 Favored Pre-proline 0 CA--C 1.462 -2.404 0 N-CA-C 113.447 0.906 . . . . 29.47 113.447 -173.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -69.91 163.72 37.33 Favored 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 113.812 -3.659 . . . . 23.01 114.596 178.076 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 19.7 p -88.48 161.77 16.82 Favored 'General case' 0 N--CA 1.401 -2.881 0 CA-C-O 123.947 1.832 . . . . 28.2 109.564 177.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.849 ' CD1' ' CD2' ' A' ' -1' ' ' HIS . 0.0 OUTLIER -67.71 -34.28 66.87 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.943 0 C-N-CA 117.656 -1.618 . . . . 37.05 111.82 -179.487 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' GLN . . . . . 0.505 ' HG3' ' O ' ' B' ' 80' ' ' HOH . 0.1 OUTLIER -66.41 -30.89 71.36 Favored 'General case' 0 N--CA 1.505 2.302 0 C-N-CA 117.957 -1.497 . . . . 53.15 112.241 175.866 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.833 ' CE1' ' CD1' ' B' ' 34' ' ' ILE . 66.3 t80 -61.88 -42.7 99.38 Favored 'General case' 0 C--O 1.253 1.244 0 O-C-N 119.501 -2.0 . . . . 28.78 110.124 171.395 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' LEU . . . . . 1.018 HD22 HD11 ' B' ' 2' ' ' ILE . 96.3 mt -69.97 -34.28 73.18 Favored 'General case' 0 C--O 1.212 -0.886 0 N-CA-C 108.371 -0.974 . . . . 29.88 108.371 -174.165 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' GLU . . . . . 0.427 ' OE1' ' CD2' ' A' ' -1' ' ' HIS . 0.1 OUTLIER -65.27 -42.54 93.09 Favored 'General case' 0 CA--C 1.49 -1.362 0 N-CA-C 109.839 -0.43 . . . . 61.92 109.839 -179.659 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.515 ' HE2' ' O ' ' B' ' 86' ' ' HOH . 14.1 mtpt -63.75 -48.35 77.36 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 124.639 1.212 . . . . 46.55 111.381 -179.928 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 63.6 t -67.71 -46.88 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.964 0 N-CA-C 113.495 0.924 . . . . 27.37 113.495 178.371 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 95.4 p -58.76 -43.01 90.24 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 121.115 -0.991 . . . . 31.73 111.881 177.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.48 -52.34 62.21 Favored 'General case' 0 C--N 1.293 -1.877 0 C-N-CA 117.942 -1.503 . . . . 38.8 112.189 178.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.0 t -57.75 -34.17 47.18 Favored 'Isoleucine or valine' 0 C--O 1.241 0.635 0 C-N-CA 123.817 0.847 . . . . 36.16 112.804 179.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 91.6 mt -88.05 0.39 56.03 Favored 'General case' 0 CA--C 1.56 1.338 0 N-CA-C 116.537 2.051 . . . . 37.45 116.537 -179.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.472 ' OD2' ' NZ ' ' B' ' 13' ' ' LYS . 63.1 m-20 60.59 32.72 20.44 Favored 'General case' 0 CA--C 1.491 -1.309 0 N-CA-C 116.096 1.887 . . . . 56.11 116.096 -177.648 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.3 m -122.4 169.17 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.343 0 N-CA-C 107.006 -1.479 . . . . 38.02 107.006 174.4 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 9.6 t -85.39 149.62 25.3 Favored 'General case' 0 C--O 1.214 -0.811 0 CA-C-N 114.669 -1.15 . . . . 38.9 110.817 176.257 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 93.5 t -50.05 -39.36 15.75 Favored 'Isoleucine or valine' 0 C--O 1.254 1.33 0 CA-C-N 120.27 1.396 . . . . 40.33 111.844 166.158 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' HIS . . . . . 0.674 ' HD1' ' CE1' ' A' ' 59' ' ' HIS . 54.8 t60 -56.97 -38.43 72.99 Favored 'General case' 0 C--O 1.27 2.134 0 CA-C-O 122.091 0.948 . . . . 52.32 110.458 -177.19 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' THR . . . . . 0.428 ' O ' ' NE ' ' B' ' 5' ' ' ARG . 52.1 m -65.97 -37.82 86.97 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 113.314 -1.766 . . . . 42.2 111.756 -177.855 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 23.5 mt -69.65 -31.99 70.39 Favored 'General case' 0 C--O 1.209 -1.059 0 N-CA-C 113.418 0.895 . . . . 35.31 113.418 171.674 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 79.4 mt -85.6 -25.72 26.51 Favored 'General case' 0 C--O 1.258 1.519 0 O-C-N 121.356 -0.84 . . . . 43.88 112.885 -178.541 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -144.26 110.27 5.39 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 124.477 1.11 . . . . 58.34 111.014 -168.549 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.488 ' HG2' ' HD2' ' B' ' 5' ' ' ARG . 1.2 mt-10 . . . . . 0 N--CA 1.48 1.039 0 C-N-CA 123.157 0.583 . . . . 80.97 112.36 178.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' HOH . . . . . 0.51 ' O ' ' HE1' ' B' ' -2' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' HOH . . . . . 0.74 ' O ' ' HE1' ' A' ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' HOH . . . . . 0.505 ' O ' ' HG3' ' B' ' 45' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' HOH . . . . . 0.438 ' O ' ' C ' ' B' ' 64' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' HOH . . . . . 0.515 ' O ' ' HE2' ' B' ' 49' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_