data_2pk8_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 2pk8 _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 ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.502 2.145 0 N-CA-C 106.61 -1.626 . . . . 20.19 106.61 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.5 p -69.11 -26.74 65.06 Favored 'General case' 0 C--O 1.213 -0.858 0 C-N-CA 118.36 -1.336 . . . . 20.97 110.214 -176.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -63.21 -42.87 99.34 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 120.363 -0.535 . . . . 12.39 110.419 174.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.69 -40.39 98.71 Favored Glycine 0 C--N 1.348 1.229 0 O-C-N 124.345 1.028 . . . . 10.55 112.36 177.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -61.22 -41.99 97.82 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.518 0.727 . . . . 15.64 110.597 174.831 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 47.5 tp -69.45 -37.91 77.56 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 118.175 -1.41 . . . . 7.94 111.306 179.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 76.7 mt -63.48 -42.36 95.95 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 N-CA-C 107.64 -1.244 . . . . 6.73 107.64 -179.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 43.0 ttp85 -60.93 -49.15 78.64 Favored 'General case' 0 CA--C 1.507 -0.711 0 C-N-CA 124.427 1.091 . . . . 17.93 110.484 -179.349 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 69.6 mt -65.53 -44.86 93.91 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 O-C-N 123.9 0.75 . . . . 9.63 109.406 -176.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.4 mt -62.56 -38.76 91.32 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 118.308 0.504 . . . . 12.28 110.259 179.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.01 -43.41 95.89 Favored Glycine 0 N--CA 1.437 -1.245 0 N-CA-C 111.346 -0.701 . . . . 11.76 111.346 178.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -67.72 -39.87 84.27 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-N 117.865 0.832 . . . . 21.41 111.143 -179.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 89.3 mt -61.3 -44.37 98.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 CA-C-O 121.115 0.483 . . . . 13.36 109.983 178.81 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . . . -62.02 -43.51 98.69 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-N 115.101 -0.954 . . . . 10.1 110.752 -179.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -60.24 -47.43 86.0 Favored 'General case' 0 CA--C 1.557 1.213 0 N-CA-C 113.467 0.914 . . . . 21.54 113.467 176.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -66.86 -38.73 86.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.833 -0.542 . . . . 9.56 112.003 176.232 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 85.5 mtp -57.27 -47.87 80.32 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 117.889 0.313 . . . . 10.75 111.043 173.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.68 -41.95 98.26 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.615 -0.72 . . . . 10.16 112.496 177.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -60.02 -44.62 94.49 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.123 -0.695 . . . . 14.53 109.123 179.145 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.5 mt -65.63 -48.13 73.26 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 114.375 1.25 . . . . 10.82 114.375 179.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -53.44 -46.43 69.85 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 124.329 1.018 . . . . 11.54 112.45 174.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.7 mmt -61.04 -31.11 70.76 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 112.725 0.639 . . . . 16.34 112.725 177.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -81.07 -3.83 53.21 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.663 1.357 . . . . 19.56 114.663 176.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.4 2.93 56.6 Favored Glycine 0 C--N 1.334 0.45 0 N-CA-C 115.456 0.942 . . . . 10.82 115.456 178.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -84.36 163.68 19.41 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 121.852 0.834 . . . . 12.62 111.972 177.141 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -122.42 87.6 48.83 Favored Pre-proline 0 N--CA 1.45 -0.441 0 N-CA-C 108.603 -0.888 . . . . 17.11 108.603 176.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -60.08 123.46 13.24 Favored 'Trans proline' 0 C--O 1.247 0.964 0 O-C-N 123.035 1.018 . . . . 9.86 112.06 -179.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.3 p-10 -123.36 -21.24 5.39 Favored 'General case' 0 C--O 1.266 1.946 0 N-CA-C 115.115 1.524 . . . . 11.47 115.115 -176.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.9 mt -142.63 146.82 21.62 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-N 115.784 -0.643 . . . . 10.14 109.361 -173.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.7 tt -121.72 118.53 56.03 Favored 'Isoleucine or valine' 0 C--O 1.248 1.01 0 N-CA-C 107.921 -1.14 . . . . 11.17 107.921 169.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 30.2 mt -83.65 130.06 34.97 Favored 'General case' 0 C--O 1.243 0.743 0 N-CA-C 108.834 -0.802 . . . . 11.32 108.834 178.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -112.87 137.21 51.57 Favored 'General case' 0 C--O 1.206 -1.194 0 N-CA-C 112.847 0.684 . . . . 11.97 112.847 177.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.85 166.85 46.38 Favored Glycine 0 C--O 1.247 0.919 0 N-CA-C 107.518 -2.233 . . . . 8.57 107.518 170.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -59.13 -55.04 40.09 Favored 'General case' 0 C--O 1.248 0.994 0 O-C-N 122.509 -0.407 . . . . 20.76 111.013 -179.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.2 mp0 -61.71 -39.22 90.72 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 116.12 -0.491 . . . . 13.19 111.004 -179.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.73 -42.71 97.87 Favored 'General case' 0 C--O 1.279 2.614 0 CA-C-O 121.424 0.631 . . . . 10.68 111.725 178.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -68.27 -45.76 72.26 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.053 -0.976 . . . . 14.61 109.263 -175.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -59.03 -43.87 91.67 Favored 'General case' 0 N--CA 1.439 -1.011 0 N-CA-C 112.132 0.419 . . . . 12.49 112.132 178.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -56.66 -53.12 61.31 Favored 'General case' 0 CA--C 1.559 1.297 0 O-C-N 124.011 0.82 . . . . 12.69 111.773 177.22 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 66.8 tp -65.63 -37.83 87.69 Favored 'General case' 0 C--O 1.214 -0.777 0 N-CA-C 109.853 -0.425 . . . . 12.3 109.853 179.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.2 t -64.77 -42.21 95.29 Favored 'General case' 0 C--O 1.245 0.826 0 N-CA-C 109.122 -0.696 . . . . 14.7 109.122 -178.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -64.09 -39.35 93.87 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 122.049 0.928 . . . . 21.47 111.639 -179.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.8 tp -62.81 -45.39 92.85 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 114.331 -1.304 . . . . 17.12 109.804 178.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.6 mt -74.37 -38.13 63.26 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 112.277 0.473 . . . . 8.71 112.277 -175.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -55.12 -45.6 75.56 Favored 'General case' 0 C--O 1.249 1.04 0 C-N-CA 120.907 -0.317 . . . . 13.97 111.199 170.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -65.88 -47.61 74.29 Favored 'General case' 0 C--O 1.251 1.132 0 N-CA-C 113.454 0.909 . . . . 16.35 113.454 -179.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -77.33 -41.99 38.4 Favored 'General case' 0 C--O 1.245 0.82 0 N-CA-C 113.888 1.07 . . . . 13.31 113.888 -173.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 14.4 mmt -83.87 -14.54 50.89 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-N 115.863 -0.608 . . . . 17.74 112.269 178.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 48.38 52.54 13.39 Favored 'General case' 0 C--O 1.243 0.736 0 N-CA-C 109.021 -0.733 . . . . 12.79 109.021 -174.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -131.07 161.92 30.97 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 126.819 2.048 . . . . 14.48 107.068 176.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . . . -87.88 -20.05 26.53 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 114.541 1.311 . . . . 14.21 114.541 -178.065 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.05 -167.71 49.94 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 120.378 -0.915 . . . . 13.71 111.633 -172.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -74.79 163.81 89.7 Favored 'Cis proline' 0 CA--C 1.539 0.77 0 C-N-CA 129.414 1.006 . . . . 13.86 110.682 3.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -106.14 124.63 49.89 Favored 'General case' 0 CA--C 1.494 -1.185 0 O-C-N 124.181 0.925 . . . . 13.12 110.412 -175.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.9 p -118.36 -9.27 10.41 Favored 'General case' 0 C--O 1.246 0.873 0 N-CA-C 114.247 1.202 . . . . 11.51 114.247 -170.213 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -142.95 147.87 35.93 Favored 'General case' 0 C--O 1.265 1.908 0 N-CA-C 108.868 -0.79 . . . . 16.21 108.868 179.119 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.5 p -150.25 143.43 17.41 Favored 'Isoleucine or valine' 0 C--O 1.25 1.115 0 N-CA-C 104.29 -2.485 . . . . 9.94 104.29 171.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.9 m 52.97 37.46 24.64 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 113.189 0.811 . . . . 14.79 113.189 175.481 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.6 m120 66.42 13.97 9.49 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 115.374 1.62 . . . . 15.16 115.374 178.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.9 pt -125.42 163.89 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.111 0.481 . . . . 10.79 111.046 173.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -89.54 130.77 35.81 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 123.561 0.744 . . . . 21.38 110.101 -171.174 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 80.6 mt -82.15 128.43 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 N-CA-C 107.904 -1.147 . . . . 8.15 107.904 175.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -130.02 150.72 51.17 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 106.452 -1.684 . . . . 14.93 106.452 167.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 36.2 mm -93.81 130.47 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 N-CA-C 107.703 -1.221 . . . . 9.95 107.703 -175.076 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.1 tp -125.56 93.67 3.92 Favored 'General case' 0 N--CA 1.44 -0.938 0 N-CA-C 104.546 -2.391 . . . . 8.61 104.546 162.293 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -49.92 -37.77 33.13 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 113.151 0.797 . . . . 18.99 113.151 -163.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.4 mp0 -67.48 -11.25 57.45 Favored 'General case' 0 C--N 1.342 0.261 0 N-CA-C 116.142 1.905 . . . . 14.96 116.142 -173.72 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.6 mt -73.18 -5.94 42.59 Favored 'General case' 0 C--O 1.196 -1.753 0 N-CA-C 113.418 0.895 . . . . 10.01 113.418 175.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 63.53 -128.38 38.36 Favored Glycine 0 C--O 1.242 0.62 0 O-C-N 121.279 -0.888 . . . . 8.53 114.056 171.452 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.63 11.66 51.04 Favored Glycine 0 N--CA 1.496 2.685 0 CA-C-N 117.79 0.795 . . . . 9.93 114.761 175.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -110.12 163.93 13.12 Favored 'General case' 0 C--O 1.264 1.847 0 CA-C-N 117.778 0.789 . . . . 12.46 111.07 -177.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -134.36 158.59 43.44 Favored 'General case' 0 C--O 1.253 1.241 0 N-CA-C 107.468 -1.308 . . . . 8.95 107.468 171.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.8 t -135.15 116.36 19.85 Favored 'Isoleucine or valine' 0 C--O 1.269 2.11 0 O-C-N 123.712 0.632 . . . . 9.77 109.682 -178.035 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.5 t -80.04 130.08 36.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 N-CA-C 104.057 -2.571 . . . . 8.8 104.057 177.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 42.2 pt -130.26 156.42 42.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 C-N-CA 119.225 -0.99 . . . . 10.94 112.686 178.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -96.82 102.53 14.33 Favored 'General case' 0 C--O 1.27 2.146 0 N-CA-C 104.212 -2.514 . . . . 11.85 104.212 159.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 31.0 p -72.5 -19.2 61.58 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-N 116.047 -0.524 . . . . 10.4 111.444 -171.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.4 tttm -70.91 -37.31 72.93 Favored 'General case' 0 C--O 1.246 0.903 0 C-N-CA 118.807 -1.157 . . . . 27.41 112.001 178.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.5 m -110.06 3.96 9.03 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.409 0 N-CA-C 113.854 1.057 . . . . 11.47 113.854 -177.084 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.8 tp -58.45 127.12 30.56 Favored 'General case' 0 C--O 1.26 1.647 0 C-N-CA 118.693 -1.203 . . . . 8.56 109.88 177.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 86.35 -5.56 84.11 Favored Glycine 0 C--N 1.353 1.502 0 CA-C-O 119.208 -0.773 . . . . 7.48 113.857 -179.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 55.9 mt -110.49 -35.09 6.13 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 117.479 0.64 . . . . 12.47 112.038 174.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 52.3 t -126.3 121.67 23.83 Favored Pre-proline 0 CA--C 1.551 1.004 0 N-CA-C 105.372 -2.084 . . . . 8.23 105.372 179.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -59.17 142.76 99.64 Favored 'Trans proline' 0 N--CA 1.463 -0.295 0 C-N-CA 120.307 0.671 . . . . 11.67 111.598 174.666 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 98.06 5.62 57.24 Favored Glycine 0 C--O 1.222 -0.599 0 N-CA-C 110.067 -1.213 . . . . 9.6 110.067 174.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -79.93 10.9 3.7 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 114.978 1.473 . . . . 12.29 114.978 179.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -140.68 137.45 33.54 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 125.124 1.37 . . . . 9.96 108.486 -175.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -136.22 120.73 18.2 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 106.817 -1.549 . . . . 25.31 106.817 178.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 21.3 ttm-85 -89.79 144.01 26.32 Favored 'General case' 0 N--CA 1.442 -0.833 0 O-C-N 123.751 0.657 . . . . 19.37 112.52 -178.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.5 pt -133.51 150.81 32.45 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.555 0 CA-C-N 115.005 -0.998 . . . . 14.72 111.996 169.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -92.31 120.47 32.87 Favored 'General case' 0 C--O 1.247 0.937 0 N-CA-C 108.009 -1.108 . . . . 19.78 108.009 176.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 36.6 mm -89.92 -46.67 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 109.385 -0.598 . . . . 16.99 109.385 -174.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 33.2 pt -71.96 144.75 12.88 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 C-N-CA 119.145 -1.022 . . . . 27.26 111.273 -174.871 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.293 0 N-CA-C 115.165 1.543 . . . . 39.11 115.165 179.414 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 500' ' ' AUC . . . . . 0.888 'AU ' ' C1 ' ' A' ' 500' ' ' AUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 505' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 506' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 507' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 508' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 509' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 510' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 511' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 512' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 513' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 514' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 515' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 516' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 517' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 518' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 519' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 520' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 521' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 522' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 523' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 524' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 525' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 526' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 527' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 528' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 529' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 530' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 531' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 532' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 533' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 534' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 535' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 536' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 537' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 538' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.502 2.145 0 N-CA-C 106.61 -1.626 . . . . 20.190000000000001 106.61 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' THR . . . . . 0.481 ' HB ' HD12 ' A' ' 44' ' ' LEU . 16.5 p -69.11 -26.74 65.06 Favored 'General case' 0 C--O 1.213 -0.858 0 C-N-CA 118.36 -1.336 . . . . 20.969999999999999 110.214 -176.971 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -63.21 -42.87 99.34 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 120.363 -0.535 . . . . 12.390000000000001 110.419 174.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.69 -40.39 98.71 Favored Glycine 0 C--N 1.348 1.229 0 O-C-N 124.345 1.028 . . . . 10.550000000000001 112.36 177.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -61.22 -41.99 97.82 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.518 0.727 . . . . 15.640000000000001 110.597 174.831 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 47.5 tp -69.45 -37.91 77.56 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 118.175 -1.41 . . . . 7.9400000000000004 111.306 179.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 76.7 mt -63.48 -42.36 95.95 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 N-CA-C 107.64 -1.244 . . . . 6.7300000000000004 107.64 -179.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 43.0 ttp85 -60.93 -49.15 78.64 Favored 'General case' 0 CA--C 1.507 -0.711 0 C-N-CA 124.427 1.091 . . . . 17.93 110.484 -179.349 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 69.6 mt -65.53 -44.86 93.91 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 O-C-N 123.9 0.75 . . . . 9.6300000000000008 109.406 -176.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.4 mt -62.56 -38.76 91.32 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 118.308 0.504 . . . . 12.279999999999999 110.259 179.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.01 -43.41 95.89 Favored Glycine 0 N--CA 1.437 -1.245 0 N-CA-C 111.346 -0.701 . . . . 11.76 111.346 178.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -67.72 -39.87 84.27 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-N 117.865 0.832 . . . . 21.41 111.143 -179.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 89.3 mt -61.3 -44.37 98.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 CA-C-O 121.115 0.483 . . . . 13.359999999999999 109.983 178.81 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . . . -62.02 -43.51 98.69 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-N 115.101 -0.954 . . . . 10.1 110.752 -179.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -60.24 -47.43 86.0 Favored 'General case' 0 CA--C 1.557 1.213 0 N-CA-C 113.467 0.914 . . . . 21.539999999999999 113.467 176.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LYS . . . . . 0.557 ' HG3' ' CG2' ' A' ' 91' ' ' ILE . 73.0 mmtt -66.86 -38.73 86.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.833 -0.542 . . . . 9.5600000000000005 112.003 176.232 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 85.5 mtp -57.27 -47.87 80.32 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 117.889 0.313 . . . . 10.75 111.043 173.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.68 -41.95 98.26 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.615 -0.72 . . . . 10.16 112.496 177.915 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -60.02 -44.62 94.49 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.123 -0.695 . . . . 14.529999999999999 109.123 179.145 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.5 mt -65.63 -48.13 73.26 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 114.375 1.25 . . . . 10.82 114.375 179.023 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -53.44 -46.43 69.85 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 124.329 1.018 . . . . 11.539999999999999 112.45 174.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.7 mmt -61.04 -31.11 70.76 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 112.725 0.639 . . . . 16.34 112.725 177.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -81.07 -3.83 53.21 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.663 1.357 . . . . 19.559999999999999 114.663 176.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.4 2.93 56.6 Favored Glycine 0 C--N 1.334 0.45 0 N-CA-C 115.456 0.942 . . . . 10.82 115.456 178.696 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -84.36 163.68 19.41 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 121.852 0.834 . . . . 12.619999999999999 111.972 177.141 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -122.42 87.6 48.83 Favored Pre-proline 0 N--CA 1.45 -0.441 0 N-CA-C 108.603 -0.888 . . . . 17.109999999999999 108.603 176.121 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -60.08 123.46 13.24 Favored 'Trans proline' 0 C--O 1.247 0.964 0 O-C-N 123.035 1.018 . . . . 9.8599999999999994 112.06 -179.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.3 p-10 -123.36 -21.24 5.39 Favored 'General case' 0 C--O 1.266 1.946 0 N-CA-C 115.115 1.524 . . . . 11.470000000000001 115.115 -176.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.9 mt -142.63 146.82 21.62 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-N 115.784 -0.643 . . . . 10.140000000000001 109.361 -173.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.7 tt -121.72 118.53 56.03 Favored 'Isoleucine or valine' 0 C--O 1.248 1.01 0 N-CA-C 107.921 -1.14 . . . . 11.17 107.921 169.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 30.2 mt -83.65 130.06 34.97 Favored 'General case' 0 C--O 1.243 0.743 0 N-CA-C 108.834 -0.802 . . . . 11.32 108.834 178.197 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -112.87 137.21 51.57 Favored 'General case' 0 C--O 1.206 -1.194 0 N-CA-C 112.847 0.684 . . . . 11.970000000000001 112.847 177.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.85 166.85 46.38 Favored Glycine 0 C--O 1.247 0.919 0 N-CA-C 107.518 -2.233 . . . . 8.5700000000000003 107.518 170.06 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -59.13 -55.04 40.09 Favored 'General case' 0 C--O 1.248 0.994 0 O-C-N 122.509 -0.407 . . . . 20.760000000000002 111.013 -179.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLU . . . . . 0.521 ' HG2' HG21 ' A' ' 94' ' ' ILE . 23.2 mp0 -61.71 -39.22 90.72 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 116.12 -0.491 . . . . 13.19 111.004 -179.479 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.73 -42.71 97.87 Favored 'General case' 0 C--O 1.279 2.614 0 CA-C-O 121.424 0.631 . . . . 10.68 111.725 178.203 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -68.27 -45.76 72.26 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.053 -0.976 . . . . 14.609999999999999 109.263 -175.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -59.03 -43.87 91.67 Favored 'General case' 0 N--CA 1.439 -1.011 0 N-CA-C 112.132 0.419 . . . . 12.49 112.132 178.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -56.66 -53.12 61.31 Favored 'General case' 0 CA--C 1.559 1.297 0 O-C-N 124.011 0.82 . . . . 12.69 111.773 177.22 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 66.8 tp -65.63 -37.83 87.69 Favored 'General case' 0 C--O 1.214 -0.777 0 N-CA-C 109.853 -0.425 . . . . 12.300000000000001 109.853 179.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.2 t -64.77 -42.21 95.29 Favored 'General case' 0 C--O 1.245 0.826 0 N-CA-C 109.122 -0.696 . . . . 14.699999999999999 109.122 -178.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -64.09 -39.35 93.87 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 122.049 0.928 . . . . 21.469999999999999 111.639 -179.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LEU . . . . . 0.481 HD12 ' HB ' ' A' ' 3' ' ' THR . 6.8 tp -62.81 -45.39 92.85 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 114.331 -1.304 . . . . 17.120000000000001 109.804 178.631 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.6 mt -74.37 -38.13 63.26 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 112.277 0.473 . . . . 8.7100000000000009 112.277 -175.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -55.12 -45.6 75.56 Favored 'General case' 0 C--O 1.249 1.04 0 C-N-CA 120.907 -0.317 . . . . 13.970000000000001 111.199 170.416 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -65.88 -47.61 74.29 Favored 'General case' 0 C--O 1.251 1.132 0 N-CA-C 113.454 0.909 . . . . 16.350000000000001 113.454 -179.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -77.33 -41.99 38.4 Favored 'General case' 0 C--O 1.245 0.82 0 N-CA-C 113.888 1.07 . . . . 13.31 113.888 -173.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 14.4 mmt -83.87 -14.54 50.89 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-N 115.863 -0.608 . . . . 17.739999999999998 112.269 178.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 48.38 52.54 13.39 Favored 'General case' 0 C--O 1.243 0.736 0 N-CA-C 109.021 -0.733 . . . . 12.789999999999999 109.021 -174.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -131.07 161.92 30.97 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 126.819 2.048 . . . . 14.48 107.068 176.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . . . -87.88 -20.05 26.53 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 114.541 1.311 . . . . 14.210000000000001 114.541 -178.065 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.05 -167.71 49.94 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 120.378 -0.915 . . . . 13.710000000000001 111.633 -172.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -74.79 163.81 89.7 Favored 'Cis proline' 0 CA--C 1.539 0.77 0 C-N-CA 129.414 1.006 . . . . 13.859999999999999 110.682 3.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -106.14 124.63 49.89 Favored 'General case' 0 CA--C 1.494 -1.185 0 O-C-N 124.181 0.925 . . . . 13.119999999999999 110.412 -175.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.9 p -118.36 -9.27 10.41 Favored 'General case' 0 C--O 1.246 0.873 0 N-CA-C 114.247 1.202 . . . . 11.51 114.247 -170.213 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -142.95 147.87 35.93 Favored 'General case' 0 C--O 1.265 1.908 0 N-CA-C 108.868 -0.79 . . . . 16.210000000000001 108.868 179.119 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.5 p -150.25 143.43 17.41 Favored 'Isoleucine or valine' 0 C--O 1.25 1.115 0 N-CA-C 104.29 -2.485 . . . . 9.9399999999999995 104.29 171.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.9 m 52.97 37.46 24.64 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 113.189 0.811 . . . . 14.789999999999999 113.189 175.481 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.6 m120 66.42 13.97 9.49 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 115.374 1.62 . . . . 15.16 115.374 178.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.9 pt -125.42 163.89 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.111 0.481 . . . . 10.789999999999999 111.046 173.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -89.54 130.77 35.81 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 123.561 0.744 . . . . 21.379999999999999 110.101 -171.174 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 80.6 mt -82.15 128.43 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 N-CA-C 107.904 -1.147 . . . . 8.1500000000000004 107.904 175.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -130.02 150.72 51.17 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 106.452 -1.684 . . . . 14.93 106.452 167.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 36.2 mm -93.81 130.47 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 N-CA-C 107.703 -1.221 . . . . 9.9499999999999993 107.703 -175.076 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.1 tp -125.56 93.67 3.92 Favored 'General case' 0 N--CA 1.44 -0.938 0 N-CA-C 104.546 -2.391 . . . . 8.6099999999999994 104.546 162.293 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -49.92 -37.77 33.13 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 113.151 0.797 . . . . 18.989999999999998 113.151 -163.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.4 mp0 -67.48 -11.25 57.45 Favored 'General case' 0 C--N 1.342 0.261 0 N-CA-C 116.142 1.905 . . . . 14.960000000000001 116.142 -173.72 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.6 mt -73.18 -5.94 42.59 Favored 'General case' 0 C--O 1.196 -1.753 0 N-CA-C 113.418 0.895 . . . . 10.01 113.418 175.14 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 63.53 -128.38 38.36 Favored Glycine 0 C--O 1.242 0.62 0 O-C-N 121.279 -0.888 . . . . 8.5299999999999994 114.056 171.452 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.63 11.66 51.04 Favored Glycine 0 N--CA 1.496 2.685 0 CA-C-N 117.79 0.795 . . . . 9.9299999999999997 114.761 175.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -110.12 163.93 13.12 Favored 'General case' 0 C--O 1.264 1.847 0 CA-C-N 117.778 0.789 . . . . 12.460000000000001 111.07 -177.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -134.36 158.59 43.44 Favored 'General case' 0 C--O 1.253 1.241 0 N-CA-C 107.468 -1.308 . . . . 8.9499999999999993 107.468 171.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.8 t -135.15 116.36 19.85 Favored 'Isoleucine or valine' 0 C--O 1.269 2.11 0 O-C-N 123.712 0.632 . . . . 9.7699999999999996 109.682 -178.035 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.5 t -80.04 130.08 36.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 N-CA-C 104.057 -2.571 . . . . 8.8000000000000007 104.057 177.289 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 42.2 pt -130.26 156.42 42.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 C-N-CA 119.225 -0.99 . . . . 10.94 112.686 178.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -96.82 102.53 14.33 Favored 'General case' 0 C--O 1.27 2.146 0 N-CA-C 104.212 -2.514 . . . . 11.85 104.212 159.08 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 31.0 p -72.5 -19.2 61.58 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-N 116.047 -0.524 . . . . 10.4 111.444 -171.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.4 tttm -70.91 -37.31 72.93 Favored 'General case' 0 C--O 1.246 0.903 0 C-N-CA 118.807 -1.157 . . . . 27.41 112.001 178.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.5 m -110.06 3.96 9.03 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.409 0 N-CA-C 113.854 1.057 . . . . 11.470000000000001 113.854 -177.084 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.8 tp -58.45 127.12 30.56 Favored 'General case' 0 C--O 1.26 1.647 0 C-N-CA 118.693 -1.203 . . . . 8.5600000000000005 109.88 177.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 86.35 -5.56 84.11 Favored Glycine 0 C--N 1.353 1.502 0 CA-C-O 119.208 -0.773 . . . . 7.4800000000000004 113.857 -179.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 55.9 mt -110.49 -35.09 6.13 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 117.479 0.64 . . . . 12.470000000000001 112.038 174.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 52.3 t -126.3 121.67 23.83 Favored Pre-proline 0 CA--C 1.551 1.004 0 N-CA-C 105.372 -2.084 . . . . 8.2300000000000004 105.372 179.4 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -59.17 142.76 99.64 Favored 'Trans proline' 0 N--CA 1.463 -0.295 0 C-N-CA 120.307 0.671 . . . . 11.67 111.598 174.666 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 98.06 5.62 57.24 Favored Glycine 0 C--O 1.222 -0.599 0 N-CA-C 110.067 -1.213 . . . . 9.5999999999999996 110.067 174.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -79.93 10.9 3.7 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 114.978 1.473 . . . . 12.289999999999999 114.978 179.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -140.68 137.45 33.54 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 125.124 1.37 . . . . 9.9600000000000009 108.486 -175.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' LYS . . . . . 0.4 ' HB3' ' HD2' ' A' ' 17' ' ' LYS . 57.9 mmtt -136.22 120.73 18.2 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 106.817 -1.549 . . . . 25.309999999999999 106.817 178.652 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 21.3 ttm-85 -89.79 144.01 26.32 Favored 'General case' 0 N--CA 1.442 -0.833 0 O-C-N 123.751 0.657 . . . . 19.370000000000001 112.52 -178.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ILE . . . . . 0.557 ' CG2' ' HG3' ' A' ' 17' ' ' LYS . 4.5 pt -133.51 150.81 32.45 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.555 0 CA-C-N 115.005 -0.998 . . . . 14.720000000000001 111.996 169.587 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -92.31 120.47 32.87 Favored 'General case' 0 C--O 1.247 0.937 0 N-CA-C 108.009 -1.108 . . . . 19.780000000000001 108.009 176.694 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 36.6 mm -89.92 -46.67 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 109.385 -0.598 . . . . 16.989999999999998 109.385 -174.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ILE . . . . . 0.521 HG21 ' HG2' ' A' ' 36' ' ' GLU . 33.2 pt -71.96 144.75 12.88 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 C-N-CA 119.145 -1.022 . . . . 27.260000000000002 111.273 -174.871 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.293 0 N-CA-C 115.165 1.543 . . . . 39.109999999999999 115.165 179.414 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 500' ' ' AUC . . . . . 0.888 ' C1 ' 'AU ' ' A' ' 500' ' ' AUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 505' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 506' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 507' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 508' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 509' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 510' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 511' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 512' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 513' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 514' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 515' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 516' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 517' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 518' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 519' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 520' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 521' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 522' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 523' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 524' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 525' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 526' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 527' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 528' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 529' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 530' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 531' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 532' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 533' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 534' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 535' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 536' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 537' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 538' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.502 2.145 0 N-CA-C 106.61 -1.626 . . . . 20.19 106.61 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' THR . . . . . 0.481 ' HB ' HD12 ' A' ' 44' ' ' LEU . 16.5 p -69.11 -26.74 65.06 Favored 'General case' 0 C--O 1.213 -0.858 0 C-N-CA 118.36 -1.336 . . . . 20.97 110.214 -176.971 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -63.21 -42.87 99.34 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 120.363 -0.535 . . . . 12.39 110.419 174.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.69 -40.39 98.71 Favored Glycine 0 C--N 1.348 1.229 0 O-C-N 124.345 1.028 . . . . 10.55 112.36 177.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -61.22 -41.99 97.82 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.518 0.727 . . . . 15.64 110.597 174.831 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 47.5 tp -69.45 -37.91 77.56 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 118.175 -1.41 . . . . 7.94 111.306 179.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 76.7 mt -63.48 -42.36 95.95 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 N-CA-C 107.64 -1.244 . . . . 6.73 107.64 -179.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 43.0 ttp85 -60.93 -49.15 78.64 Favored 'General case' 0 CA--C 1.507 -0.711 0 C-N-CA 124.427 1.091 . . . . 17.93 110.484 -179.349 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 69.6 mt -65.53 -44.86 93.91 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 O-C-N 123.9 0.75 . . . . 9.63 109.406 -176.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.4 mt -62.56 -38.76 91.32 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 118.308 0.504 . . . . 12.28 110.259 179.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.01 -43.41 95.89 Favored Glycine 0 N--CA 1.437 -1.245 0 N-CA-C 111.346 -0.701 . . . . 11.76 111.346 178.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -67.72 -39.87 84.27 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-N 117.865 0.832 . . . . 21.41 111.143 -179.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 89.3 mt -61.3 -44.37 98.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 CA-C-O 121.115 0.483 . . . . 13.36 109.983 178.81 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . . . -62.02 -43.51 98.69 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-N 115.101 -0.954 . . . . 10.1 110.752 -179.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -60.24 -47.43 86.0 Favored 'General case' 0 CA--C 1.557 1.213 0 N-CA-C 113.467 0.914 . . . . 21.54 113.467 176.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.557 ' HG3' ' CG2' ' A' ' 91' ' ' ILE . 73.0 mmtt -66.86 -38.73 86.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.833 -0.542 . . . . 9.56 112.003 176.232 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 85.5 mtp -57.27 -47.87 80.32 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 117.889 0.313 . . . . 10.75 111.043 173.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.68 -41.95 98.26 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.615 -0.72 . . . . 10.16 112.496 177.915 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -60.02 -44.62 94.49 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.123 -0.695 . . . . 14.53 109.123 179.145 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.5 mt -65.63 -48.13 73.26 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 114.375 1.25 . . . . 10.82 114.375 179.023 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -53.44 -46.43 69.85 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 124.329 1.018 . . . . 11.54 112.45 174.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.7 mmt -61.04 -31.11 70.76 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 112.725 0.639 . . . . 16.34 112.725 177.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -81.07 -3.83 53.21 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.663 1.357 . . . . 19.56 114.663 176.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.4 2.93 56.6 Favored Glycine 0 C--N 1.334 0.45 0 N-CA-C 115.456 0.942 . . . . 10.82 115.456 178.696 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -84.36 163.68 19.41 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 121.852 0.834 . . . . 12.62 111.972 177.141 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -122.42 87.6 48.83 Favored Pre-proline 0 N--CA 1.45 -0.441 0 N-CA-C 108.603 -0.888 . . . . 17.11 108.603 176.121 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -60.08 123.46 13.24 Favored 'Trans proline' 0 C--O 1.247 0.964 0 O-C-N 123.035 1.018 . . . . 9.86 112.06 -179.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.3 p-10 -123.36 -21.24 5.39 Favored 'General case' 0 C--O 1.266 1.946 0 N-CA-C 115.115 1.524 . . . . 11.47 115.115 -176.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.9 mt -142.63 146.82 21.62 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-N 115.784 -0.643 . . . . 10.14 109.361 -173.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.7 tt -121.72 118.53 56.03 Favored 'Isoleucine or valine' 0 C--O 1.248 1.01 0 N-CA-C 107.921 -1.14 . . . . 11.17 107.921 169.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 30.2 mt -83.65 130.06 34.97 Favored 'General case' 0 C--O 1.243 0.743 0 N-CA-C 108.834 -0.802 . . . . 11.32 108.834 178.197 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -112.87 137.21 51.57 Favored 'General case' 0 C--O 1.206 -1.194 0 N-CA-C 112.847 0.684 . . . . 11.97 112.847 177.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.85 166.85 46.38 Favored Glycine 0 C--O 1.247 0.919 0 N-CA-C 107.518 -2.233 . . . . 8.57 107.518 170.06 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -59.13 -55.04 40.09 Favored 'General case' 0 C--O 1.248 0.994 0 O-C-N 122.509 -0.407 . . . . 20.76 111.013 -179.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.521 ' HG2' HG21 ' A' ' 94' ' ' ILE . 23.2 mp0 -61.71 -39.22 90.72 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 116.12 -0.491 . . . . 13.19 111.004 -179.479 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.73 -42.71 97.87 Favored 'General case' 0 C--O 1.279 2.614 0 CA-C-O 121.424 0.631 . . . . 10.68 111.725 178.203 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -68.27 -45.76 72.26 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.053 -0.976 . . . . 14.61 109.263 -175.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -59.03 -43.87 91.67 Favored 'General case' 0 N--CA 1.439 -1.011 0 N-CA-C 112.132 0.419 . . . . 12.49 112.132 178.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -56.66 -53.12 61.31 Favored 'General case' 0 CA--C 1.559 1.297 0 O-C-N 124.011 0.82 . . . . 12.69 111.773 177.22 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 66.8 tp -65.63 -37.83 87.69 Favored 'General case' 0 C--O 1.214 -0.777 0 N-CA-C 109.853 -0.425 . . . . 12.3 109.853 179.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.2 t -64.77 -42.21 95.29 Favored 'General case' 0 C--O 1.245 0.826 0 N-CA-C 109.122 -0.696 . . . . 14.7 109.122 -178.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -64.09 -39.35 93.87 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 122.049 0.928 . . . . 21.47 111.639 -179.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.481 HD12 ' HB ' ' A' ' 3' ' ' THR . 6.8 tp -62.81 -45.39 92.85 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 114.331 -1.304 . . . . 17.12 109.804 178.631 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.6 mt -74.37 -38.13 63.26 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 112.277 0.473 . . . . 8.71 112.277 -175.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -55.12 -45.6 75.56 Favored 'General case' 0 C--O 1.249 1.04 0 C-N-CA 120.907 -0.317 . . . . 13.97 111.199 170.416 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -65.88 -47.61 74.29 Favored 'General case' 0 C--O 1.251 1.132 0 N-CA-C 113.454 0.909 . . . . 16.35 113.454 -179.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -77.33 -41.99 38.4 Favored 'General case' 0 C--O 1.245 0.82 0 N-CA-C 113.888 1.07 . . . . 13.31 113.888 -173.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 14.4 mmt -83.87 -14.54 50.89 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-N 115.863 -0.608 . . . . 17.74 112.269 178.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 48.38 52.54 13.39 Favored 'General case' 0 C--O 1.243 0.736 0 N-CA-C 109.021 -0.733 . . . . 12.79 109.021 -174.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -131.07 161.92 30.97 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 126.819 2.048 . . . . 14.48 107.068 176.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . . . -87.88 -20.05 26.53 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 114.541 1.311 . . . . 14.21 114.541 -178.065 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.05 -167.71 49.94 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 120.378 -0.915 . . . . 13.71 111.633 -172.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -74.79 163.81 89.7 Favored 'Cis proline' 0 CA--C 1.539 0.77 0 C-N-CA 129.414 1.006 . . . . 13.86 110.682 3.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -106.14 124.63 49.89 Favored 'General case' 0 CA--C 1.494 -1.185 0 O-C-N 124.181 0.925 . . . . 13.12 110.412 -175.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.9 p -118.36 -9.27 10.41 Favored 'General case' 0 C--O 1.246 0.873 0 N-CA-C 114.247 1.202 . . . . 11.51 114.247 -170.213 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -142.95 147.87 35.93 Favored 'General case' 0 C--O 1.265 1.908 0 N-CA-C 108.868 -0.79 . . . . 16.21 108.868 179.119 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.5 p -150.25 143.43 17.41 Favored 'Isoleucine or valine' 0 C--O 1.25 1.115 0 N-CA-C 104.29 -2.485 . . . . 9.94 104.29 171.903 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.9 m 52.97 37.46 24.64 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 113.189 0.811 . . . . 14.79 113.189 175.481 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.6 m120 66.42 13.97 9.49 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 115.374 1.62 . . . . 15.16 115.374 178.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.9 pt -125.42 163.89 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.111 0.481 . . . . 10.79 111.046 173.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -89.54 130.77 35.81 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 123.561 0.744 . . . . 21.38 110.101 -171.174 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 80.6 mt -82.15 128.43 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 N-CA-C 107.904 -1.147 . . . . 8.15 107.904 175.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -130.02 150.72 51.17 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 106.452 -1.684 . . . . 14.93 106.452 167.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 36.2 mm -93.81 130.47 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 N-CA-C 107.703 -1.221 . . . . 9.95 107.703 -175.076 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.1 tp -125.56 93.67 3.92 Favored 'General case' 0 N--CA 1.44 -0.938 0 N-CA-C 104.546 -2.391 . . . . 8.61 104.546 162.293 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -49.92 -37.77 33.13 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 113.151 0.797 . . . . 18.99 113.151 -163.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.4 mp0 -67.48 -11.25 57.45 Favored 'General case' 0 C--N 1.342 0.261 0 N-CA-C 116.142 1.905 . . . . 14.96 116.142 -173.72 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.6 mt -73.18 -5.94 42.59 Favored 'General case' 0 C--O 1.196 -1.753 0 N-CA-C 113.418 0.895 . . . . 10.01 113.418 175.14 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 63.53 -128.38 38.36 Favored Glycine 0 C--O 1.242 0.62 0 O-C-N 121.279 -0.888 . . . . 8.53 114.056 171.452 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.63 11.66 51.04 Favored Glycine 0 N--CA 1.496 2.685 0 CA-C-N 117.79 0.795 . . . . 9.93 114.761 175.903 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -110.12 163.93 13.12 Favored 'General case' 0 C--O 1.264 1.847 0 CA-C-N 117.778 0.789 . . . . 12.46 111.07 -177.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -134.36 158.59 43.44 Favored 'General case' 0 C--O 1.253 1.241 0 N-CA-C 107.468 -1.308 . . . . 8.95 107.468 171.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.8 t -135.15 116.36 19.85 Favored 'Isoleucine or valine' 0 C--O 1.269 2.11 0 O-C-N 123.712 0.632 . . . . 9.77 109.682 -178.035 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.5 t -80.04 130.08 36.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 N-CA-C 104.057 -2.571 . . . . 8.8 104.057 177.289 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 42.2 pt -130.26 156.42 42.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 C-N-CA 119.225 -0.99 . . . . 10.94 112.686 178.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -96.82 102.53 14.33 Favored 'General case' 0 C--O 1.27 2.146 0 N-CA-C 104.212 -2.514 . . . . 11.85 104.212 159.08 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 31.0 p -72.5 -19.2 61.58 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-N 116.047 -0.524 . . . . 10.4 111.444 -171.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.4 tttm -70.91 -37.31 72.93 Favored 'General case' 0 C--O 1.246 0.903 0 C-N-CA 118.807 -1.157 . . . . 27.41 112.001 178.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.5 m -110.06 3.96 9.03 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.409 0 N-CA-C 113.854 1.057 . . . . 11.47 113.854 -177.084 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.8 tp -58.45 127.12 30.56 Favored 'General case' 0 C--O 1.26 1.647 0 C-N-CA 118.693 -1.203 . . . . 8.56 109.88 177.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 86.35 -5.56 84.11 Favored Glycine 0 C--N 1.353 1.502 0 CA-C-O 119.208 -0.773 . . . . 7.48 113.857 -179.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 55.9 mt -110.49 -35.09 6.13 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 117.479 0.64 . . . . 12.47 112.038 174.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 52.3 t -126.3 121.67 23.83 Favored Pre-proline 0 CA--C 1.551 1.004 0 N-CA-C 105.372 -2.084 . . . . 8.23 105.372 179.4 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -59.17 142.76 99.64 Favored 'Trans proline' 0 N--CA 1.463 -0.295 0 C-N-CA 120.307 0.671 . . . . 11.67 111.598 174.666 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 98.06 5.62 57.24 Favored Glycine 0 C--O 1.222 -0.599 0 N-CA-C 110.067 -1.213 . . . . 9.6 110.067 174.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -79.93 10.9 3.7 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 114.978 1.473 . . . . 12.29 114.978 179.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -140.68 137.45 33.54 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 125.124 1.37 . . . . 9.96 108.486 -175.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.4 ' HB3' ' HD2' ' A' ' 17' ' ' LYS . 57.9 mmtt -136.22 120.73 18.2 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 106.817 -1.549 . . . . 25.31 106.817 178.652 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 21.3 ttm-85 -89.79 144.01 26.32 Favored 'General case' 0 N--CA 1.442 -0.833 0 O-C-N 123.751 0.657 . . . . 19.37 112.52 -178.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.557 ' CG2' ' HG3' ' A' ' 17' ' ' LYS . 4.5 pt -133.51 150.81 32.45 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.555 0 CA-C-N 115.005 -0.998 . . . . 14.72 111.996 169.587 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -92.31 120.47 32.87 Favored 'General case' 0 C--O 1.247 0.937 0 N-CA-C 108.009 -1.108 . . . . 19.78 108.009 176.694 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 36.6 mm -89.92 -46.67 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 109.385 -0.598 . . . . 16.99 109.385 -174.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.521 HG21 ' HG2' ' A' ' 36' ' ' GLU . 33.2 pt -71.96 144.75 12.88 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 C-N-CA 119.145 -1.022 . . . . 27.26 111.273 -174.871 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.293 0 N-CA-C 115.165 1.543 . . . . 39.11 115.165 179.414 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 500' ' ' AUC . . . . . 0.888 'AU ' ' C1 ' ' A' ' 500' ' ' AUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 505' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 506' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 507' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 508' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 509' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 510' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 511' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 512' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 513' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 514' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 515' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 516' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 517' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 518' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 519' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 520' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 521' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 522' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 523' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 524' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 525' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 526' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 527' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 528' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 529' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 530' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 531' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 532' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 533' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 534' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 535' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 536' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 537' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 538' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_