data_1c0c_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 1c0c _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' ' ' LYS . . . . . 0.458 ' CD ' ' ND2' ' A' ' 113' ' ' ASN . 10.7 pttm . . . . . 0 C--O 1.243 0.739 0 CA-C-O 121.743 0.782 . . . . 100.0 111.903 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.02 7.06 1.39 Allowed 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 114.907 -1.042 . . . . 100.0 111.516 -174.605 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -171.63 -25.87 0.01 OUTLIER 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 114.895 -1.048 . . . . 100.0 109.679 -177.867 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -82.42 -58.74 2.79 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 114.257 -1.338 . . . . 90.86 110.373 178.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.37 -28.32 58.8 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-O 121.688 0.756 . . . . 67.91 110.121 177.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.77 -52.77 10.59 Favored 'General case' 0 CA--C 1.5 -0.949 0 CA-C-N 115.072 -0.967 . . . . 63.41 110.891 179.138 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -47.48 -51.07 21.55 Favored 'General case' 0 N--CA 1.428 -1.536 0 CA-C-N 114.446 -1.252 . . . . 71.95 110.422 176.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -59.18 -46.12 89.24 Favored 'General case' 0 N--CA 1.457 -0.084 0 N-CA-C 112.939 0.718 . . . . 47.59 112.939 177.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -64.25 -29.38 70.48 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 121.581 0.705 . . . . 76.79 111.464 -178.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -67.01 -49.48 65.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.563 -1.199 . . . . 89.23 111.76 -177.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLN . . . . . 0.421 ' O ' ' CE1' ' A' ' 46' ' ' PHE . 1.7 mt-30 -82.44 -49.59 9.79 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 114.27 1.211 . . . . 100.0 114.27 -176.85 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 42.3 m-70 -101.12 -11.16 19.81 Favored 'General case' 0 C--O 1.214 -0.78 0 N-CA-C 118.414 2.746 . . . . 39.67 118.414 -169.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' MET . . . . . 0.413 ' CE ' ' CG2' ' A' ' 54' ' ' VAL . 5.0 mmt -96.06 129.94 43.22 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 115.832 1.789 . . . . 59.85 115.832 -173.48 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -151.36 73.36 1.08 Allowed 'General case' 0 N--CA 1.437 -1.078 0 CA-C-N 115.246 -0.888 . . . . 73.72 112.502 172.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.9 m -94.34 58.68 2.48 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.246 0.546 . . . . 100.0 112.422 -179.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.92 -12.96 5.85 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-O 122.559 1.171 . . . . 79.68 110.392 177.586 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 t -145.09 141.55 28.92 Favored 'General case' 0 N--CA 1.434 -1.235 0 CA-C-N 113.986 -1.461 . . . . 94.61 112.001 -178.594 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.34 -43.17 99.46 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 115.821 -0.627 . . . . 88.26 110.39 -179.274 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ALA . . . . . 0.416 ' CB ' ' OE1' ' A' ' 101' ' ' GLN . . . -143.87 -159.89 1.05 Allowed 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.852 -1.067 . . . . 76.78 112.701 -176.452 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -162.19 107.47 1.23 Allowed 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 115.036 -0.984 . . . . 84.63 110.367 178.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' SER . . . . . 0.412 ' O ' ' CB ' ' A' ' 22' ' ' SER . 0.6 OUTLIER -116.13 84.81 2.18 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 112.703 0.631 . . . . 98.72 112.703 -179.708 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 21' ' ' SER . 1.0 OUTLIER 160.15 149.78 0.01 OUTLIER 'General case' 0 C--N 1.348 0.523 0 CA-C-N 115.271 -0.877 . . . . 81.11 112.991 -177.373 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' SER . . . . . 0.489 ' OG ' ' O ' ' A' ' 97' ' ' TYR . 42.5 t -73.72 -12.02 60.58 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-O 121.443 0.64 . . . . 87.52 110.319 173.129 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -58.05 -57.5 12.55 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-N 115.451 -0.795 . . . . 100.0 109.517 174.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -38.51 -73.01 0.05 Allowed 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 114.879 -1.055 . . . . 60.38 111.21 175.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 14.2 m -46.14 -48.76 17.3 Favored 'General case' 0 C--O 1.243 0.729 0 N-CA-C 115.475 1.657 . . . . 46.29 115.475 -178.29 -82.281 -70.615 -93.278 104.201 2.012 105.23 -39.167 -72.646 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -62.32 -42.33 99.28 Favored 'General case' 0 N--CA 1.437 -1.083 0 N-CA-C 113.407 0.891 . . . . 79.22 113.407 -177.03 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLN . . . . . 0.442 ' CG ' ' N ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -72.01 -43.7 64.62 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 116.172 -0.467 . . . . 100.0 111.873 179.111 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' MET . . . . . 0.442 ' N ' ' CG ' ' A' ' 28' ' ' GLN . 82.7 mmm -56.66 -60.04 4.13 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.422 -0.808 . . . . 52.42 113.032 -179.221 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 60.8 mmm -51.25 -33.52 28.6 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.75 0.786 . . . . 50.67 111.836 178.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.33 -47.22 35.88 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.117 -0.947 . . . . 91.89 111.003 176.984 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 28' ' ' GLN . 7.0 m -59.1 -50.79 72.7 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.733 -0.667 . . . . 74.66 112.763 179.001 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -76.68 14.01 0.89 Allowed 'General case' 0 CA--C 1.507 -0.691 0 C-N-CA 120.312 -0.555 . . . . 59.74 111.261 176.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ASN . . . . . 0.405 ' CB ' ' CD ' ' A' ' 37' ' ' LYS . 34.2 m-80 45.83 33.76 1.65 Allowed 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 114.986 -1.006 . . . . 87.3 113.177 -179.286 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LEU . . . . . 0.409 ' CD2' ' CD ' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -74.48 -12.94 60.62 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.842 0.83 . . . . 63.58 112.465 -179.138 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 30.3 p -89.68 -7.56 54.34 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 114.409 -1.268 . . . . 99.96 108.745 175.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LYS . . . . . 0.405 ' CD ' ' CB ' ' A' ' 34' ' ' ASN . 0.3 OUTLIER -54.95 124.6 17.25 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 114.231 -1.35 . . . . 100.0 111.199 -178.212 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 73.69 -68.3 0.23 Allowed 'General case' 0 N--CA 1.415 -2.187 0 O-C-N 124.417 1.073 . . . . 100.0 110.502 178.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -144.84 120.14 10.22 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 115.581 -0.736 . . . . 100.0 111.681 175.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.37 131.06 37.88 Favored 'General case' 0 N--CA 1.432 -1.364 0 CA-C-N 115.485 -0.78 . . . . 85.1 112.23 -177.147 11.84 128.884 95.903 102.172 2.017 104.198 153.98 -93.153 2 2 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LYS . . . . . 0.409 ' CD ' ' CD2' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -69.3 139.62 89.85 Favored Pre-proline 0 N--CA 1.439 -0.996 0 CA-C-N 114.985 -1.007 . . . . 86.98 112.076 -179.887 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -46.68 -62.89 0.38 Allowed 'Trans proline' 0 N--CA 1.437 -1.798 0 C-N-CA 121.826 1.684 . . . . 62.0 112.119 179.408 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.15 147.24 32.96 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.481 0 N-CA-C 112.843 0.683 . . . . 58.66 112.843 -176.473 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -152.86 136.84 16.31 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-O 121.183 0.516 . . . . 45.69 111.744 -178.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.3 135.09 50.2 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 113.589 0.959 . . . . 66.38 113.589 178.106 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' PHE . . . . . 0.421 ' CE1' ' O ' ' A' ' 11' ' ' GLN . 79.7 m-85 -111.62 128.51 56.07 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.334 1.054 . . . . 49.23 111.252 178.114 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.2 t -88.21 129.01 40.12 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.719 0 C-N-CA 120.266 -0.573 . . . . 40.29 110.765 175.529 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' HIS . . . . . 0.649 ' NE2' ' OG1' ' A' ' 82' ' ' THR . 64.4 m-70 -94.79 23.69 5.28 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.903 0.858 . . . . 56.82 111.712 -178.155 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLU . . . . . 0.422 ' OE1' ' CB ' ' A' ' 79' ' ' MET . 1.1 mt-10 -113.8 145.94 40.67 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 114.071 1.137 . . . . 100.0 114.071 -178.37 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.7 t -39.99 137.1 1.01 Allowed 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 114.496 -1.229 . . . . 100.0 111.967 178.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.2 -39.2 55.95 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-N 114.721 -1.127 . . . . 73.81 112.392 177.818 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.84 -38.98 83.86 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.905 0.859 . . . . 56.76 111.743 177.061 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -58.42 -40.38 82.31 Favored 'General case' 0 N--CA 1.428 -1.558 0 CA-C-O 121.81 0.814 . . . . 69.86 109.92 176.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' VAL . . . . . 0.413 ' CG2' ' CE ' ' A' ' 13' ' ' MET . 98.0 t -73.84 -31.83 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.146 0 N-CA-C 113.46 0.911 . . . . 54.25 113.46 -179.84 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -72.77 -40.77 65.7 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 119.19 -1.004 . . . . 100.0 109.978 176.232 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -39.49 -43.8 1.31 Allowed 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 114.376 -1.284 . . . . 51.23 110.656 175.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.6 t -53.32 -33.88 21.68 Favored 'Isoleucine or valine' 0 C--N 1.344 0.332 0 CA-C-N 115.025 -0.989 . . . . 46.17 112.01 -177.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 92.6 m -52.59 -20.38 2.97 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 122.753 1.263 . . . . 52.16 113.56 176.32 -66.419 -67.019 -78.716 102.752 2.02 104.21 -134.99 -49.741 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 99.4 p -128.06 68.7 1.34 Allowed 'General case' 0 N--CA 1.414 -2.254 0 CA-C-N 115.264 -0.88 . . . . 54.35 109.559 172.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' GLN . . . . . 0.444 ' CB ' ' CE2' ' A' ' 76' ' ' TYR . 9.7 mt-30 -138.33 -126.66 0.13 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.329 -0.85 . . . . 64.42 110.416 175.831 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -74.36 118.43 17.3 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 119.261 -0.976 . . . . 99.75 111.684 179.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -78.37 116.03 18.5 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-O 121.368 0.604 . . . . 92.47 112.105 178.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.1 m -121.41 -170.69 0.6 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-O 122.405 1.098 . . . . 62.78 112.828 -177.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ALA . . . . . 0.423 ' CB ' ' CG ' ' A' ' 69' ' ' GLN . . . -106.33 114.71 29.0 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-N 113.164 -1.834 . . . . 63.32 111.662 -178.35 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 67.3 m -51.67 162.57 0.38 Allowed 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 115.473 -0.785 . . . . 73.5 110.368 173.921 -72.353 -23.531 100.668 102.762 1.955 101.859 96.55 -99.572 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' LYS . . . . . 0.437 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 7.0 mtmt -83.09 35.21 0.48 Allowed 'General case' 0 N--CA 1.441 -0.88 0 CA-C-O 121.551 0.691 . . . . 100.0 110.297 174.387 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -159.51 -97.3 0.03 OUTLIER 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 115.373 -0.831 . . . . 100.0 111.377 -178.985 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLY . . . . . 0.441 ' O ' ' CB ' ' A' ' 69' ' ' GLN . . . -67.01 -69.67 1.31 Allowed Glycine 0 C--N 1.342 0.873 0 O-C-N 124.118 0.887 . . . . 100.0 111.666 177.267 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLN . . . . . 0.523 ' O ' ' O ' ' A' ' 70' ' ' THR . 0.0 OUTLIER 142.69 -170.35 0.0 OUTLIER 'General case' 0 CA--C 1.48 -1.732 0 C-N-CA 125.198 1.399 . . . . 100.0 110.525 175.918 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' THR . . . . . 0.523 ' O ' ' O ' ' A' ' 69' ' ' GLN . 0.6 OUTLIER -8.95 149.52 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 125.294 1.621 . . . . 100.0 112.953 177.853 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 96.25 5.37 0.03 OUTLIER 'General case' 0 N--CA 1.424 -1.729 0 N-CA-C 102.458 -3.164 . . . . 90.24 102.458 -152.055 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 1.1 m -111.85 121.61 45.52 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 111.042 -2.799 . . . . 65.4 110.53 171.992 -99.572 96.55 100.668 101.859 1.955 102.762 -23.531 -72.353 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -124.5 138.23 54.36 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-N 114.63 -1.168 . . . . 61.0 110.877 -175.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -106.82 135.34 48.52 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 115.212 -0.903 . . . . 68.82 110.729 -174.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 76' ' ' TYR . 33.1 p -66.01 123.89 21.06 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 123.695 0.622 . . . . 56.39 112.069 -179.571 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' TYR . . . . . 0.444 ' CE2' ' CB ' ' A' ' 60' ' ' GLN . 57.6 m-85 -41.03 -68.16 0.2 Allowed 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 119.919 -0.713 . . . . 76.52 111.364 -177.842 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' SER . . . . . 0.643 ' OG ' ' N ' ' A' ' 78' ' ' THR . 29.8 t -99.63 -133.55 0.26 Allowed 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 113.824 1.046 . . . . 100.0 113.824 -175.738 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' THR . . . . . 0.643 ' N ' ' OG ' ' A' ' 77' ' ' SER . 0.5 OUTLIER -114.87 131.61 56.79 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-N 113.754 -1.566 . . . . 74.89 114.588 -175.778 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' MET . . . . . 0.422 ' CB ' ' OE1' ' A' ' 49' ' ' GLU . 2.4 mmt -104.16 150.25 24.53 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 113.373 -1.74 . . . . 72.2 111.222 -178.456 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.97 101.13 8.46 Favored 'General case' 0 N--CA 1.439 -0.975 0 CA-C-N 115.165 -0.925 . . . . 65.05 109.958 173.078 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ILE . . . . . 0.466 ' CG2' ' N ' ' A' ' 82' ' ' THR . 1.2 mp -108.87 152.77 10.81 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 CA-C-O 122.095 0.95 . . . . 53.16 113.005 -179.219 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' THR . . . . . 0.649 ' OG1' ' NE2' ' A' ' 48' ' ' HIS . 94.1 m -130.16 127.57 40.0 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 115.46 -0.791 . . . . 46.56 110.145 172.574 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.46 130.56 45.73 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 115.958 -0.564 . . . . 98.3 111.144 -178.837 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 66.2 m -104.94 115.33 30.1 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.567 -0.531 . . . . 48.53 109.567 178.345 -72.646 -39.167 -93.278 105.23 2.012 104.201 -70.615 -82.281 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -112.54 119.92 39.84 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.817 -0.629 . . . . 100.0 111.305 -175.112 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -65.07 151.54 45.76 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 113.115 0.783 . . . . 83.85 113.115 -179.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' THR . . . . . 0.468 ' CG2' ' N ' ' A' ' 88' ' ' GLY . 1.2 m -160.9 166.9 27.67 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.467 -0.788 . . . . 96.57 111.127 -175.396 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' GLY . . . . . 0.468 ' N ' ' CG2' ' A' ' 87' ' ' THR . . . 110.72 -67.08 0.23 Allowed Glycine 0 CA--C 1.535 1.316 0 N-CA-C 112.773 -0.131 . . . . 100.0 112.773 -179.337 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' SER . . . . . 0.496 ' O ' ' OG ' ' A' ' 90' ' ' SER . 0.0 OUTLIER 96.96 134.28 0.02 OUTLIER 'General case' 0 C--N 1.35 0.619 0 C-N-CA 124.31 1.044 . . . . 100.0 111.81 -179.658 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' SER . . . . . 0.496 ' OG ' ' O ' ' A' ' 89' ' ' SER . 18.4 m 125.87 107.93 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 126.133 1.773 . . . . 100.0 112.564 -179.691 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.8 pttt -65.19 76.3 0.05 Allowed 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 115.343 -0.844 . . . . 94.57 112.274 179.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' TYR . . . . . 0.583 ' O ' ' N ' ' A' ' 94' ' ' ASN . 0.0 OUTLIER -175.03 -177.3 0.3 Allowed Pre-proline 0 N--CA 1.441 -0.917 0 CA-C-N 114.883 -1.053 . . . . 100.0 111.672 -179.494 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' A' ' 92' ' ' TYR . 11.0 Cg_exo -43.69 -6.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.366 1.475 0 N-CA-C 115.673 1.374 . . . . 100.0 115.673 -176.927 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ASN . . . . . 0.657 ' ND2' ' O ' ' A' ' 94' ' ' ASN . 0.3 OUTLIER -75.43 96.81 3.51 Favored 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 123.619 0.768 . . . . 100.0 110.883 172.323 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.4 m -137.85 113.64 9.75 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-N 115.573 -0.74 . . . . 84.31 110.804 177.766 -93.153 153.98 95.903 104.198 2.017 102.172 128.884 11.84 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -121.33 149.76 42.45 Favored 'General case' 0 CA--C 1.482 -1.67 0 N-CA-C 108.137 -1.06 . . . . 44.47 108.137 177.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' TYR . . . . . 0.489 ' O ' ' OG ' ' A' ' 23' ' ' SER . 90.9 m-85 -129.69 149.84 51.27 Favored 'General case' 0 CA--C 1.493 -1.228 0 CA-C-O 121.334 0.588 . . . . 52.76 111.646 -177.344 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' LYS . . . . . 0.4 ' NZ ' ' OG1' ' A' ' 87' ' ' THR . 0.1 OUTLIER -111.65 138.39 48.27 Favored 'General case' 0 N--CA 1.429 -1.5 0 CA-C-N 114.643 -1.162 . . . . 100.0 109.497 172.559 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' THR . . . . . 0.412 ' CB ' ' O ' ' A' ' 22' ' ' SER . 24.0 m -99.35 107.16 19.35 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.19 -0.914 . . . . 71.23 113.402 -174.204 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -103.69 126.85 51.09 Favored 'General case' 0 CA--C 1.502 -0.87 0 CA-C-N 115.175 -0.92 . . . . 72.99 108.576 175.838 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' GLN . . . . . 0.416 ' OE1' ' CB ' ' A' ' 19' ' ' ALA 0.293 0.0 OUTLIER -110.19 121.72 45.95 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 114.294 1.22 . . . . 100.0 114.294 -179.687 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ALA . . . . . 0.458 ' CB ' ' NZ ' ' A' ' 104' ' ' LYS . . . -113.22 177.45 4.63 Favored 'General case' 0 N--CA 1.417 -2.085 0 CA-C-N 114.619 -1.173 . . . . 56.31 112.398 -176.549 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -137.71 79.11 1.73 Allowed 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 113.702 -1.59 . . . . 100.0 108.492 172.129 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' LYS . . . . . 0.458 ' NZ ' ' CB ' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -118.8 -177.7 3.38 Favored 'General case' 0 N--CA 1.436 -1.125 0 CA-C-N 114.672 -1.149 . . . . 100.0 111.424 -175.932 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HIS . . . . . 0.456 ' CD2' ' CG2' ' A' ' 124' ' ' VAL . 5.3 p80 -111.46 153.7 25.76 Favored 'General case' 0 CA--C 1.49 -1.345 0 CA-C-N 114.939 -1.028 . . . . 81.05 109.473 -179.738 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -109.75 149.37 12.85 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.386 0 N-CA-C 114.185 1.18 . . . . 57.58 114.185 -175.441 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 5.4 mt -116.3 107.48 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 CA-C-N 113.889 -1.505 . . . . 49.18 109.546 173.284 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.9 m -118.16 163.38 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 CA-C-O 121.763 0.792 . . . . 44.16 112.696 -177.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -115.35 141.12 48.47 Favored 'General case' 0 CA--C 1.504 -0.807 0 CA-C-N 114.644 -1.162 . . . . 46.96 108.023 174.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 29.6 m -130.66 133.99 46.57 Favored 'General case' 0 CA--C 1.496 -1.101 0 N-CA-C 114.37 1.248 . . . . 58.62 114.37 -173.684 -49.741 -134.99 -78.716 104.21 2.02 102.752 -67.019 -66.419 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -106.72 99.35 8.93 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.531 -1.213 . . . . 100.0 108.634 169.181 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -75.34 160.72 52.5 Favored Glycine 0 C--N 1.34 0.8 0 CA-C-N 115.038 -0.983 . . . . 96.94 112.016 -174.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ASN . . . . . 0.458 ' ND2' ' CD ' ' A' ' 1' ' ' LYS . 7.2 p30 176.61 -24.51 0.0 OUTLIER Pre-proline 0 CA--C 1.538 0.514 0 N-CA-C 119.57 3.174 . . . . 100.0 119.57 -174.535 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -72.67 167.01 28.28 Favored 'Trans proline' 0 C--N 1.367 1.544 0 CA-C-N 122.674 1.991 . . . . 100.0 116.644 38.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -61.74 130.88 47.91 Favored 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 116.233 1.938 . . . . 100.0 116.233 -172.525 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' VAL . . . . . 0.413 ' O ' ' CG2' ' A' ' 116' ' ' VAL . 2.4 m -144.52 127.05 8.36 Favored Pre-proline 0 CA--C 1.51 -0.571 0 CA-C-N 114.319 -1.31 . . . . 68.12 111.119 -179.561 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -73.98 136.83 23.26 Favored 'Trans proline' 0 N--CA 1.438 -1.737 0 C-N-CA 121.994 1.796 . . . . 48.23 109.075 179.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 8.4 m -123.19 -29.66 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.172 0 N-CA-C 113.909 1.078 . . . . 60.13 113.909 -173.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HIS . . . . . 0.419 ' CG ' ' O ' ' A' ' 201' ' ' HOH . 11.2 t60 -134.52 118.82 17.73 Favored 'General case' 0 CA--C 1.505 -0.755 0 CA-C-O 121.672 0.749 . . . . 67.22 112.239 -177.844 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -85.43 104.78 15.54 Favored 'General case' 0 N--CA 1.427 -1.588 0 CA-C-N 115.511 -0.768 . . . . 60.38 109.789 175.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -75.55 -128.95 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.482 -0.326 . . . . 87.82 110.993 179.298 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.2 153.56 42.37 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 119.132 -1.027 . . . . 75.71 111.78 178.082 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' SER . . . . . 0.462 ' O ' ' OG ' ' A' ' 123' ' ' SER . 12.6 p -104.92 63.65 0.71 Allowed 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.336 -0.847 . . . . 100.0 108.717 171.763 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' VAL . . . . . 0.456 ' CG2' ' CD2' ' A' ' 105' ' ' HIS . 86.6 t . . . . . 0 C--O 1.248 1.01 0 CA-C-N 115.144 -0.935 . . . . 90.95 108.709 -170.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . 0.419 ' O ' ' CG ' ' A' ' 119' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' LYS . . . . . 0.643 ' CD ' HD22 ' A' ' 113' ' ' ASN . 10.7 pttm . . . . . 0 C--O 1.243 0.739 0 CA-C-O 121.743 0.782 . . . . 100.0 111.903 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.02 7.06 1.39 Allowed 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 114.907 -1.042 . . . . 100.0 111.516 -174.605 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -171.63 -25.87 0.01 OUTLIER 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 114.895 -1.048 . . . . 100.0 109.679 -177.867 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ALA . . . . . 0.402 ' HB1' ' HB ' ' A' ' 118' ' ' VAL . . . -82.42 -58.74 2.79 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 114.257 -1.338 . . . . 90.86 110.373 178.135 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.37 -28.32 58.8 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-O 121.688 0.756 . . . . 67.91 110.121 177.207 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.77 -52.77 10.59 Favored 'General case' 0 CA--C 1.5 -0.949 0 CA-C-N 115.072 -0.967 . . . . 63.41 110.891 179.138 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LYS . . . . . 0.558 ' HE2' ' S ' ' A' ' 151' ' ' SO4 . 4.0 tttt -47.48 -51.07 21.55 Favored 'General case' 0 N--CA 1.428 -1.536 0 CA-C-N 114.446 -1.252 . . . . 71.95 110.422 176.567 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' PHE . . . . . 0.787 ' CE2' ' HB2' ' A' ' 120' ' ' PHE . 12.0 t80 -59.18 -46.12 89.24 Favored 'General case' 0 N--CA 1.457 -0.084 0 N-CA-C 112.939 0.718 . . . . 47.59 112.939 177.696 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -64.25 -29.38 70.48 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 121.581 0.705 . . . . 76.79 111.464 -178.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -67.01 -49.48 65.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.563 -1.199 . . . . 89.23 111.76 -177.653 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLN . . . . . 0.731 ' HG2' HD21 ' A' ' 35' ' ' LEU . 17.8 mt-30 -82.44 -49.59 9.79 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 114.27 1.211 . . . . 100.0 114.27 -176.85 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 42.3 m-70 -101.12 -11.16 19.81 Favored 'General case' 0 C--O 1.214 -0.78 0 N-CA-C 118.414 2.746 . . . . 39.67 118.414 -169.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' MET . . . . . 1.005 ' HE1' HG21 ' A' ' 54' ' ' VAL . 5.0 mmt -96.06 129.94 43.22 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 115.832 1.789 . . . . 59.85 115.832 -173.48 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -151.36 73.36 1.08 Allowed 'General case' 0 N--CA 1.437 -1.078 0 CA-C-N 115.246 -0.888 . . . . 73.72 112.502 172.447 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.9 m -94.34 58.68 2.48 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.246 0.546 . . . . 100.0 112.422 -179.581 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.92 -12.96 5.85 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-O 122.559 1.171 . . . . 79.68 110.392 177.586 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' THR . . . . . 0.499 HG23 ' HD1' ' A' ' 48' ' ' HIS . 2.9 t -145.09 141.55 28.92 Favored 'General case' 0 N--CA 1.434 -1.235 0 CA-C-N 113.986 -1.461 . . . . 94.61 112.001 -178.594 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.34 -43.17 99.46 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 115.821 -0.627 . . . . 88.26 110.39 -179.274 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ALA . . . . . 0.654 ' HB1' ' OE1' ' A' ' 101' ' ' GLN . . . -143.87 -159.89 1.05 Allowed 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.852 -1.067 . . . . 76.78 112.701 -176.452 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -162.19 107.47 1.23 Allowed 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 115.036 -0.984 . . . . 84.63 110.367 178.204 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' SER . . . . . 0.682 ' O ' ' HB3' ' A' ' 22' ' ' SER . 0.6 OUTLIER -116.13 84.81 2.18 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 112.703 0.631 . . . . 98.72 112.703 -179.708 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 22' ' ' SER . . . . . 0.682 ' HB3' ' O ' ' A' ' 21' ' ' SER . 1.0 OUTLIER 160.15 149.78 0.01 OUTLIER 'General case' 0 C--N 1.348 0.523 0 CA-C-N 115.271 -0.877 . . . . 81.11 112.991 -177.373 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 23' ' ' SER . . . . . 0.552 ' HA ' ' OG1' ' A' ' 99' ' ' THR . 42.5 t -73.72 -12.02 60.58 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-O 121.443 0.64 . . . . 87.52 110.319 173.129 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASN . . . . . 0.406 ' HB3' ' OG ' ' A' ' 22' ' ' SER . 26.8 t-20 -58.05 -57.5 12.55 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-N 115.451 -0.795 . . . . 100.0 109.517 174.382 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -38.51 -73.01 0.05 Allowed 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 114.879 -1.055 . . . . 60.38 111.21 175.053 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 14.2 m -46.14 -48.76 17.3 Favored 'General case' 0 C--O 1.243 0.729 0 N-CA-C 115.475 1.657 . . . . 46.29 115.475 -178.29 -82.281 -70.615 -93.278 104.201 2.012 105.23 -39.167 -72.646 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -62.32 -42.33 99.28 Favored 'General case' 0 N--CA 1.437 -1.083 0 N-CA-C 113.407 0.891 . . . . 79.22 113.407 -177.03 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLN . . . . . 0.442 ' CG ' ' N ' ' A' ' 29' ' ' MET . 5.1 pt20 -72.01 -43.7 64.62 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 116.172 -0.467 . . . . 100.0 111.873 179.111 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' MET . . . . . 0.442 ' N ' ' CG ' ' A' ' 28' ' ' GLN . 82.7 mmm -56.66 -60.04 4.13 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.422 -0.808 . . . . 52.42 113.032 -179.221 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 60.8 mmm -51.25 -33.52 28.6 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.75 0.786 . . . . 50.67 111.836 178.231 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.33 -47.22 35.88 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.117 -0.947 . . . . 91.89 111.003 176.984 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' SER . . . . . 0.406 ' C ' ' H ' ' A' ' 34' ' ' ASN . 7.0 m -59.1 -50.79 72.7 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.733 -0.667 . . . . 74.66 112.763 179.001 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -76.68 14.01 0.89 Allowed 'General case' 0 CA--C 1.507 -0.691 0 C-N-CA 120.312 -0.555 . . . . 59.74 111.261 176.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ASN . . . . . 1.087 ' HB3' ' HD3' ' A' ' 37' ' ' LYS . 34.2 m-80 45.83 33.76 1.65 Allowed 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 114.986 -1.006 . . . . 87.3 113.177 -179.286 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LEU . . . . . 0.731 HD21 ' HG2' ' A' ' 11' ' ' GLN . 1.0 OUTLIER -74.48 -12.94 60.62 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.842 0.83 . . . . 63.58 112.465 -179.138 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 36' ' ' THR . . . . . 0.637 ' HA ' ' HB3' ' A' ' 40' ' ' CYS . 30.3 p -89.68 -7.56 54.34 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 114.409 -1.268 . . . . 99.96 108.745 175.558 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LYS . . . . . 1.087 ' HD3' ' HB3' ' A' ' 34' ' ' ASN . 0.3 OUTLIER -54.95 124.6 17.25 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 114.231 -1.35 . . . . 100.0 111.199 -178.212 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 73.69 -68.3 0.23 Allowed 'General case' 0 N--CA 1.415 -2.187 0 O-C-N 124.417 1.073 . . . . 100.0 110.502 178.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -144.84 120.14 10.22 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 115.581 -0.736 . . . . 100.0 111.681 175.775 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' CYS . . . . . 0.637 ' HB3' ' HA ' ' A' ' 36' ' ' THR . 0.1 OUTLIER -77.37 131.06 37.88 Favored 'General case' 0 N--CA 1.432 -1.364 0 CA-C-N 115.485 -0.78 . . . . 85.1 112.23 -177.147 11.84 128.884 95.903 102.172 2.017 104.198 153.98 -93.153 3 3 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LYS . . . . . 0.721 ' HD3' HD22 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -69.3 139.62 89.85 Favored Pre-proline 0 N--CA 1.439 -0.996 0 CA-C-N 114.985 -1.007 . . . . 86.98 112.076 -179.887 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 42' ' ' PRO . . . . . 0.473 ' HB2' HG12 ' A' ' 43' ' ' VAL . 10.7 Cg_exo -46.68 -62.89 0.38 Allowed 'Trans proline' 0 N--CA 1.437 -1.798 0 C-N-CA 121.826 1.684 . . . . 62.0 112.119 179.408 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' VAL . . . . . 0.473 HG12 ' HB2' ' A' ' 42' ' ' PRO . 0.2 OUTLIER -131.15 147.24 32.96 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.481 0 N-CA-C 112.843 0.683 . . . . 58.66 112.843 -176.473 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -152.86 136.84 16.31 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-O 121.183 0.516 . . . . 45.69 111.744 -178.727 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.3 135.09 50.2 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 113.589 0.959 . . . . 66.38 113.589 178.106 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' PHE . . . . . 0.421 ' CE1' ' O ' ' A' ' 11' ' ' GLN . 79.7 m-85 -111.62 128.51 56.07 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.334 1.054 . . . . 49.23 111.252 178.114 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.2 t -88.21 129.01 40.12 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.719 0 C-N-CA 120.266 -0.573 . . . . 40.29 110.765 175.529 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' HIS . . . . . 0.752 ' HB2' ' OG ' ' A' ' 80' ' ' SER . 64.4 m-70 -94.79 23.69 5.28 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.903 0.858 . . . . 56.82 111.712 -178.155 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLU . . . . . 0.529 ' OE1' ' HB3' ' A' ' 79' ' ' MET . 1.1 mt-10 -113.8 145.94 40.67 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 114.071 1.137 . . . . 100.0 114.071 -178.37 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' SER . . . . . 0.817 ' HB3' ' OD2' ' A' ' 53' ' ' ASP . 2.7 t -39.99 137.1 1.01 Allowed 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 114.496 -1.229 . . . . 100.0 111.967 178.998 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' LEU . . . . . 0.567 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 0.9 OUTLIER -51.2 -39.2 55.95 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-N 114.721 -1.127 . . . . 73.81 112.392 177.818 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.84 -38.98 83.86 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.905 0.859 . . . . 56.76 111.743 177.061 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ASP . . . . . 0.817 ' OD2' ' HB3' ' A' ' 50' ' ' SER . 68.4 m-20 -58.42 -40.38 82.31 Favored 'General case' 0 N--CA 1.428 -1.558 0 CA-C-O 121.81 0.814 . . . . 69.86 109.92 176.242 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' VAL . . . . . 1.005 HG21 ' HE1' ' A' ' 13' ' ' MET . 98.0 t -73.84 -31.83 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.146 0 N-CA-C 113.46 0.911 . . . . 54.25 113.46 -179.84 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLN . . . . . 0.567 ' HG3' ' O ' ' A' ' 51' ' ' LEU . 3.1 mt-30 -72.77 -40.77 65.7 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 119.19 -1.004 . . . . 100.0 109.978 176.232 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ALA . . . . . 0.425 ' C ' HE21 ' A' ' 60' ' ' GLN . . . -39.49 -43.8 1.31 Allowed 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 114.376 -1.284 . . . . 51.23 110.656 175.889 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' VAL . . . . . 0.897 ' HA ' ' HG3' ' A' ' 60' ' ' GLN . 27.6 t -53.32 -33.88 21.68 Favored 'Isoleucine or valine' 0 C--N 1.344 0.332 0 CA-C-N 115.025 -0.989 . . . . 46.17 112.01 -177.756 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 92.6 m -52.59 -20.38 2.97 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 122.753 1.263 . . . . 52.16 113.56 176.32 -66.419 -67.019 -78.716 102.752 2.02 104.21 -134.99 -49.741 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 99.4 p -128.06 68.7 1.34 Allowed 'General case' 0 N--CA 1.414 -2.254 0 CA-C-N 115.264 -0.88 . . . . 54.35 109.559 172.581 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' GLN . . . . . 0.897 ' HG3' ' HA ' ' A' ' 57' ' ' VAL . 9.7 mt-30 -138.33 -126.66 0.13 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.329 -0.85 . . . . 64.42 110.416 175.831 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -74.36 118.43 17.3 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 119.261 -0.976 . . . . 99.75 111.684 179.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -78.37 116.03 18.5 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-O 121.368 0.604 . . . . 92.47 112.105 178.231 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.1 m -121.41 -170.69 0.6 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-O 122.405 1.098 . . . . 62.78 112.828 -177.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ALA . . . . . 0.674 ' HA ' ' HG3' ' A' ' 69' ' ' GLN . . . -106.33 114.71 29.0 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-N 113.164 -1.834 . . . . 63.32 111.662 -178.35 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 67.3 m -51.67 162.57 0.38 Allowed 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 115.473 -0.785 . . . . 73.5 110.368 173.921 -72.353 -23.531 100.668 102.762 1.955 101.859 96.55 -99.572 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' LYS . . . . . 0.59 ' HB2' ' OD2' ' A' ' 121' ' ' ASP . 7.0 mtmt -83.09 35.21 0.48 Allowed 'General case' 0 N--CA 1.441 -0.88 0 CA-C-O 121.551 0.691 . . . . 100.0 110.297 174.387 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -159.51 -97.3 0.03 OUTLIER 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 115.373 -0.831 . . . . 100.0 111.377 -178.985 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLY . . . . . 0.765 ' O ' ' HB2' ' A' ' 69' ' ' GLN . . . -67.01 -69.67 1.31 Allowed Glycine 0 C--N 1.342 0.873 0 O-C-N 124.118 0.887 . . . . 100.0 111.666 177.267 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLN . . . . . 0.765 ' HB2' ' O ' ' A' ' 68' ' ' GLY . 0.0 OUTLIER 142.69 -170.35 0.0 OUTLIER 'General case' 0 CA--C 1.48 -1.732 0 C-N-CA 125.198 1.399 . . . . 100.0 110.525 175.918 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 70' ' ' THR . . . . . 0.523 ' O ' ' O ' ' A' ' 69' ' ' GLN . 0.6 OUTLIER -8.95 149.52 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 125.294 1.621 . . . . 100.0 112.953 177.853 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ASN . . . . . 0.701 ' O ' ' HA ' ' A' ' 109' ' ' ALA . 5.1 t-20 96.25 5.37 0.03 OUTLIER 'General case' 0 N--CA 1.424 -1.729 0 N-CA-C 102.458 -3.164 . . . . 90.24 102.458 -152.055 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 72' ' ' CYS . . . . . 0.492 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 1.1 m -111.85 121.61 45.52 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 111.042 -2.799 . . . . 65.4 110.53 171.992 -99.572 96.55 100.668 101.859 1.955 102.762 -23.531 -72.353 2 2 . 1 . 001 ecloud build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -124.5 138.23 54.36 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-N 114.63 -1.168 . . . . 61.0 110.877 -175.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' GLN . . . . . 0.724 ' HG3' ' CE1' ' A' ' 105' ' ' HIS . 13.7 tt0 -106.82 135.34 48.52 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 115.212 -0.903 . . . . 68.82 110.729 -174.843 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 75' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 76' ' ' TYR . 33.1 p -66.01 123.89 21.06 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 123.695 0.622 . . . . 56.39 112.069 -179.571 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' TYR . . . . . 0.809 ' CE2' ' HB3' ' A' ' 60' ' ' GLN . 57.6 m-85 -41.03 -68.16 0.2 Allowed 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 119.919 -0.713 . . . . 76.52 111.364 -177.842 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 77' ' ' SER . . . . . 0.643 ' OG ' ' N ' ' A' ' 78' ' ' THR . 29.8 t -99.63 -133.55 0.26 Allowed 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 113.824 1.046 . . . . 100.0 113.824 -175.738 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 78' ' ' THR . . . . . 0.643 ' N ' ' OG ' ' A' ' 77' ' ' SER . 0.5 OUTLIER -114.87 131.61 56.79 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-N 113.754 -1.566 . . . . 74.89 114.588 -175.778 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 79' ' ' MET . . . . . 0.658 ' HB2' ' CD1' ' A' ' 81' ' ' ILE . 2.4 mmt -104.16 150.25 24.53 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 113.373 -1.74 . . . . 72.2 111.222 -178.456 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' SER . . . . . 0.752 ' OG ' ' HB2' ' A' ' 48' ' ' HIS . 1.0 OUTLIER -79.97 101.13 8.46 Favored 'General case' 0 N--CA 1.439 -0.975 0 CA-C-N 115.165 -0.925 . . . . 65.05 109.958 173.078 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ILE . . . . . 0.658 ' CD1' ' HB2' ' A' ' 79' ' ' MET . 1.2 mp -108.87 152.77 10.81 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 CA-C-O 122.095 0.95 . . . . 53.16 113.005 -179.219 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' THR . . . . . 0.55 ' HG1' ' CD2' ' A' ' 48' ' ' HIS . 94.1 m -130.16 127.57 40.0 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 115.46 -0.791 . . . . 46.56 110.145 172.574 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ASP . . . . . 0.508 ' CB ' HG22 ' A' ' 100' ' ' THR . 0.7 OUTLIER -99.46 130.56 45.73 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 115.958 -0.564 . . . . 98.3 111.144 -178.837 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 66.2 m -104.94 115.33 30.1 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.567 -0.531 . . . . 48.53 109.567 178.345 -72.646 -39.167 -93.278 105.23 2.012 104.201 -70.615 -82.281 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' ARG . . . . . 0.475 HH12 HG21 ' A' ' 100' ' ' THR . 0.4 OUTLIER -112.54 119.92 39.84 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.817 -0.629 . . . . 100.0 111.305 -175.112 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 86' ' ' GLU . . . . . 0.704 ' HG3' ' N ' ' A' ' 87' ' ' THR . 1.5 tt0 -65.07 151.54 45.76 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 113.115 0.783 . . . . 83.85 113.115 -179.176 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 87' ' ' THR . . . . . 0.704 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 1.2 m -160.9 166.9 27.67 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.467 -0.788 . . . . 96.57 111.127 -175.396 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 88' ' ' GLY . . . . . 0.528 ' O ' ' HB3' ' A' ' 89' ' ' SER . . . 110.72 -67.08 0.23 Allowed Glycine 0 CA--C 1.535 1.316 0 N-CA-C 112.773 -0.131 . . . . 100.0 112.773 -179.337 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 89' ' ' SER . . . . . 0.528 ' HB3' ' O ' ' A' ' 88' ' ' GLY . 0.0 OUTLIER 96.96 134.28 0.02 OUTLIER 'General case' 0 C--N 1.35 0.619 0 C-N-CA 124.31 1.044 . . . . 100.0 111.81 -179.658 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 90' ' ' SER . . . . . 0.457 ' OG ' ' O ' ' A' ' 89' ' ' SER . 18.4 m 125.87 107.93 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 126.133 1.773 . . . . 100.0 112.564 -179.691 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.8 pttt -65.19 76.3 0.05 Allowed 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 115.343 -0.844 . . . . 94.57 112.274 179.536 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' TYR . . . . . 0.698 ' HB3' ' HD2' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -175.03 -177.3 0.3 Allowed Pre-proline 0 N--CA 1.441 -0.917 0 CA-C-N 114.883 -1.053 . . . . 100.0 111.672 -179.494 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 93' ' ' PRO . . . . . 0.698 ' HD2' ' HB3' ' A' ' 92' ' ' TYR . 11.0 Cg_exo -43.69 -6.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.366 1.475 0 N-CA-C 115.673 1.374 . . . . 100.0 115.673 -176.927 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ASN . . . . . 0.657 ' ND2' ' O ' ' A' ' 94' ' ' ASN . 0.3 OUTLIER -75.43 96.81 3.51 Favored 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 123.619 0.768 . . . . 100.0 110.883 172.323 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.4 m -137.85 113.64 9.75 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-N 115.573 -0.74 . . . . 84.31 110.804 177.766 -93.153 153.98 95.903 104.198 2.017 102.172 128.884 11.84 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -121.33 149.76 42.45 Favored 'General case' 0 CA--C 1.482 -1.67 0 N-CA-C 108.137 -1.06 . . . . 44.47 108.137 177.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' TYR . . . . . 0.489 ' O ' ' OG ' ' A' ' 23' ' ' SER . 90.9 m-85 -129.69 149.84 51.27 Favored 'General case' 0 CA--C 1.493 -1.228 0 CA-C-O 121.334 0.588 . . . . 52.76 111.646 -177.344 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 98' ' ' LYS . . . . . 0.406 ' HG2' ' HB3' ' A' ' 85' ' ' ARG . 0.1 OUTLIER -111.65 138.39 48.27 Favored 'General case' 0 N--CA 1.429 -1.5 0 CA-C-N 114.643 -1.162 . . . . 100.0 109.497 172.559 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 99' ' ' THR . . . . . 0.552 ' OG1' ' HA ' ' A' ' 23' ' ' SER . 24.0 m -99.35 107.16 19.35 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.19 -0.914 . . . . 71.23 113.402 -174.204 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 100' ' ' THR . . . . . 0.508 HG22 ' CB ' ' A' ' 83' ' ' ASP . 0.4 OUTLIER -103.69 126.85 51.09 Favored 'General case' 0 CA--C 1.502 -0.87 0 CA-C-N 115.175 -0.92 . . . . 72.99 108.576 175.838 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 101' ' ' GLN . . . . . 0.654 ' OE1' ' HB1' ' A' ' 19' ' ' ALA 0.293 0.0 OUTLIER -110.19 121.72 45.95 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 114.294 1.22 . . . . 100.0 114.294 -179.687 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ALA . . . . . 0.729 ' HB3' ' HE2' ' A' ' 104' ' ' LYS . . . -113.22 177.45 4.63 Favored 'General case' 0 N--CA 1.417 -2.085 0 CA-C-N 114.619 -1.173 . . . . 56.31 112.398 -176.549 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -137.71 79.11 1.73 Allowed 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 113.702 -1.59 . . . . 100.0 108.492 172.129 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 104' ' ' LYS . . . . . 0.785 ' HB3' HG21 ' A' ' 124' ' ' VAL . 0.0 OUTLIER -118.8 -177.7 3.38 Favored 'General case' 0 N--CA 1.436 -1.125 0 CA-C-N 114.672 -1.149 . . . . 100.0 111.424 -175.932 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HIS . . . . . 0.93 ' CD2' HG22 ' A' ' 124' ' ' VAL . 5.3 p80 -111.46 153.7 25.76 Favored 'General case' 0 CA--C 1.49 -1.345 0 CA-C-N 114.939 -1.028 . . . . 81.05 109.473 -179.738 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ILE . . . . . 0.514 HD13 ' HG3' ' A' ' 79' ' ' MET . 0.1 OUTLIER -109.75 149.37 12.85 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.386 0 N-CA-C 114.185 1.18 . . . . 57.58 114.185 -175.441 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 5.4 mt -116.3 107.48 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 CA-C-N 113.889 -1.505 . . . . 49.18 109.546 173.284 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' VAL . . . . . 0.492 ' O ' ' HA ' ' A' ' 72' ' ' CYS . 2.9 m -118.16 163.38 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 CA-C-O 121.763 0.792 . . . . 44.16 112.696 -177.251 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 109' ' ' ALA . . . . . 0.701 ' HA ' ' O ' ' A' ' 71' ' ' ASN . . . -115.35 141.12 48.47 Favored 'General case' 0 CA--C 1.504 -0.807 0 CA-C-N 114.644 -1.162 . . . . 46.96 108.023 174.628 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 29.6 m -130.66 133.99 46.57 Favored 'General case' 0 CA--C 1.496 -1.101 0 N-CA-C 114.37 1.248 . . . . 58.62 114.37 -173.684 -49.741 -134.99 -78.716 104.21 2.02 102.752 -67.019 -66.419 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' GLU . . . . . 0.669 ' O ' HG22 ' A' ' 116' ' ' VAL . 29.5 mm-40 -106.72 99.35 8.93 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.531 -1.213 . . . . 100.0 108.634 169.181 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 112' ' ' GLY . . . . . 0.81 ' HA2' ' HA ' ' A' ' 115' ' ' TYR . . . -75.34 160.72 52.5 Favored Glycine 0 C--N 1.34 0.8 0 CA-C-N 115.038 -0.983 . . . . 96.94 112.016 -174.589 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ASN . . . . . 0.643 HD22 ' CD ' ' A' ' 1' ' ' LYS . 7.2 p30 176.61 -24.51 0.0 OUTLIER Pre-proline 0 CA--C 1.538 0.514 0 N-CA-C 119.57 3.174 . . . . 100.0 119.57 -174.535 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 114' ' ' PRO . . . . . 0.588 ' C ' ' H ' ' A' ' 113' ' ' ASN . 2.7 Cg_endo -72.67 167.01 28.28 Favored 'Trans proline' 0 C--N 1.367 1.544 0 CA-C-N 122.674 1.991 . . . . 100.0 116.644 38.859 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 115' ' ' TYR . . . . . 0.81 ' HA ' ' HA2' ' A' ' 112' ' ' GLY . 61.9 m-85 -61.74 130.88 47.91 Favored 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 116.233 1.938 . . . . 100.0 116.233 -172.525 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 116' ' ' VAL . . . . . 0.669 HG22 ' O ' ' A' ' 111' ' ' GLU . 2.4 m -144.52 127.05 8.36 Favored Pre-proline 0 CA--C 1.51 -0.571 0 CA-C-N 114.319 -1.31 . . . . 68.12 111.119 -179.561 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -73.98 136.83 23.26 Favored 'Trans proline' 0 N--CA 1.438 -1.737 0 C-N-CA 121.994 1.796 . . . . 48.23 109.075 179.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' VAL . . . . . 0.402 ' HB ' ' HB1' ' A' ' 4' ' ' ALA . 8.4 m -123.19 -29.66 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.172 0 N-CA-C 113.909 1.078 . . . . 60.13 113.909 -173.797 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HIS . . . . . 0.614 ' HB2' ' O ' ' A' ' 201' ' ' HOH . 11.2 t60 -134.52 118.82 17.73 Favored 'General case' 0 CA--C 1.505 -0.755 0 CA-C-O 121.672 0.749 . . . . 67.22 112.239 -177.844 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 120' ' ' PHE . . . . . 0.787 ' HB2' ' CE2' ' A' ' 8' ' ' PHE . 47.3 t80 -85.43 104.78 15.54 Favored 'General case' 0 N--CA 1.427 -1.588 0 CA-C-N 115.511 -0.768 . . . . 60.38 109.789 175.746 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 121' ' ' ASP . . . . . 0.59 ' OD2' ' HB2' ' A' ' 66' ' ' LYS . 1.7 t70 -75.55 -128.95 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.482 -0.326 . . . . 87.82 110.993 179.298 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.2 153.56 42.37 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 119.132 -1.027 . . . . 75.71 111.78 178.082 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' SER . . . . . 0.633 ' HB3' ' HZ ' ' A' ' 120' ' ' PHE . 12.6 p -104.92 63.65 0.71 Allowed 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.336 -0.847 . . . . 100.0 108.717 171.763 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 124' ' ' VAL . . . . . 0.93 HG22 ' CD2' ' A' ' 105' ' ' HIS . 86.6 t . . . . . 0 C--O 1.248 1.01 0 CA-C-N 115.144 -0.935 . . . . 90.95 108.709 -170.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 150' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 151' ' ' SO4 . . . . . 0.558 ' S ' ' HE2' ' A' ' 7' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 152' ' ' SO4 . . . . . 0.524 ' O2 ' ' HA ' ' A' ' 113' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . 0.614 ' O ' ' HB2' ' A' ' 119' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.643 ' CD ' HD22 ' A' ' 113' ' ' ASN . 10.7 pttm . . . . . 0 C--O 1.243 0.739 0 CA-C-O 121.743 0.782 . . . . 100.0 111.903 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.02 7.06 1.39 Allowed 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 114.907 -1.042 . . . . 100.0 111.516 -174.605 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -171.63 -25.87 0.01 OUTLIER 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 114.895 -1.048 . . . . 100.0 109.679 -177.867 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.402 ' HB1' ' HB ' ' A' ' 118' ' ' VAL . . . -82.42 -58.74 2.79 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 114.257 -1.338 . . . . 90.86 110.373 178.135 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.37 -28.32 58.8 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-O 121.688 0.756 . . . . 67.91 110.121 177.207 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.77 -52.77 10.59 Favored 'General case' 0 CA--C 1.5 -0.949 0 CA-C-N 115.072 -0.967 . . . . 63.41 110.891 179.138 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.558 ' HE2' ' S ' ' A' ' 151' ' ' SO4 . 4.0 tttt -47.48 -51.07 21.55 Favored 'General case' 0 N--CA 1.428 -1.536 0 CA-C-N 114.446 -1.252 . . . . 71.95 110.422 176.567 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.787 ' CE2' ' HB2' ' A' ' 120' ' ' PHE . 12.0 t80 -59.18 -46.12 89.24 Favored 'General case' 0 N--CA 1.457 -0.084 0 N-CA-C 112.939 0.718 . . . . 47.59 112.939 177.696 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -64.25 -29.38 70.48 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 121.581 0.705 . . . . 76.79 111.464 -178.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -67.01 -49.48 65.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.563 -1.199 . . . . 89.23 111.76 -177.653 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.731 ' HG2' HD21 ' A' ' 35' ' ' LEU . 1.7 mt-30 -82.44 -49.59 9.79 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 114.27 1.211 . . . . 100.0 114.27 -176.85 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 42.3 m-70 -101.12 -11.16 19.81 Favored 'General case' 0 C--O 1.214 -0.78 0 N-CA-C 118.414 2.746 . . . . 39.67 118.414 -169.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' MET . . . . . 1.005 ' HE1' HG21 ' A' ' 54' ' ' VAL . 5.0 mmt -96.06 129.94 43.22 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 115.832 1.789 . . . . 59.85 115.832 -173.48 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -151.36 73.36 1.08 Allowed 'General case' 0 N--CA 1.437 -1.078 0 CA-C-N 115.246 -0.888 . . . . 73.72 112.502 172.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.9 m -94.34 58.68 2.48 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.246 0.546 . . . . 100.0 112.422 -179.581 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.92 -12.96 5.85 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-O 122.559 1.171 . . . . 79.68 110.392 177.586 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' THR . . . . . 0.499 HG23 ' HD1' ' A' ' 48' ' ' HIS . 2.9 t -145.09 141.55 28.92 Favored 'General case' 0 N--CA 1.434 -1.235 0 CA-C-N 113.986 -1.461 . . . . 94.61 112.001 -178.594 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.34 -43.17 99.46 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 115.821 -0.627 . . . . 88.26 110.39 -179.274 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.654 ' HB1' ' OE1' ' A' ' 101' ' ' GLN . . . -143.87 -159.89 1.05 Allowed 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.852 -1.067 . . . . 76.78 112.701 -176.452 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -162.19 107.47 1.23 Allowed 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 115.036 -0.984 . . . . 84.63 110.367 178.204 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' SER . . . . . 0.682 ' O ' ' HB3' ' A' ' 22' ' ' SER . 0.6 OUTLIER -116.13 84.81 2.18 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 112.703 0.631 . . . . 98.72 112.703 -179.708 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' SER . . . . . 0.682 ' HB3' ' O ' ' A' ' 21' ' ' SER . 1.0 OUTLIER 160.15 149.78 0.01 OUTLIER 'General case' 0 C--N 1.348 0.523 0 CA-C-N 115.271 -0.877 . . . . 81.11 112.991 -177.373 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' SER . . . . . 0.552 ' HA ' ' OG1' ' A' ' 99' ' ' THR . 42.5 t -73.72 -12.02 60.58 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-O 121.443 0.64 . . . . 87.52 110.319 173.129 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.406 ' HB3' ' OG ' ' A' ' 22' ' ' SER . 26.8 t-20 -58.05 -57.5 12.55 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-N 115.451 -0.795 . . . . 100.0 109.517 174.382 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -38.51 -73.01 0.05 Allowed 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 114.879 -1.055 . . . . 60.38 111.21 175.053 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 14.2 m -46.14 -48.76 17.3 Favored 'General case' 0 C--O 1.243 0.729 0 N-CA-C 115.475 1.657 . . . . 46.29 115.475 -178.29 -82.281 -70.615 -93.278 104.201 2.012 105.23 -39.167 -72.646 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -62.32 -42.33 99.28 Favored 'General case' 0 N--CA 1.437 -1.083 0 N-CA-C 113.407 0.891 . . . . 79.22 113.407 -177.03 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.442 ' CG ' ' N ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -72.01 -43.7 64.62 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 116.172 -0.467 . . . . 100.0 111.873 179.111 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' MET . . . . . 0.442 ' N ' ' CG ' ' A' ' 28' ' ' GLN . 82.7 mmm -56.66 -60.04 4.13 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.422 -0.808 . . . . 52.42 113.032 -179.221 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 60.8 mmm -51.25 -33.52 28.6 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.75 0.786 . . . . 50.67 111.836 178.231 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.33 -47.22 35.88 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.117 -0.947 . . . . 91.89 111.003 176.984 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' SER . . . . . 0.406 ' C ' ' H ' ' A' ' 34' ' ' ASN . 7.0 m -59.1 -50.79 72.7 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.733 -0.667 . . . . 74.66 112.763 179.001 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -76.68 14.01 0.89 Allowed 'General case' 0 CA--C 1.507 -0.691 0 C-N-CA 120.312 -0.555 . . . . 59.74 111.261 176.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ASN . . . . . 1.087 ' HB3' ' HD3' ' A' ' 37' ' ' LYS . 34.2 m-80 45.83 33.76 1.65 Allowed 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 114.986 -1.006 . . . . 87.3 113.177 -179.286 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.731 HD21 ' HG2' ' A' ' 11' ' ' GLN . 1.0 OUTLIER -74.48 -12.94 60.62 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.842 0.83 . . . . 63.58 112.465 -179.138 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' THR . . . . . 0.637 ' HA ' ' HB3' ' A' ' 40' ' ' CYS . 30.3 p -89.68 -7.56 54.34 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 114.409 -1.268 . . . . 99.96 108.745 175.558 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LYS . . . . . 1.087 ' HD3' ' HB3' ' A' ' 34' ' ' ASN . 0.3 OUTLIER -54.95 124.6 17.25 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 114.231 -1.35 . . . . 100.0 111.199 -178.212 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 73.69 -68.3 0.23 Allowed 'General case' 0 N--CA 1.415 -2.187 0 O-C-N 124.417 1.073 . . . . 100.0 110.502 178.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -144.84 120.14 10.22 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 115.581 -0.736 . . . . 100.0 111.681 175.775 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.637 ' HB3' ' HA ' ' A' ' 36' ' ' THR . 0.1 OUTLIER -77.37 131.06 37.88 Favored 'General case' 0 N--CA 1.432 -1.364 0 CA-C-N 115.485 -0.78 . . . . 85.1 112.23 -177.147 11.84 128.884 95.903 102.172 2.017 104.198 153.98 -93.153 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.721 ' HD3' HD22 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -69.3 139.62 89.85 Favored Pre-proline 0 N--CA 1.439 -0.996 0 CA-C-N 114.985 -1.007 . . . . 86.98 112.076 -179.887 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.473 ' HB2' HG12 ' A' ' 43' ' ' VAL . 10.7 Cg_exo -46.68 -62.89 0.38 Allowed 'Trans proline' 0 N--CA 1.437 -1.798 0 C-N-CA 121.826 1.684 . . . . 62.0 112.119 179.408 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.473 HG12 ' HB2' ' A' ' 42' ' ' PRO . 0.2 OUTLIER -131.15 147.24 32.96 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.481 0 N-CA-C 112.843 0.683 . . . . 58.66 112.843 -176.473 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -152.86 136.84 16.31 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-O 121.183 0.516 . . . . 45.69 111.744 -178.727 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.3 135.09 50.2 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 113.589 0.959 . . . . 66.38 113.589 178.106 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.421 ' CE1' ' O ' ' A' ' 11' ' ' GLN . 79.7 m-85 -111.62 128.51 56.07 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.334 1.054 . . . . 49.23 111.252 178.114 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.2 t -88.21 129.01 40.12 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.719 0 C-N-CA 120.266 -0.573 . . . . 40.29 110.765 175.529 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.752 ' HB2' ' OG ' ' A' ' 80' ' ' SER . 64.4 m-70 -94.79 23.69 5.28 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.903 0.858 . . . . 56.82 111.712 -178.155 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.529 ' OE1' ' HB3' ' A' ' 79' ' ' MET . 1.1 mt-10 -113.8 145.94 40.67 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 114.071 1.137 . . . . 100.0 114.071 -178.37 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' SER . . . . . 0.817 ' HB3' ' OD2' ' A' ' 53' ' ' ASP . 2.7 t -39.99 137.1 1.01 Allowed 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 114.496 -1.229 . . . . 100.0 111.967 178.998 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.567 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 0.9 OUTLIER -51.2 -39.2 55.95 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-N 114.721 -1.127 . . . . 73.81 112.392 177.818 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.84 -38.98 83.86 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.905 0.859 . . . . 56.76 111.743 177.061 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.817 ' OD2' ' HB3' ' A' ' 50' ' ' SER . 68.4 m-20 -58.42 -40.38 82.31 Favored 'General case' 0 N--CA 1.428 -1.558 0 CA-C-O 121.81 0.814 . . . . 69.86 109.92 176.242 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' VAL . . . . . 1.005 HG21 ' HE1' ' A' ' 13' ' ' MET . 98.0 t -73.84 -31.83 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.146 0 N-CA-C 113.46 0.911 . . . . 54.25 113.46 -179.84 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.567 ' HG3' ' O ' ' A' ' 51' ' ' LEU . 3.1 mt-30 -72.77 -40.77 65.7 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 119.19 -1.004 . . . . 100.0 109.978 176.232 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.425 ' C ' HE21 ' A' ' 60' ' ' GLN . . . -39.49 -43.8 1.31 Allowed 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 114.376 -1.284 . . . . 51.23 110.656 175.889 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.897 ' HA ' ' HG3' ' A' ' 60' ' ' GLN . 27.6 t -53.32 -33.88 21.68 Favored 'Isoleucine or valine' 0 C--N 1.344 0.332 0 CA-C-N 115.025 -0.989 . . . . 46.17 112.01 -177.756 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 92.6 m -52.59 -20.38 2.97 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 122.753 1.263 . . . . 52.16 113.56 176.32 -66.419 -67.019 -78.716 102.752 2.02 104.21 -134.99 -49.741 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 99.4 p -128.06 68.7 1.34 Allowed 'General case' 0 N--CA 1.414 -2.254 0 CA-C-N 115.264 -0.88 . . . . 54.35 109.559 172.581 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.897 ' HG3' ' HA ' ' A' ' 57' ' ' VAL . 9.7 mt-30 -138.33 -126.66 0.13 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.329 -0.85 . . . . 64.42 110.416 175.831 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -74.36 118.43 17.3 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 119.261 -0.976 . . . . 99.75 111.684 179.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -78.37 116.03 18.5 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-O 121.368 0.604 . . . . 92.47 112.105 178.231 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.1 m -121.41 -170.69 0.6 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-O 122.405 1.098 . . . . 62.78 112.828 -177.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.674 ' HA ' ' HG3' ' A' ' 69' ' ' GLN . . . -106.33 114.71 29.0 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-N 113.164 -1.834 . . . . 63.32 111.662 -178.35 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 67.3 m -51.67 162.57 0.38 Allowed 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 115.473 -0.785 . . . . 73.5 110.368 173.921 -72.353 -23.531 100.668 102.762 1.955 101.859 96.55 -99.572 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.59 ' HB2' ' OD2' ' A' ' 121' ' ' ASP . 7.0 mtmt -83.09 35.21 0.48 Allowed 'General case' 0 N--CA 1.441 -0.88 0 CA-C-O 121.551 0.691 . . . . 100.0 110.297 174.387 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -159.51 -97.3 0.03 OUTLIER 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 115.373 -0.831 . . . . 100.0 111.377 -178.985 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.765 ' O ' ' HB2' ' A' ' 69' ' ' GLN . . . -67.01 -69.67 1.31 Allowed Glycine 0 C--N 1.342 0.873 0 O-C-N 124.118 0.887 . . . . 100.0 111.666 177.267 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.765 ' HB2' ' O ' ' A' ' 68' ' ' GLY . 0.0 OUTLIER 142.69 -170.35 0.0 OUTLIER 'General case' 0 CA--C 1.48 -1.732 0 C-N-CA 125.198 1.399 . . . . 100.0 110.525 175.918 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' THR . . . . . 0.523 ' O ' ' O ' ' A' ' 69' ' ' GLN . 0.6 OUTLIER -8.95 149.52 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 125.294 1.621 . . . . 100.0 112.953 177.853 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.701 ' O ' ' HA ' ' A' ' 109' ' ' ALA . 0.2 OUTLIER 96.25 5.37 0.03 OUTLIER 'General case' 0 N--CA 1.424 -1.729 0 N-CA-C 102.458 -3.164 . . . . 90.24 102.458 -152.055 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.492 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 1.1 m -111.85 121.61 45.52 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 111.042 -2.799 . . . . 65.4 110.53 171.992 -99.572 96.55 100.668 101.859 1.955 102.762 -23.531 -72.353 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -124.5 138.23 54.36 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-N 114.63 -1.168 . . . . 61.0 110.877 -175.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.724 ' HG3' ' CE1' ' A' ' 105' ' ' HIS . 13.7 tt0 -106.82 135.34 48.52 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 115.212 -0.903 . . . . 68.82 110.729 -174.843 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 76' ' ' TYR . 33.1 p -66.01 123.89 21.06 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 123.695 0.622 . . . . 56.39 112.069 -179.571 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.809 ' CE2' ' HB3' ' A' ' 60' ' ' GLN . 57.6 m-85 -41.03 -68.16 0.2 Allowed 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 119.919 -0.713 . . . . 76.52 111.364 -177.842 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' SER . . . . . 0.643 ' OG ' ' N ' ' A' ' 78' ' ' THR . 29.8 t -99.63 -133.55 0.26 Allowed 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 113.824 1.046 . . . . 100.0 113.824 -175.738 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' THR . . . . . 0.643 ' N ' ' OG ' ' A' ' 77' ' ' SER . 0.5 OUTLIER -114.87 131.61 56.79 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-N 113.754 -1.566 . . . . 74.89 114.588 -175.778 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' MET . . . . . 0.658 ' HB2' ' CD1' ' A' ' 81' ' ' ILE . 2.4 mmt -104.16 150.25 24.53 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 113.373 -1.74 . . . . 72.2 111.222 -178.456 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' SER . . . . . 0.752 ' OG ' ' HB2' ' A' ' 48' ' ' HIS . 1.0 OUTLIER -79.97 101.13 8.46 Favored 'General case' 0 N--CA 1.439 -0.975 0 CA-C-N 115.165 -0.925 . . . . 65.05 109.958 173.078 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.658 ' CD1' ' HB2' ' A' ' 79' ' ' MET . 1.2 mp -108.87 152.77 10.81 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 CA-C-O 122.095 0.95 . . . . 53.16 113.005 -179.219 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' THR . . . . . 0.55 ' HG1' ' CD2' ' A' ' 48' ' ' HIS . 94.1 m -130.16 127.57 40.0 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 115.46 -0.791 . . . . 46.56 110.145 172.574 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.508 ' CB ' HG22 ' A' ' 100' ' ' THR . 0.7 OUTLIER -99.46 130.56 45.73 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 115.958 -0.564 . . . . 98.3 111.144 -178.837 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 66.2 m -104.94 115.33 30.1 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.567 -0.531 . . . . 48.53 109.567 178.345 -72.646 -39.167 -93.278 105.23 2.012 104.201 -70.615 -82.281 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.475 HH12 HG21 ' A' ' 100' ' ' THR . 0.4 OUTLIER -112.54 119.92 39.84 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.817 -0.629 . . . . 100.0 111.305 -175.112 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.704 ' HG3' ' N ' ' A' ' 87' ' ' THR . 1.5 tt0 -65.07 151.54 45.76 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 113.115 0.783 . . . . 83.85 113.115 -179.176 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' THR . . . . . 0.704 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 1.2 m -160.9 166.9 27.67 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.467 -0.788 . . . . 96.57 111.127 -175.396 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.528 ' O ' ' HB3' ' A' ' 89' ' ' SER . . . 110.72 -67.08 0.23 Allowed Glycine 0 CA--C 1.535 1.316 0 N-CA-C 112.773 -0.131 . . . . 100.0 112.773 -179.337 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' SER . . . . . 0.528 ' HB3' ' O ' ' A' ' 88' ' ' GLY . 0.0 OUTLIER 96.96 134.28 0.02 OUTLIER 'General case' 0 C--N 1.35 0.619 0 C-N-CA 124.31 1.044 . . . . 100.0 111.81 -179.658 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' SER . . . . . 0.457 ' OG ' ' O ' ' A' ' 89' ' ' SER . 18.4 m 125.87 107.93 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 126.133 1.773 . . . . 100.0 112.564 -179.691 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.8 pttt -65.19 76.3 0.05 Allowed 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 115.343 -0.844 . . . . 94.57 112.274 179.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.698 ' HB3' ' HD2' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -175.03 -177.3 0.3 Allowed Pre-proline 0 N--CA 1.441 -0.917 0 CA-C-N 114.883 -1.053 . . . . 100.0 111.672 -179.494 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.698 ' HD2' ' HB3' ' A' ' 92' ' ' TYR . 11.0 Cg_exo -43.69 -6.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.366 1.475 0 N-CA-C 115.673 1.374 . . . . 100.0 115.673 -176.927 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.657 ' ND2' ' O ' ' A' ' 94' ' ' ASN . 0.3 OUTLIER -75.43 96.81 3.51 Favored 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 123.619 0.768 . . . . 100.0 110.883 172.323 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.4 m -137.85 113.64 9.75 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-N 115.573 -0.74 . . . . 84.31 110.804 177.766 -93.153 153.98 95.903 104.198 2.017 102.172 128.884 11.84 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -121.33 149.76 42.45 Favored 'General case' 0 CA--C 1.482 -1.67 0 N-CA-C 108.137 -1.06 . . . . 44.47 108.137 177.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.489 ' O ' ' OG ' ' A' ' 23' ' ' SER . 90.9 m-85 -129.69 149.84 51.27 Favored 'General case' 0 CA--C 1.493 -1.228 0 CA-C-O 121.334 0.588 . . . . 52.76 111.646 -177.344 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.406 ' HG2' ' HB3' ' A' ' 85' ' ' ARG . 0.1 OUTLIER -111.65 138.39 48.27 Favored 'General case' 0 N--CA 1.429 -1.5 0 CA-C-N 114.643 -1.162 . . . . 100.0 109.497 172.559 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' THR . . . . . 0.552 ' OG1' ' HA ' ' A' ' 23' ' ' SER . 24.0 m -99.35 107.16 19.35 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.19 -0.914 . . . . 71.23 113.402 -174.204 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' THR . . . . . 0.508 HG22 ' CB ' ' A' ' 83' ' ' ASP . 0.4 OUTLIER -103.69 126.85 51.09 Favored 'General case' 0 CA--C 1.502 -0.87 0 CA-C-N 115.175 -0.92 . . . . 72.99 108.576 175.838 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.654 ' OE1' ' HB1' ' A' ' 19' ' ' ALA 0.293 0.0 OUTLIER -110.19 121.72 45.95 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 114.294 1.22 . . . . 100.0 114.294 -179.687 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.729 ' HB3' ' HE2' ' A' ' 104' ' ' LYS . . . -113.22 177.45 4.63 Favored 'General case' 0 N--CA 1.417 -2.085 0 CA-C-N 114.619 -1.173 . . . . 56.31 112.398 -176.549 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -137.71 79.11 1.73 Allowed 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 113.702 -1.59 . . . . 100.0 108.492 172.129 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.785 ' HB3' HG21 ' A' ' 124' ' ' VAL . 0.0 OUTLIER -118.8 -177.7 3.38 Favored 'General case' 0 N--CA 1.436 -1.125 0 CA-C-N 114.672 -1.149 . . . . 100.0 111.424 -175.932 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.93 ' CD2' HG22 ' A' ' 124' ' ' VAL . 5.3 p80 -111.46 153.7 25.76 Favored 'General case' 0 CA--C 1.49 -1.345 0 CA-C-N 114.939 -1.028 . . . . 81.05 109.473 -179.738 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.514 HD13 ' HG3' ' A' ' 79' ' ' MET . 0.1 OUTLIER -109.75 149.37 12.85 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.386 0 N-CA-C 114.185 1.18 . . . . 57.58 114.185 -175.441 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 5.4 mt -116.3 107.48 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 CA-C-N 113.889 -1.505 . . . . 49.18 109.546 173.284 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.492 ' O ' ' HA ' ' A' ' 72' ' ' CYS . 2.9 m -118.16 163.38 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 CA-C-O 121.763 0.792 . . . . 44.16 112.696 -177.251 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.701 ' HA ' ' O ' ' A' ' 71' ' ' ASN . . . -115.35 141.12 48.47 Favored 'General case' 0 CA--C 1.504 -0.807 0 CA-C-N 114.644 -1.162 . . . . 46.96 108.023 174.628 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 29.6 m -130.66 133.99 46.57 Favored 'General case' 0 CA--C 1.496 -1.101 0 N-CA-C 114.37 1.248 . . . . 58.62 114.37 -173.684 -49.741 -134.99 -78.716 104.21 2.02 102.752 -67.019 -66.419 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.669 ' O ' HG22 ' A' ' 116' ' ' VAL . 29.5 mm-40 -106.72 99.35 8.93 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.531 -1.213 . . . . 100.0 108.634 169.181 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.81 ' HA2' ' HA ' ' A' ' 115' ' ' TYR . . . -75.34 160.72 52.5 Favored Glycine 0 C--N 1.34 0.8 0 CA-C-N 115.038 -0.983 . . . . 96.94 112.016 -174.589 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.643 HD22 ' CD ' ' A' ' 1' ' ' LYS . 7.2 p30 176.61 -24.51 0.0 OUTLIER Pre-proline 0 CA--C 1.538 0.514 0 N-CA-C 119.57 3.174 . . . . 100.0 119.57 -174.535 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.588 ' C ' ' H ' ' A' ' 113' ' ' ASN . 2.7 Cg_endo -72.67 167.01 28.28 Favored 'Trans proline' 0 C--N 1.367 1.544 0 CA-C-N 122.674 1.991 . . . . 100.0 116.644 38.859 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.81 ' HA ' ' HA2' ' A' ' 112' ' ' GLY . 61.9 m-85 -61.74 130.88 47.91 Favored 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 116.233 1.938 . . . . 100.0 116.233 -172.525 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.669 HG22 ' O ' ' A' ' 111' ' ' GLU . 2.4 m -144.52 127.05 8.36 Favored Pre-proline 0 CA--C 1.51 -0.571 0 CA-C-N 114.319 -1.31 . . . . 68.12 111.119 -179.561 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -73.98 136.83 23.26 Favored 'Trans proline' 0 N--CA 1.438 -1.737 0 C-N-CA 121.994 1.796 . . . . 48.23 109.075 179.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.402 ' HB ' ' HB1' ' A' ' 4' ' ' ALA . 8.4 m -123.19 -29.66 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.172 0 N-CA-C 113.909 1.078 . . . . 60.13 113.909 -173.797 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.614 ' HB2' ' O ' ' A' ' 201' ' ' HOH . 11.2 t60 -134.52 118.82 17.73 Favored 'General case' 0 CA--C 1.505 -0.755 0 CA-C-O 121.672 0.749 . . . . 67.22 112.239 -177.844 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.787 ' HB2' ' CE2' ' A' ' 8' ' ' PHE . 47.3 t80 -85.43 104.78 15.54 Favored 'General case' 0 N--CA 1.427 -1.588 0 CA-C-N 115.511 -0.768 . . . . 60.38 109.789 175.746 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.59 ' OD2' ' HB2' ' A' ' 66' ' ' LYS . 1.7 t70 -75.55 -128.95 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.482 -0.326 . . . . 87.82 110.993 179.298 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.2 153.56 42.37 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 119.132 -1.027 . . . . 75.71 111.78 178.082 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' SER . . . . . 0.633 ' HB3' ' HZ ' ' A' ' 120' ' ' PHE . 12.6 p -104.92 63.65 0.71 Allowed 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.336 -0.847 . . . . 100.0 108.717 171.763 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.93 HG22 ' CD2' ' A' ' 105' ' ' HIS . 86.6 t . . . . . 0 C--O 1.248 1.01 0 CA-C-N 115.144 -0.935 . . . . 90.95 108.709 -170.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' SO4 . . . . . 0.558 ' S ' ' HE2' ' A' ' 7' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' SO4 . . . . . 0.524 ' O2 ' ' HA ' ' A' ' 113' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . 0.614 ' O ' ' HB2' ' A' ' 119' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_