data_6moq_residue ############################ # Computer software used # ############################ 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 6moq _Structure_validation_residue.Date_analyzed 2019-01-04 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' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo . . . . . 0 CA--C 1.546 1.115 0 CA-C-O 121.778 0.658 . . . . 85.95 113.359 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ASN . . . . . 0.604 ' O ' ' NH2' ' A' ' 136' ' ' ARG . 70.4 m-20 -84.8 40.2 0.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 84.5 111.871 174.415 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -63.63 -29.44 70.69 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 119.176 0.898 . . . . 53.64 111.22 175.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.7 m -55.47 141.25 37.46 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 120.955 0.407 . . . . 53.58 110.915 -178.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 145.52 -174.78 25.39 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 119.605 -1.284 . . . . 59.93 112.095 177.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -113.32 119.84 39.07 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 114.146 -1.027 . . . . 68.49 108.621 -178.527 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 87.8 m95 -115.63 133.92 55.55 Favored 'General case' 0 C--O 1.236 0.371 0 O-C-N 123.424 0.452 . . . . 49.05 111.121 -170.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . 0.606 ' NZ ' ' O ' ' A' ' 303' ' ' HOH . 35.0 pttt -118.83 139.36 51.73 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 115.906 -0.588 . . . . 64.23 109.982 175.141 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.5 tt -78.08 142.7 13.78 Favored 'Isoleucine or valine' 0 C--O 1.241 0.626 0 CA-C-N 115.095 -0.957 . . . . 53.24 110.176 -170.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.0 pt -123.44 -15.73 5.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 N-CA-C 113.06 0.763 . . . . 62.68 113.06 175.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.9 ttm-85 -151.78 131.68 13.33 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.295 -1.002 . . . . 65.51 108.295 -177.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.8 t -143.11 128.35 18.74 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.455 -1.313 . . . . 58.8 107.455 172.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -156.64 162.62 39.84 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 118.629 -1.228 . . . . 66.15 111.122 -166.338 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 t30 60.2 22.05 11.4 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 114.362 -1.29 . . . . 76.35 110.982 -174.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -76.56 -43.82 37.29 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 119.211 -0.996 . . . . 72.2 111.822 -171.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -64.81 -35.63 81.72 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-N 116.125 -0.489 . . . . 61.79 111.387 -176.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -72.39 -28.5 63.04 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 119.356 -0.938 . . . . 84.14 111.409 -179.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 tt -65.37 -44.59 87.13 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 118.148 -1.421 . . . . 62.8 110.712 170.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.9 mt -62.76 -32.37 73.5 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 112.174 0.435 . . . . 63.59 112.174 179.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -61.38 -40.45 94.37 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.387 -0.525 . . . . 70.9 111.008 179.396 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 49.5 t -50.89 -28.58 6.46 Favored 'Isoleucine or valine' 0 C--O 1.238 0.447 0 N-CA-C 112.351 0.501 . . . . 79.78 112.351 -179.17 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 mp -98.96 -16.17 18.85 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 114.231 1.197 . . . . 88.26 114.231 -176.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 103.95 12.4 29.93 Favored Glycine 0 N--CA 1.439 -1.109 0 CA-C-O 118.836 -0.98 . . . . 73.79 114.681 -177.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.4 t -60.22 122.94 11.79 Favored 'Isoleucine or valine' 0 C--O 1.241 0.639 0 CA-C-N 118.276 1.038 . . . . 69.44 109.827 169.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 55.4 m-20 -41.25 154.42 0.04 OUTLIER 'General case' 0 CA--C 1.506 -0.744 0 C-N-CA 126.829 2.051 . . . . 85.48 114.592 166.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.0 p -63.65 -44.54 98.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 C-N-CA 119.735 -0.786 . . . . 66.85 110.82 179.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 64.5 mtp -63.46 -53.94 44.3 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 119.733 -0.787 . . . . 72.39 111.093 179.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.1 mt -58.42 -32.94 69.14 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 119.482 -0.887 . . . . 73.51 110.848 177.214 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 60.2 mtm-85 -60.6 -50.82 71.97 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 119.882 -0.727 . . . . 66.88 110.324 172.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -61.75 -47.17 86.4 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 119.758 -0.777 . . . . 49.43 110.905 -174.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 pt -67.16 -29.62 46.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 C-N-CA 118.661 -1.215 . . . . 66.47 110.143 178.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.28 -41.73 89.44 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 119.783 -0.767 . . . . 52.72 110.908 174.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.5 t -58.33 -49.56 81.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 120.907 0.384 . . . . 52.94 110.368 176.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.59 -45.29 94.51 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 119.604 -0.838 . . . . 49.6 110.768 179.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.23 -51.4 69.71 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 119.482 -0.887 . . . . 53.13 110.817 178.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.79 -22.82 15.5 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 113.028 0.751 . . . . 63.78 113.028 178.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 p -81.96 -9.99 59.4 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 112.848 0.684 . . . . 55.3 112.848 -176.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.4 mmtm -106.05 15.74 26.01 Favored 'General case' 0 C--O 1.243 0.732 0 N-CA-C 112.682 0.623 . . . . 80.62 112.682 176.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -64.59 140.5 58.87 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.117 0.484 . . . . 62.62 111.39 -175.393 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.76 149.86 43.54 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 123.849 0.86 . . . . 51.67 109.547 168.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 75.5 t -129.49 132.79 66.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 108.978 -0.749 . . . . 48.65 108.978 -174.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -121.96 121.87 38.07 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.977 -1.12 . . . . 66.1 107.977 173.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 96.3 mt -118.67 132.08 69.59 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 N-CA-C 109.127 -0.694 . . . . 49.87 109.127 -176.101 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 48.3 tttt -122.71 113.27 18.98 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 107.141 -1.429 . . . . 79.1 107.141 166.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -113.32 132.54 55.53 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 123.304 0.642 . . . . 54.44 110.024 -177.953 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -135.28 95.81 3.36 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 106.49 -1.67 . . . . 61.67 106.49 178.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.72 -118.83 12.2 Favored Glycine 0 CA--C 1.523 0.565 0 C-N-CA 119.734 -1.222 . . . . 48.3 110.271 -173.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.0 p-10 -97.22 10.54 39.19 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 112.397 0.517 . . . . 49.59 112.397 178.417 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 88.5 m -110.92 128.78 55.93 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 123.721 0.809 . . . . 54.14 109.713 -179.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -127.24 130.92 50.53 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.419 -0.355 . . . . 48.75 111.246 -169.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -112.31 123.87 51.23 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 108.621 -0.881 . . . . 54.98 108.621 163.056 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.2 mp -128.02 118.29 48.16 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 N-CA-C 107.82 -1.178 . . . . 66.76 107.82 -178.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -108.01 119.82 40.55 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 107.871 -1.159 . . . . 72.67 107.871 169.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.2 m -116.32 132.54 65.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 N-CA-C 106.83 -1.544 . . . . 47.81 106.83 175.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 52.9 p -138.09 145.44 41.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.213 -0.449 . . . . 48.91 110.506 -171.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.26 -160.81 0.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 126.002 1.721 . . . . 48.66 108.361 172.232 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 70.6 m -65.19 -42.51 93.52 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 119.936 -0.706 . . . . 52.1 111.639 -179.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.3 m -121.19 7.82 6.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 O-C-N 121.775 -0.578 . . . . 51.26 112.516 -173.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -144.49 140.87 29.17 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 118.437 0.562 . . . . 62.07 110.111 -176.356 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.6 t -141.27 144.77 34.85 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 108.903 -0.777 . . . . 49.33 108.903 175.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.2 t -144.08 143.95 31.38 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.599 -0.728 . . . . 58.96 110.009 -179.346 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -117.53 143.05 46.46 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 123.345 0.658 . . . . 57.69 110.304 -179.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 15.6 pt -129.16 149.64 33.87 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-O 121.601 0.715 . . . . 59.3 110.061 163.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -128.94 132.46 47.63 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 107.914 -1.143 . . . . 65.2 107.914 172.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -155.44 166.43 33.56 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 118.812 -1.155 . . . . 53.72 109.399 -178.601 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -122.3 137.34 54.88 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 106.956 -1.498 . . . . 73.12 106.956 173.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 87.3 t -57.26 132.98 21.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 C-N-CA 118.196 -1.402 . . . . 48.53 107.768 178.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.41 -4.98 84.27 Favored Glycine 0 N--CA 1.441 -0.984 0 N-CA-C 115.707 1.043 . . . . 49.91 115.707 179.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLU . . . . . 0.72 ' CG ' ' OE1' ' A' ' 69' ' ' GLU . . . -119.67 118.52 31.16 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 118.882 1.341 . . . . 65.37 109.314 -169.954 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.61 142.32 58.44 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 121.816 0.817 . . . . 71.8 111.447 -177.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -146.16 176.14 9.96 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 106.272 -1.751 . . . . 60.22 106.272 -176.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLU . . . . . 0.53 ' OE2' ' NZ ' ' A' ' 82' ' ' LYS . 15.9 tt0 -114.77 138.75 50.36 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.072 0.463 . . . . 70.04 111.659 -175.989 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLU . . . . . 0.427 ' OE2' ' NE2' ' A' ' 97' ' ' GLN . 20.5 pt-20 -152.19 -166.19 2.42 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 107.865 -1.161 . . . . 66.22 107.865 177.425 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -121.9 139.22 53.91 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.294 -0.632 . . . . 69.78 109.294 -179.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.8 p -63.64 175.28 1.12 Allowed 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.724 0.773 . . . . 70.7 109.736 167.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.7 m -45.15 -56.41 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 CA-C-N 114.956 -1.02 . . . . 74.37 110.923 174.021 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -91.26 46.87 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 122.985 1.374 . . . . 78.4 111.793 -178.443 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 62.73 10.11 29.66 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 117.898 1.919 . . . . 68.32 117.898 163.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ARG . . . . . 0.467 ' NH2' ' O ' ' A' ' 103' ' ' GLU . 77.3 mtp180 -83.08 128.35 65.55 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 118.652 1.226 . . . . 72.68 109.699 179.2 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -67.42 138.63 46.84 Favored 'Trans proline' 0 C--O 1.234 0.288 0 CA-C-N 118.793 0.605 . . . . 79.78 111.917 -176.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 24.2 p -141.12 160.19 40.63 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.416 -0.811 . . . . 72.02 109.446 -177.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' LYS . . . . . 0.53 ' NZ ' ' OE2' ' A' ' 72' ' ' GLU . 19.8 mmtt -97.29 139.67 32.91 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 108.058 -1.089 . . . . 78.06 108.058 166.057 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.6 m -129.08 152.66 48.43 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 123.151 0.58 . . . . 58.08 110.744 -171.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 36.9 tp -143.34 117.89 9.76 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 108.039 -1.096 . . . . 55.16 108.039 -177.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 47.1 t -98.85 135.5 33.6 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 N-CA-C 108.68 -0.859 . . . . 48.56 108.68 -178.864 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 65.5 mttt -132.76 154.35 50.32 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.215 0.531 . . . . 50.86 110.03 171.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -76.91 139.7 40.29 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.6 -0.727 . . . . 52.9 110.537 174.453 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -100.48 -26.35 13.89 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.575 -0.739 . . . . 68.52 112.656 170.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 87.8 p -167.02 -172.89 2.17 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 105.222 -2.14 . . . . 47.94 105.222 -169.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.79 -40.69 93.54 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 118.624 -1.23 . . . . 74.89 111.402 -176.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -128.53 25.6 5.72 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 113.131 0.789 . . . . 61.21 113.131 -168.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -135.08 129.44 33.99 Favored 'General case' 0 CA--C 1.517 -0.313 0 O-C-N 121.392 -0.818 . . . . 52.21 109.539 172.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 14.9 ptp -117.82 145.87 44.25 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.567 -0.531 . . . . 53.29 109.567 177.658 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 99.5 t -120.46 140.05 45.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 N-CA-C 108.615 -0.883 . . . . 55.72 108.615 179.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 52.0 t -120.84 119.07 31.62 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 110.273 -0.269 . . . . 58.09 110.273 -178.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -91.54 139.32 30.82 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 123.36 0.412 . . . . 82.64 110.037 172.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' GLN . . . . . 0.427 ' NE2' ' OE2' ' A' ' 73' ' ' GLU . 79.8 mt-30 -123.08 145.18 48.78 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.147 0.499 . . . . 64.63 110.386 178.924 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -133.29 126.24 31.03 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 107.745 -1.205 . . . . 73.1 107.745 -179.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 25.4 mt -62.06 135.5 57.55 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.485 -0.486 . . . . 79.0 110.442 -179.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.0 mt -78.15 -21.38 50.37 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 113.009 0.744 . . . . 83.76 113.009 178.666 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' LYS . . . . . 0.404 ' O ' ' NH1' ' A' ' 79' ' ' ARG . 3.1 mttt -143.37 122.8 13.13 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 108.046 -1.094 . . . . 89.36 108.046 178.351 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 88.85 -156.93 26.89 Favored Glycine 0 C--O 1.236 0.27 0 CA-C-O 122.858 1.255 . . . . 86.91 113.83 166.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' GLU . . . . . 0.467 ' O ' ' NH2' ' A' ' 79' ' ' ARG . 7.1 pt-20 -122.38 174.0 7.29 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 114.159 -1.021 . . . . 109.1 109.833 -179.755 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 161.33 -170.04 37.01 Favored Glycine 0 N--CA 1.441 -0.999 0 N-CA-C 109.397 -1.481 . . . . 91.65 109.397 -174.747 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -78.05 155.61 29.88 Favored 'Trans proline' 0 C--N 1.329 -0.459 0 CA-C-O 121.833 0.68 . . . . 81.66 111.522 -179.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' LYS . . . . . 0.501 ' NZ ' ' O ' ' A' ' 305' ' ' HOH . 3.9 tttm -82.23 117.04 22.05 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 114.883 -1.053 . . . . 86.76 108.284 177.609 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 46.7 p -117.11 153.61 32.47 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 121.11 0.481 . . . . 66.65 110.646 -173.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.3 p -163.4 156.12 18.42 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.481 -0.781 . . . . 64.86 108.897 -178.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 37.2 p-90 -135.11 162.52 32.26 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 119.536 -0.866 . . . . 55.56 109.936 175.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 13.9 p -134.28 156.76 47.86 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-O 121.795 0.807 . . . . 52.78 110.136 177.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' LYS . . . . . 0.478 ' NZ ' ' O ' ' A' ' 306' ' ' HOH . 27.9 mttp -140.5 138.89 34.94 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 108.04 -1.096 . . . . 63.37 108.04 172.88 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -148.04 143.42 27.21 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 119.536 -0.866 . . . . 60.19 109.833 -174.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.6 mt -107.37 113.22 26.44 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 106.992 -1.484 . . . . 58.18 106.992 172.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 63.2 p -82.19 162.61 22.34 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 121.535 0.683 . . . . 60.8 110.129 178.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -71.14 -12.51 61.53 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 112.759 0.651 . . . . 72.53 112.759 177.055 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -80.94 -2.44 47.68 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 112.753 0.649 . . . . 71.86 112.753 171.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 81.04 26.91 51.77 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 114.954 0.741 . . . . 64.7 114.954 -176.043 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -104.39 146.02 29.43 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 118.036 0.918 . . . . 57.52 110.258 174.481 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 25.6 tp -100.72 122.64 43.7 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 107.935 -1.135 . . . . 50.58 107.935 169.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 18.8 mt -111.29 123.65 67.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 108.429 -0.952 . . . . 55.55 108.429 178.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 90.5 t90 -113.98 129.87 56.57 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 107.829 -1.174 . . . . 66.18 107.829 175.36 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.2 p -122.88 154.63 38.06 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 109.095 -0.706 . . . . 52.83 109.095 171.689 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 3.1 ttt -140.56 134.81 31.11 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.786 -1.097 . . . . 103.12 108.054 177.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 28.6 m -123.6 138.66 54.51 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 123.375 0.422 . . . . 56.41 109.995 -170.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -132.83 111.72 11.33 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 107.226 -1.398 . . . . 68.37 107.226 168.614 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 52.86 -119.44 1.51 Allowed 'General case' 0 C--O 1.234 0.241 0 C-N-CA 122.83 0.452 . . . . 82.12 111.165 -175.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -79.2 -5.74 54.97 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 113.653 0.983 . . . . 67.81 113.653 -178.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 59.4 t -111.72 130.67 64.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-N 119.228 0.922 . . . . 62.9 109.912 -161.028 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 47.1 t -122.34 117.02 50.81 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 C-N-CA 124.836 1.254 . . . . 64.72 109.41 -174.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' CYS . . . . . 0.598 ' SG ' ' N ' ' A' ' 131' ' ' THR . 5.2 t -88.8 155.1 19.76 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 121.585 0.707 . . . . 68.71 110.715 163.25 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' THR . . . . . 0.598 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 92.0 m -140.91 140.59 34.52 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 108.134 -1.061 . . . . 53.91 108.134 -178.822 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -134.04 143.41 48.06 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.055 -0.72 . . . . 62.59 109.055 172.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 46.0 t -122.02 135.45 62.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 N-CA-C 108.062 -1.088 . . . . 46.36 108.062 -177.065 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -127.81 155.82 43.48 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.624 -0.716 . . . . 50.29 109.429 -178.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 33.7 m -122.44 161.08 23.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 N-CA-C 107.137 -1.431 . . . . 48.74 107.137 169.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' ARG . . . . . 0.604 ' NH2' ' O ' ' A' ' 2' ' ' ASN . 92.5 mtt-85 -66.49 137.41 56.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.424 -0.807 . . . . 60.42 110.199 178.284 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' GLU . . . . . 0.729 ' CG ' ' OE2' ' A' ' 137' ' ' GLU . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.009 -0.541 . . . . 75.88 110.824 -175.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' RET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' HOH . . . . . 0.606 ' O ' ' NZ ' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' HOH . . . . . 0.501 ' O ' ' NZ ' ' A' ' 106' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 306' ' ' HOH . . . . . 0.478 ' O ' ' NZ ' ' A' ' 111' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 307' ' ' HOH . . . . . 0.473 ' O ' ' N ' ' A' ' 136' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo . . . . . 0 CA--C 1.546 1.115 0 CA-C-O 121.778 0.658 . . . . 85.95 113.359 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ASN . . . . . 0.505 ' O ' ' NH2' ' A' ' 136' ' ' ARG . 70.4 m-20 -84.8 40.2 0.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 84.5 111.871 174.415 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' PHE . . . . . 0.522 ' HB2' ' OE1' ' A' ' 45' ' ' GLN . 13.1 m-85 -63.63 -29.44 70.69 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 119.176 0.898 . . . . 53.64 111.22 175.423 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.7 m -55.47 141.25 37.46 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 120.955 0.407 . . . . 53.58 110.915 -178.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 145.52 -174.78 25.39 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 119.605 -1.284 . . . . 59.93 112.095 177.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -113.32 119.84 39.07 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 114.146 -1.027 . . . . 68.49 108.621 -178.527 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 87.8 m95 -115.63 133.92 55.55 Favored 'General case' 0 C--O 1.236 0.371 0 O-C-N 123.424 0.452 . . . . 49.05 111.121 -170.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . 0.592 ' NZ ' ' O ' ' A' ' 303' ' ' HOH . 35.0 pttt -118.83 139.36 51.73 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 115.906 -0.588 . . . . 64.23 109.982 175.141 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ILE . . . . . 0.4 HD11 ' HB2' ' A' ' 12' ' ' SER . 9.5 tt -78.08 142.7 13.78 Favored 'Isoleucine or valine' 0 C--O 1.241 0.626 0 CA-C-N 115.095 -0.957 . . . . 53.24 110.176 -170.135 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.0 pt -123.44 -15.73 5.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 N-CA-C 113.06 0.763 . . . . 62.68 113.06 175.619 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.9 ttm-85 -151.78 131.68 13.33 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.295 -1.002 . . . . 65.51 108.295 -177.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' SER . . . . . 0.4 ' HB2' HD11 ' A' ' 9' ' ' ILE . 6.8 t -143.11 128.35 18.74 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.455 -1.313 . . . . 58.8 107.455 172.91 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -156.64 162.62 39.84 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 118.629 -1.228 . . . . 66.15 111.122 -166.338 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 t30 60.2 22.05 11.4 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 114.362 -1.29 . . . . 76.35 110.982 -174.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' PHE . . . . . 0.451 ' HD2' ' HG ' ' A' ' 130' ' ' CYS . 4.4 t80 -76.56 -43.82 37.29 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 119.211 -0.996 . . . . 72.2 111.822 -171.114 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -64.81 -35.63 81.72 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-N 116.125 -0.489 . . . . 61.79 111.387 -176.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -72.39 -28.5 63.04 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 119.356 -0.938 . . . . 84.14 111.409 -179.826 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 tt -65.37 -44.59 87.13 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 118.148 -1.421 . . . . 62.8 110.712 170.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.9 mt -62.76 -32.37 73.5 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 112.174 0.435 . . . . 63.59 112.174 179.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -61.38 -40.45 94.37 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.387 -0.525 . . . . 70.9 111.008 179.396 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 49.5 t -50.89 -28.58 6.46 Favored 'Isoleucine or valine' 0 C--O 1.238 0.447 0 N-CA-C 112.351 0.501 . . . . 79.78 112.351 -179.17 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LEU . . . . . 0.405 HD22 ' HB3' ' A' ' 77' ' ' ASP . 2.7 mp -98.96 -16.17 18.85 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 114.231 1.197 . . . . 88.26 114.231 -176.867 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 103.95 12.4 29.93 Favored Glycine 0 N--CA 1.439 -1.109 0 CA-C-O 118.836 -0.98 . . . . 73.79 114.681 -177.557 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.4 t -60.22 122.94 11.79 Favored 'Isoleucine or valine' 0 C--O 1.241 0.639 0 CA-C-N 118.276 1.038 . . . . 69.44 109.827 169.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ASN . . . . . 0.607 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 55.4 m-20 -41.25 154.42 0.04 OUTLIER 'General case' 0 CA--C 1.506 -0.744 0 C-N-CA 126.829 2.051 . . . . 85.48 114.592 166.819 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.0 p -63.65 -44.54 98.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 C-N-CA 119.735 -0.786 . . . . 66.85 110.82 179.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 64.5 mtp -63.46 -53.94 44.3 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 119.733 -0.787 . . . . 72.39 111.093 179.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LEU . . . . . 0.415 HD23 HD11 ' A' ' 31' ' ' ILE . 6.1 mt -58.42 -32.94 69.14 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 119.482 -0.887 . . . . 73.51 110.848 177.214 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ARG . . . . . 0.607 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 60.2 mtm-85 -60.6 -50.82 71.97 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 119.882 -0.727 . . . . 66.88 110.324 172.152 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -61.75 -47.17 86.4 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 119.758 -0.777 . . . . 49.43 110.905 -174.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ILE . . . . . 0.415 HD11 HD23 ' A' ' 28' ' ' LEU . 1.6 pt -67.16 -29.62 46.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 C-N-CA 118.661 -1.215 . . . . 66.47 110.143 178.766 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.28 -41.73 89.44 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 119.783 -0.767 . . . . 52.72 110.908 174.219 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.5 t -58.33 -49.56 81.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 120.907 0.384 . . . . 52.94 110.368 176.791 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.59 -45.29 94.51 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 119.604 -0.838 . . . . 49.6 110.768 179.216 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.23 -51.4 69.71 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 119.482 -0.887 . . . . 53.13 110.817 178.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.79 -22.82 15.5 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 113.028 0.751 . . . . 63.78 113.028 178.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 p -81.96 -9.99 59.4 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 112.848 0.684 . . . . 55.3 112.848 -176.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.4 mmtm -106.05 15.74 26.01 Favored 'General case' 0 C--O 1.243 0.732 0 N-CA-C 112.682 0.623 . . . . 80.62 112.682 176.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -64.59 140.5 58.87 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.117 0.484 . . . . 62.62 111.39 -175.393 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.76 149.86 43.54 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 123.849 0.86 . . . . 51.67 109.547 168.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' VAL . . . . . 0.53 HG22 HG12 ' A' ' 54' ' ' VAL . 75.5 t -129.49 132.79 66.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 108.978 -0.749 . . . . 48.65 108.978 -174.857 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -121.96 121.87 38.07 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.977 -1.12 . . . . 66.1 107.977 173.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ILE . . . . . 0.428 HG21 ' HB3' ' A' ' 3' ' ' PHE . 96.3 mt -118.67 132.08 69.59 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 N-CA-C 109.127 -0.694 . . . . 49.87 109.127 -176.101 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 48.3 tttt -122.71 113.27 18.98 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 107.141 -1.429 . . . . 79.1 107.141 166.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLN . . . . . 0.522 ' OE1' ' HB2' ' A' ' 3' ' ' PHE . 50.7 tt0 -113.32 132.54 55.53 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 123.304 0.642 . . . . 54.44 110.024 -177.953 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -135.28 95.81 3.36 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 106.49 -1.67 . . . . 61.67 106.49 178.087 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.72 -118.83 12.2 Favored Glycine 0 CA--C 1.523 0.565 0 C-N-CA 119.734 -1.222 . . . . 48.3 110.271 -173.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.0 p-10 -97.22 10.54 39.19 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 112.397 0.517 . . . . 49.59 112.397 178.417 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 88.5 m -110.92 128.78 55.93 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 123.721 0.809 . . . . 54.14 109.713 -179.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' PHE . . . . . 0.553 ' HB3' HD11 ' A' ' 52' ' ' ILE . 57.3 m-85 -127.24 130.92 50.53 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.419 -0.355 . . . . 48.75 111.246 -169.459 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -112.31 123.87 51.23 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 108.621 -0.881 . . . . 54.98 108.621 163.056 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ILE . . . . . 0.553 HD11 ' HB3' ' A' ' 50' ' ' PHE . 4.2 mp -128.02 118.29 48.16 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 N-CA-C 107.82 -1.178 . . . . 66.76 107.82 -178.194 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -108.01 119.82 40.55 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 107.871 -1.159 . . . . 72.67 107.871 169.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' VAL . . . . . 0.53 HG12 HG22 ' A' ' 41' ' ' VAL . 19.2 m -116.32 132.54 65.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 N-CA-C 106.83 -1.544 . . . . 47.81 106.83 175.099 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 52.9 p -138.09 145.44 41.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.213 -0.449 . . . . 49.16 110.506 -171.881 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' THR . . . . . 0.405 HG22 ' H ' ' A' ' 57' ' ' THR . 0.2 OUTLIER -117.26 -160.81 0.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 126.002 1.721 . . . . 49.09 108.361 172.232 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 57' ' ' THR . . . . . 0.405 ' H ' HG22 ' A' ' 56' ' ' THR . 70.6 m -65.19 -42.51 93.52 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 119.936 -0.706 . . . . 52.1 111.639 -179.947 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.3 m -121.19 7.82 6.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 O-C-N 121.775 -0.578 . . . . 51.26 112.516 -173.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -144.49 140.87 29.17 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 118.437 0.562 . . . . 62.07 110.111 -176.356 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.6 t -141.27 144.77 34.85 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 108.903 -0.777 . . . . 49.33 108.903 175.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.2 t -144.08 143.95 31.38 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.599 -0.728 . . . . 58.96 110.009 -179.346 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -117.53 143.05 46.46 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 123.345 0.658 . . . . 57.69 110.304 -179.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 15.6 pt -129.16 149.64 33.87 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-O 121.601 0.715 . . . . 59.3 110.061 163.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -128.94 132.46 47.63 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 107.914 -1.143 . . . . 65.2 107.914 172.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -155.44 166.43 33.56 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 118.812 -1.155 . . . . 53.72 109.399 -178.601 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -122.3 137.34 54.88 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 106.956 -1.498 . . . . 73.12 106.956 173.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 87.3 t -57.26 132.98 21.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 C-N-CA 118.196 -1.402 . . . . 48.53 107.768 178.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.41 -4.98 84.27 Favored Glycine 0 N--CA 1.441 -0.984 0 N-CA-C 115.707 1.043 . . . . 49.91 115.707 179.5 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLU . . . . . 0.72 ' CG ' ' OE1' ' A' ' 69' ' ' GLU . . . -119.67 118.52 31.16 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 118.882 1.341 . . . . 65.37 109.314 -169.954 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.61 142.32 58.44 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 121.816 0.817 . . . . 71.8 111.447 -177.099 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -146.16 176.14 9.96 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 106.272 -1.751 . . . . 60.22 106.272 -176.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLU . . . . . 0.488 ' OE2' ' NZ ' ' A' ' 82' ' ' LYS . 15.9 tt0 -114.77 138.75 50.36 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.072 0.463 . . . . 70.04 111.659 -175.989 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -152.19 -166.19 2.42 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 107.865 -1.161 . . . . 66.22 107.865 177.425 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -121.9 139.22 53.91 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.294 -0.632 . . . . 69.78 109.294 -179.533 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 79' ' ' ARG . 3.8 p -63.64 175.28 1.12 Allowed 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.724 0.773 . . . . 70.7 109.736 167.646 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' VAL . . . . . 0.623 ' HA ' H182 ' A' ' 201' ' ' RET . 1.7 m -45.15 -56.41 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 CA-C-N 114.956 -1.02 . . . . 74.37 110.923 174.021 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ASP . . . . . 0.405 ' HB3' HD22 ' A' ' 22' ' ' LEU . 11.2 p-10 -91.26 46.87 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 122.985 1.374 . . . . 78.4 111.793 -178.443 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 62.73 10.11 29.66 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 117.898 1.919 . . . . 68.32 117.898 163.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ARG . . . . . 0.42 ' O ' HG23 ' A' ' 75' ' ' THR . 77.3 mtp180 -83.08 128.35 65.55 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 118.652 1.226 . . . . 72.68 109.699 179.2 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -67.42 138.63 46.84 Favored 'Trans proline' 0 C--O 1.234 0.288 0 CA-C-N 118.793 0.605 . . . . 79.78 111.917 -176.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 24.2 p -141.12 160.19 40.63 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.416 -0.811 . . . . 72.02 109.446 -177.378 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' LYS . . . . . 0.647 ' HG2' HD21 ' A' ' 100' ' ' LEU . 19.8 mmtt -97.29 139.67 32.91 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 108.058 -1.089 . . . . 78.06 108.058 166.057 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 83' ' ' SER . . . . . 0.441 ' OG ' ' HG2' ' A' ' 97' ' ' GLN . 9.6 m -129.08 152.66 48.43 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 123.151 0.58 . . . . 58.08 110.744 -171.662 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 36.9 tp -143.34 117.89 9.76 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 108.039 -1.096 . . . . 55.16 108.039 -177.672 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 47.1 t -98.85 135.5 33.6 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 N-CA-C 108.68 -0.859 . . . . 48.56 108.68 -178.864 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 65.5 mttt -132.76 154.35 50.32 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.215 0.531 . . . . 50.86 110.03 171.828 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -76.91 139.7 40.29 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.6 -0.727 . . . . 52.9 110.537 174.453 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -100.48 -26.35 13.89 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.575 -0.739 . . . . 68.52 112.656 170.344 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 87.8 p -167.02 -172.89 2.17 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 105.222 -2.14 . . . . 47.94 105.222 -169.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.79 -40.69 93.54 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 118.624 -1.23 . . . . 74.89 111.402 -176.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ASN . . . . . 0.406 ' O ' ' HA ' ' A' ' 112' ' ' GLU . 64.0 m-80 -128.53 25.6 5.72 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 113.131 0.789 . . . . 61.21 113.131 -168.841 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -135.08 129.44 33.99 Favored 'General case' 0 CA--C 1.517 -0.313 0 O-C-N 121.392 -0.818 . . . . 52.21 109.539 172.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 14.9 ptp -117.82 145.87 44.25 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.567 -0.531 . . . . 53.29 109.567 177.658 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' VAL . . . . . 0.575 HG12 HG22 ' A' ' 110' ' ' THR . 99.5 t -120.46 140.05 45.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 N-CA-C 108.615 -0.883 . . . . 55.72 108.615 179.32 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 52.0 t -120.84 119.07 31.62 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 110.273 -0.269 . . . . 58.09 110.273 -178.943 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -91.54 139.32 30.82 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 123.36 0.412 . . . . 82.64 110.037 172.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' GLN . . . . . 0.441 ' HG2' ' OG ' ' A' ' 83' ' ' SER . 79.8 mt-30 -123.08 145.18 48.78 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.147 0.499 . . . . 64.63 110.386 178.924 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -133.29 126.24 31.03 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 107.745 -1.205 . . . . 73.1 107.745 -179.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 25.4 mt -62.06 135.5 57.55 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.485 -0.486 . . . . 79.0 110.442 -179.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' LEU . . . . . 0.647 HD21 ' HG2' ' A' ' 82' ' ' LYS . 10.0 mt -78.15 -21.38 50.37 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 113.009 0.744 . . . . 83.76 113.009 178.666 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 101' ' ' LYS . . . . . 0.404 ' O ' ' NH1' ' A' ' 79' ' ' ARG . 3.1 mttt -143.37 122.8 13.13 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 108.046 -1.094 . . . . 89.36 108.046 178.351 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 88.85 -156.93 26.89 Favored Glycine 0 C--O 1.236 0.27 0 CA-C-O 122.858 1.255 . . . . 86.91 113.83 166.678 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -122.38 174.0 7.29 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 114.159 -1.021 . . . . 109.1 109.833 -179.755 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 161.33 -170.04 37.01 Favored Glycine 0 N--CA 1.441 -0.999 0 N-CA-C 109.397 -1.481 . . . . 91.65 109.397 -174.747 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -78.05 155.61 29.88 Favored 'Trans proline' 0 C--N 1.329 -0.459 0 CA-C-O 121.833 0.68 . . . . 81.66 111.522 -179.653 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' LYS . . . . . 0.501 ' NZ ' ' O ' ' A' ' 305' ' ' HOH . 3.9 tttm -82.23 117.04 22.05 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 114.883 -1.053 . . . . 86.76 108.284 177.609 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 46.7 p -117.11 153.61 32.47 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 121.11 0.481 . . . . 66.65 110.646 -173.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.3 p -163.4 156.12 18.42 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.481 -0.781 . . . . 64.86 108.897 -178.49 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 37.2 p-90 -135.11 162.52 32.26 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 119.536 -0.866 . . . . 55.56 109.936 175.382 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' THR . . . . . 0.575 HG22 HG12 ' A' ' 94' ' ' VAL . 13.9 p -134.28 156.76 47.86 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-O 121.795 0.807 . . . . 52.78 110.136 177.478 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 111' ' ' LYS . . . . . 0.478 ' NZ ' ' O ' ' A' ' 306' ' ' HOH . 27.9 mttp -140.5 138.89 34.94 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 108.04 -1.096 . . . . 63.37 108.04 172.88 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 112' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 91' ' ' ASN . 74.1 tt0 -148.04 143.42 27.21 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 119.536 -0.866 . . . . 60.19 109.833 -174.649 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.6 mt -107.37 113.22 26.44 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 106.992 -1.484 . . . . 58.18 106.992 172.86 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 63.2 p -82.19 162.61 22.34 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 121.535 0.683 . . . . 60.8 110.129 178.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -71.14 -12.51 61.53 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 112.759 0.651 . . . . 72.53 112.759 177.055 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -80.94 -2.44 47.68 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 112.753 0.649 . . . . 71.86 112.753 171.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 81.04 26.91 51.77 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 114.954 0.741 . . . . 64.7 114.954 -176.043 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -104.39 146.02 29.43 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 118.036 0.918 . . . . 57.52 110.258 174.481 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 25.6 tp -100.72 122.64 43.7 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 107.935 -1.135 . . . . 50.58 107.935 169.305 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 18.8 mt -111.29 123.65 67.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 108.429 -0.952 . . . . 55.55 108.429 178.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' TRP . . . . . 0.516 ' CH2' ' HB2' ' A' ' 123' ' ' MET . 90.5 t90 -113.98 129.87 56.57 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 107.829 -1.174 . . . . 66.18 107.829 175.36 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.2 p -122.88 154.63 38.06 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 109.095 -0.706 . . . . 52.83 109.095 171.689 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' MET . . . . . 0.516 ' HB2' ' CH2' ' A' ' 121' ' ' TRP . 3.1 ttt -140.56 134.81 31.11 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.786 -1.097 . . . . 103.12 108.054 177.879 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 28.6 m -123.6 138.66 54.51 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 123.375 0.422 . . . . 56.41 109.995 -170.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -132.83 111.72 11.33 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 107.226 -1.398 . . . . 68.37 107.226 168.614 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 52.86 -119.44 1.51 Allowed 'General case' 0 C--O 1.234 0.241 0 C-N-CA 122.83 0.452 . . . . 82.12 111.165 -175.215 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -79.2 -5.74 54.97 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 113.653 0.983 . . . . 67.81 113.653 -178.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 59.4 t -111.72 130.67 64.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-N 119.228 0.922 . . . . 62.9 109.912 -161.028 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 47.1 t -122.34 117.02 50.81 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 C-N-CA 124.836 1.254 . . . . 64.72 109.41 -174.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' CYS . . . . . 0.598 ' SG ' ' N ' ' A' ' 131' ' ' THR . 5.2 t -88.8 155.1 19.76 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 121.585 0.707 . . . . 68.71 110.715 163.25 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 131' ' ' THR . . . . . 0.598 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 92.0 m -140.91 140.59 34.52 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 108.134 -1.061 . . . . 53.91 108.134 -178.822 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -134.04 143.41 48.06 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.055 -0.72 . . . . 62.59 109.055 172.767 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 46.0 t -122.02 135.45 62.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 N-CA-C 108.062 -1.088 . . . . 46.36 108.062 -177.065 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -127.81 155.82 43.48 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.624 -0.716 . . . . 50.29 109.429 -178.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 33.7 m -122.44 161.08 23.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 N-CA-C 107.137 -1.431 . . . . 48.74 107.137 169.401 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 136' ' ' ARG . . . . . 0.505 ' NH2' ' O ' ' A' ' 2' ' ' ASN . 92.5 mtt-85 -66.49 137.41 56.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.424 -0.807 . . . . 60.42 110.199 178.284 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 137' ' ' GLU . . . . . 0.729 ' OE2' ' CG ' ' A' ' 137' ' ' GLU . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.009 -0.541 . . . . 75.88 110.824 -175.901 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' RET . . . . . 0.695 H181 ' H8 ' ' A' ' 201' ' ' RET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 303' ' ' HOH . . . . . 0.592 ' O ' ' NZ ' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 305' ' ' HOH . . . . . 0.501 ' O ' ' NZ ' ' A' ' 106' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 306' ' ' HOH . . . . . 0.478 ' O ' ' NZ ' ' A' ' 111' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo . . . . . 0 CA--C 1.546 1.115 0 CA-C-O 121.778 0.658 . . . . 85.95 113.359 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.505 ' O ' ' NH2' ' A' ' 136' ' ' ARG . 70.4 m-20 -84.8 40.2 0.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 84.5 111.871 174.415 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.522 ' HB2' ' OE1' ' A' ' 45' ' ' GLN . 13.1 m-85 -63.63 -29.44 70.69 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 119.176 0.898 . . . . 53.64 111.22 175.423 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.7 m -55.47 141.25 37.46 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 120.955 0.407 . . . . 53.58 110.915 -178.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 145.52 -174.78 25.39 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 119.605 -1.284 . . . . 59.93 112.095 177.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -113.32 119.84 39.07 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 114.146 -1.027 . . . . 68.49 108.621 -178.527 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 87.8 m95 -115.63 133.92 55.55 Favored 'General case' 0 C--O 1.236 0.371 0 O-C-N 123.424 0.452 . . . . 49.05 111.121 -170.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.592 ' NZ ' ' O ' ' A' ' 303' ' ' HOH . 35.0 pttt -118.83 139.36 51.73 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 115.906 -0.588 . . . . 64.23 109.982 175.141 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.4 HD11 ' HB2' ' A' ' 12' ' ' SER . 9.5 tt -78.08 142.7 13.78 Favored 'Isoleucine or valine' 0 C--O 1.241 0.626 0 CA-C-N 115.095 -0.957 . . . . 53.24 110.176 -170.135 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.0 pt -123.44 -15.73 5.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 N-CA-C 113.06 0.763 . . . . 62.68 113.06 175.619 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.9 ttm-85 -151.78 131.68 13.33 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.295 -1.002 . . . . 65.51 108.295 -177.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' SER . . . . . 0.4 ' HB2' HD11 ' A' ' 9' ' ' ILE . 6.8 t -143.11 128.35 18.74 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.455 -1.313 . . . . 58.8 107.455 172.91 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -156.64 162.62 39.84 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 118.629 -1.228 . . . . 66.15 111.122 -166.338 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 t30 60.2 22.05 11.4 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 114.362 -1.29 . . . . 76.35 110.982 -174.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.451 ' HD2' ' HG ' ' A' ' 130' ' ' CYS . 4.4 t80 -76.56 -43.82 37.29 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 119.211 -0.996 . . . . 72.2 111.822 -171.114 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -64.81 -35.63 81.72 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-N 116.125 -0.489 . . . . 61.79 111.387 -176.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -72.39 -28.5 63.04 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 119.356 -0.938 . . . . 84.14 111.409 -179.826 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 tt -65.37 -44.59 87.13 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 118.148 -1.421 . . . . 62.8 110.712 170.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.9 mt -62.76 -32.37 73.5 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 112.174 0.435 . . . . 63.59 112.174 179.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -61.38 -40.45 94.37 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.387 -0.525 . . . . 70.9 111.008 179.396 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 49.5 t -50.89 -28.58 6.46 Favored 'Isoleucine or valine' 0 C--O 1.238 0.447 0 N-CA-C 112.351 0.501 . . . . 79.78 112.351 -179.17 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.405 HD22 ' HB3' ' A' ' 77' ' ' ASP . 2.7 mp -98.96 -16.17 18.85 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 114.231 1.197 . . . . 88.26 114.231 -176.867 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 103.95 12.4 29.93 Favored Glycine 0 N--CA 1.439 -1.109 0 CA-C-O 118.836 -0.98 . . . . 73.79 114.681 -177.557 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.4 t -60.22 122.94 11.79 Favored 'Isoleucine or valine' 0 C--O 1.241 0.639 0 CA-C-N 118.276 1.038 . . . . 69.44 109.827 169.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.607 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 55.4 m-20 -41.25 154.42 0.04 OUTLIER 'General case' 0 CA--C 1.506 -0.744 0 C-N-CA 126.829 2.051 . . . . 85.48 114.592 166.819 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.0 p -63.65 -44.54 98.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 C-N-CA 119.735 -0.786 . . . . 66.85 110.82 179.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 64.5 mtp -63.46 -53.94 44.3 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 119.733 -0.787 . . . . 72.39 111.093 179.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.415 HD23 HD11 ' A' ' 31' ' ' ILE . 6.1 mt -58.42 -32.94 69.14 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 119.482 -0.887 . . . . 73.51 110.848 177.214 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.607 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 60.2 mtm-85 -60.6 -50.82 71.97 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 119.882 -0.727 . . . . 66.88 110.324 172.152 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -61.75 -47.17 86.4 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 119.758 -0.777 . . . . 49.43 110.905 -174.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.415 HD11 HD23 ' A' ' 28' ' ' LEU . 1.6 pt -67.16 -29.62 46.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 C-N-CA 118.661 -1.215 . . . . 66.47 110.143 178.766 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.28 -41.73 89.44 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 119.783 -0.767 . . . . 52.72 110.908 174.219 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.5 t -58.33 -49.56 81.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 120.907 0.384 . . . . 52.94 110.368 176.791 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.59 -45.29 94.51 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 119.604 -0.838 . . . . 49.6 110.768 179.216 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.23 -51.4 69.71 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 119.482 -0.887 . . . . 53.13 110.817 178.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.79 -22.82 15.5 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 113.028 0.751 . . . . 63.78 113.028 178.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 p -81.96 -9.99 59.4 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 112.848 0.684 . . . . 55.3 112.848 -176.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.4 mmtm -106.05 15.74 26.01 Favored 'General case' 0 C--O 1.243 0.732 0 N-CA-C 112.682 0.623 . . . . 80.62 112.682 176.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -64.59 140.5 58.87 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.117 0.484 . . . . 62.62 111.39 -175.393 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.76 149.86 43.54 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 123.849 0.86 . . . . 51.67 109.547 168.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.53 HG22 HG12 ' A' ' 54' ' ' VAL . 75.5 t -129.49 132.79 66.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 108.978 -0.749 . . . . 48.65 108.978 -174.857 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -121.96 121.87 38.07 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.977 -1.12 . . . . 66.1 107.977 173.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.428 HG21 ' HB3' ' A' ' 3' ' ' PHE . 96.3 mt -118.67 132.08 69.59 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 N-CA-C 109.127 -0.694 . . . . 49.87 109.127 -176.101 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 48.3 tttt -122.71 113.27 18.98 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 107.141 -1.429 . . . . 79.1 107.141 166.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.522 ' OE1' ' HB2' ' A' ' 3' ' ' PHE . 50.7 tt0 -113.32 132.54 55.53 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 123.304 0.642 . . . . 54.44 110.024 -177.953 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -135.28 95.81 3.36 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 106.49 -1.67 . . . . 61.67 106.49 178.087 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.72 -118.83 12.2 Favored Glycine 0 CA--C 1.523 0.565 0 C-N-CA 119.734 -1.222 . . . . 48.3 110.271 -173.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.0 p-10 -97.22 10.54 39.19 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 112.397 0.517 . . . . 49.59 112.397 178.417 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 88.5 m -110.92 128.78 55.93 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 123.721 0.809 . . . . 54.14 109.713 -179.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.553 ' HB3' HD11 ' A' ' 52' ' ' ILE . 57.3 m-85 -127.24 130.92 50.53 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.419 -0.355 . . . . 48.75 111.246 -169.459 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -112.31 123.87 51.23 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 108.621 -0.881 . . . . 54.98 108.621 163.056 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.553 HD11 ' HB3' ' A' ' 50' ' ' PHE . 4.2 mp -128.02 118.29 48.16 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 N-CA-C 107.82 -1.178 . . . . 66.76 107.82 -178.194 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -108.01 119.82 40.55 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 107.871 -1.159 . . . . 72.67 107.871 169.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.53 HG12 HG22 ' A' ' 41' ' ' VAL . 19.2 m -116.32 132.54 65.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 N-CA-C 106.83 -1.544 . . . . 47.81 106.83 175.099 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 52.9 p -138.09 145.44 41.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.213 -0.449 . . . . 49.16 110.506 -171.881 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' THR . . . . . 0.405 HG22 ' H ' ' A' ' 57' ' ' THR . 0.2 OUTLIER -117.26 -160.81 0.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 126.002 1.721 . . . . 49.09 108.361 172.232 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' THR . . . . . 0.405 ' H ' HG22 ' A' ' 56' ' ' THR . 70.6 m -65.19 -42.51 93.52 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 119.936 -0.706 . . . . 52.1 111.639 -179.947 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.3 m -121.19 7.82 6.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 O-C-N 121.775 -0.578 . . . . 51.26 112.516 -173.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -144.49 140.87 29.17 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 118.437 0.562 . . . . 62.07 110.111 -176.356 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.6 t -141.27 144.77 34.85 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 108.903 -0.777 . . . . 49.33 108.903 175.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.2 t -144.08 143.95 31.38 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.599 -0.728 . . . . 58.96 110.009 -179.346 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -117.53 143.05 46.46 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 123.345 0.658 . . . . 57.69 110.304 -179.989 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 15.6 pt -129.16 149.64 33.87 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-O 121.601 0.715 . . . . 59.3 110.061 163.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -128.94 132.46 47.63 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 107.914 -1.143 . . . . 65.2 107.914 172.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -155.44 166.43 33.56 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 118.812 -1.155 . . . . 53.72 109.399 -178.601 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -122.3 137.34 54.88 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 106.956 -1.498 . . . . 73.12 106.956 173.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 87.3 t -57.26 132.98 21.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 C-N-CA 118.196 -1.402 . . . . 48.53 107.768 178.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.41 -4.98 84.27 Favored Glycine 0 N--CA 1.441 -0.984 0 N-CA-C 115.707 1.043 . . . . 49.91 115.707 179.5 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.72 ' CG ' ' OE1' ' A' ' 69' ' ' GLU . . . -119.67 118.52 31.16 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 118.882 1.341 . . . . 65.37 109.314 -169.954 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.61 142.32 58.44 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 121.816 0.817 . . . . 71.8 111.447 -177.099 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -146.16 176.14 9.96 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 106.272 -1.751 . . . . 60.22 106.272 -176.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.488 ' OE2' ' NZ ' ' A' ' 82' ' ' LYS . 15.9 tt0 -114.77 138.75 50.36 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.072 0.463 . . . . 70.04 111.659 -175.989 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -152.19 -166.19 2.42 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 107.865 -1.161 . . . . 66.22 107.865 177.425 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -121.9 139.22 53.91 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.294 -0.632 . . . . 69.78 109.294 -179.533 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 79' ' ' ARG . 3.8 p -63.64 175.28 1.12 Allowed 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.724 0.773 . . . . 70.7 109.736 167.646 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.623 ' HA ' H182 ' A' ' 201' ' ' RET . 1.7 m -45.15 -56.41 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 CA-C-N 114.956 -1.02 . . . . 74.37 110.923 174.021 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.405 ' HB3' HD22 ' A' ' 22' ' ' LEU . 11.2 p-10 -91.26 46.87 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 122.985 1.374 . . . . 78.4 111.793 -178.443 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 62.73 10.11 29.66 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 117.898 1.919 . . . . 68.32 117.898 163.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.42 ' O ' HG23 ' A' ' 75' ' ' THR . 77.3 mtp180 -83.08 128.35 65.55 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 118.652 1.226 . . . . 72.68 109.699 179.2 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -67.42 138.63 46.84 Favored 'Trans proline' 0 C--O 1.234 0.288 0 CA-C-N 118.793 0.605 . . . . 79.78 111.917 -176.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 24.2 p -141.12 160.19 40.63 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.416 -0.811 . . . . 72.02 109.446 -177.378 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.647 ' HG2' HD21 ' A' ' 100' ' ' LEU . 19.8 mmtt -97.29 139.67 32.91 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 108.058 -1.089 . . . . 78.06 108.058 166.057 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' SER . . . . . 0.441 ' OG ' ' HG2' ' A' ' 97' ' ' GLN . 9.6 m -129.08 152.66 48.43 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 123.151 0.58 . . . . 58.08 110.744 -171.662 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 36.9 tp -143.34 117.89 9.76 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 108.039 -1.096 . . . . 55.16 108.039 -177.672 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 47.1 t -98.85 135.5 33.6 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 N-CA-C 108.68 -0.859 . . . . 48.56 108.68 -178.864 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 65.5 mttt -132.76 154.35 50.32 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.215 0.531 . . . . 50.86 110.03 171.828 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -76.91 139.7 40.29 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.6 -0.727 . . . . 52.9 110.537 174.453 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -100.48 -26.35 13.89 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.575 -0.739 . . . . 68.52 112.656 170.344 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 87.8 p -167.02 -172.89 2.17 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 105.222 -2.14 . . . . 47.94 105.222 -169.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.79 -40.69 93.54 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 118.624 -1.23 . . . . 74.89 111.402 -176.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.406 ' O ' ' HA ' ' A' ' 112' ' ' GLU . 64.0 m-80 -128.53 25.6 5.72 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 113.131 0.789 . . . . 61.21 113.131 -168.841 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -135.08 129.44 33.99 Favored 'General case' 0 CA--C 1.517 -0.313 0 O-C-N 121.392 -0.818 . . . . 52.21 109.539 172.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 14.9 ptp -117.82 145.87 44.25 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.567 -0.531 . . . . 53.29 109.567 177.658 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.575 HG12 HG22 ' A' ' 110' ' ' THR . 99.5 t -120.46 140.05 45.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 N-CA-C 108.615 -0.883 . . . . 55.72 108.615 179.32 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 52.0 t -120.84 119.07 31.62 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 110.273 -0.269 . . . . 58.09 110.273 -178.943 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -91.54 139.32 30.82 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 123.36 0.412 . . . . 82.64 110.037 172.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.441 ' HG2' ' OG ' ' A' ' 83' ' ' SER . 79.8 mt-30 -123.08 145.18 48.78 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.147 0.499 . . . . 64.63 110.386 178.924 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -133.29 126.24 31.03 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 107.745 -1.205 . . . . 73.1 107.745 -179.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 25.4 mt -62.06 135.5 57.55 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.485 -0.486 . . . . 79.0 110.442 -179.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.647 HD21 ' HG2' ' A' ' 82' ' ' LYS . 10.0 mt -78.15 -21.38 50.37 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 113.009 0.744 . . . . 83.76 113.009 178.666 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.404 ' O ' ' NH1' ' A' ' 79' ' ' ARG . 3.1 mttt -143.37 122.8 13.13 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 108.046 -1.094 . . . . 89.36 108.046 178.351 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 88.85 -156.93 26.89 Favored Glycine 0 C--O 1.236 0.27 0 CA-C-O 122.858 1.255 . . . . 86.91 113.83 166.678 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -122.38 174.0 7.29 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 114.159 -1.021 . . . . 109.1 109.833 -179.755 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 161.33 -170.04 37.01 Favored Glycine 0 N--CA 1.441 -0.999 0 N-CA-C 109.397 -1.481 . . . . 91.65 109.397 -174.747 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -78.05 155.61 29.88 Favored 'Trans proline' 0 C--N 1.329 -0.459 0 CA-C-O 121.833 0.68 . . . . 81.66 111.522 -179.653 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.501 ' NZ ' ' O ' ' A' ' 305' ' ' HOH . 3.9 tttm -82.23 117.04 22.05 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 114.883 -1.053 . . . . 86.76 108.284 177.609 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 46.7 p -117.11 153.61 32.47 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 121.11 0.481 . . . . 66.65 110.646 -173.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.3 p -163.4 156.12 18.42 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.481 -0.781 . . . . 64.86 108.897 -178.49 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 37.2 p-90 -135.11 162.52 32.26 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 119.536 -0.866 . . . . 55.56 109.936 175.382 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' THR . . . . . 0.575 HG22 HG12 ' A' ' 94' ' ' VAL . 13.9 p -134.28 156.76 47.86 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-O 121.795 0.807 . . . . 52.78 110.136 177.478 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.478 ' NZ ' ' O ' ' A' ' 306' ' ' HOH . 27.9 mttp -140.5 138.89 34.94 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 108.04 -1.096 . . . . 63.37 108.04 172.88 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 91' ' ' ASN . 74.1 tt0 -148.04 143.42 27.21 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 119.536 -0.866 . . . . 60.19 109.833 -174.649 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.6 mt -107.37 113.22 26.44 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 106.992 -1.484 . . . . 58.18 106.992 172.86 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 63.2 p -82.19 162.61 22.34 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 121.535 0.683 . . . . 60.8 110.129 178.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -71.14 -12.51 61.53 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 112.759 0.651 . . . . 72.53 112.759 177.055 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -80.94 -2.44 47.68 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 112.753 0.649 . . . . 71.86 112.753 171.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 81.04 26.91 51.77 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 114.954 0.741 . . . . 64.7 114.954 -176.043 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -104.39 146.02 29.43 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 118.036 0.918 . . . . 57.52 110.258 174.481 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 25.6 tp -100.72 122.64 43.7 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 107.935 -1.135 . . . . 50.58 107.935 169.305 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 18.8 mt -111.29 123.65 67.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 108.429 -0.952 . . . . 55.55 108.429 178.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.516 ' CH2' ' HB2' ' A' ' 123' ' ' MET . 90.5 t90 -113.98 129.87 56.57 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 107.829 -1.174 . . . . 66.18 107.829 175.36 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.2 p -122.88 154.63 38.06 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 109.095 -0.706 . . . . 52.83 109.095 171.689 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' MET . . . . . 0.516 ' HB2' ' CH2' ' A' ' 121' ' ' TRP . 3.1 ttt -140.56 134.81 31.11 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.786 -1.097 . . . . 103.12 108.054 177.879 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 28.6 m -123.6 138.66 54.51 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 123.375 0.422 . . . . 56.41 109.995 -170.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -132.83 111.72 11.33 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 107.226 -1.398 . . . . 68.37 107.226 168.614 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 52.86 -119.44 1.51 Allowed 'General case' 0 C--O 1.234 0.241 0 C-N-CA 122.83 0.452 . . . . 82.12 111.165 -175.215 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -79.2 -5.74 54.97 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 113.653 0.983 . . . . 67.81 113.653 -178.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 59.4 t -111.72 130.67 64.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-N 119.228 0.922 . . . . 62.9 109.912 -161.028 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 47.1 t -122.34 117.02 50.81 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 C-N-CA 124.836 1.254 . . . . 64.72 109.41 -174.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.598 ' SG ' ' N ' ' A' ' 131' ' ' THR . 5.2 t -88.8 155.1 19.76 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 121.585 0.707 . . . . 68.71 110.715 163.25 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' THR . . . . . 0.598 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 92.0 m -140.91 140.59 34.52 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 108.134 -1.061 . . . . 53.91 108.134 -178.822 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -134.04 143.41 48.06 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.055 -0.72 . . . . 62.59 109.055 172.767 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 46.0 t -122.02 135.45 62.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 N-CA-C 108.062 -1.088 . . . . 46.36 108.062 -177.065 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -127.81 155.82 43.48 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.624 -0.716 . . . . 50.29 109.429 -178.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 33.7 m -122.44 161.08 23.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 N-CA-C 107.137 -1.431 . . . . 48.74 107.137 169.401 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.505 ' NH2' ' O ' ' A' ' 2' ' ' ASN . 92.5 mtt-85 -66.49 137.41 56.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.424 -0.807 . . . . 60.42 110.199 178.284 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.729 ' OE2' ' CG ' ' A' ' 137' ' ' GLU . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.009 -0.541 . . . . 75.88 110.824 -175.901 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' RET . . . . . 0.695 H181 ' H8 ' ' A' ' 201' ' ' RET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' HOH . . . . . 0.592 ' O ' ' NZ ' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 305' ' ' HOH . . . . . 0.501 ' O ' ' NZ ' ' A' ' 106' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 306' ' ' HOH . . . . . 0.478 ' O ' ' NZ ' ' A' ' 111' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_