data_6szz_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 6szz _Structure_validation_residue.Date_analyzed 2020-02-21 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' ' ' MET . . . . . . . . . . . . . 83.3 mmm . . . . . 0 N--CA 1.469 0.525 0 CA-C-O 120.711 0.291 . . . . 79.89 111.56 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 23.2 mt -99.72 157.05 16.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.446 0.641 . . . . 65.66 109.314 172.112 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -119.63 140.47 50.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.713 -0.676 . . . . 124.09 110.356 176.027 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.7 -178.15 27.04 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-O 121.977 0.765 . . . . 73.14 112.337 -177.15 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.8 ttpt -126.85 132.87 50.87 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.516 -1.29 . . . . 89.8 107.516 178.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 44' ' ' GLY . 70.2 t -62.79 116.73 3.0 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 N-CA-C 109.149 -0.686 . . . . 66.56 109.149 176.37 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -76.62 -48.47 19.01 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.748 -0.834 . . . . 91.76 108.748 -174.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' 4FW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -149.91 140.6 22.63 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 114.844 -1.071 . . . . 90.29 109.413 175.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 14' ' ' GLY . 39.9 t-20 -101.97 103.38 14.02 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 107.047 -1.464 . . . . 90.16 107.047 176.249 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.3 t -62.77 -41.97 99.47 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.305 -0.558 . . . . 98.8 111.325 -174.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -62.14 -45.97 91.08 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 119.833 -0.747 . . . . 113.97 110.552 -179.379 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -85.95 -23.85 26.76 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 112.531 0.567 . . . . 124.34 112.531 -175.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 10' ' ' ASN . . . 83.56 34.0 20.69 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 119.629 -1.272 . . . . 71.91 115.305 172.421 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -154.0 166.86 31.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 118.149 0.975 . . . . 79.94 108.64 174.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -179.45 -154.3 13.0 Favored Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 115.291 -0.868 . . . . 62.22 111.048 179.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -138.25 141.09 39.92 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 117.51 0.655 . . . . 69.6 110.85 -176.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 65.4 mt -99.43 128.32 51.29 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 CA-C-N 114.646 -1.161 . . . . 74.1 108.016 173.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -89.13 135.98 33.27 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 108.39 -0.967 . . . . 119.91 108.39 175.665 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.8 t -134.23 123.83 44.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 108.123 -1.066 . . . . 97.27 108.123 169.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . . . -60.59 127.74 33.19 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 108.765 -0.828 . . . . 102.8 108.765 175.472 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.5 -63.81 0.29 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.493 -0.861 . . . . 124.88 113.832 -179.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -83.95 169.64 14.82 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 122.08 0.943 . . . . 111.24 110.664 177.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -64.06 167.21 6.65 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.447 -0.797 . . . . 97.77 109.738 171.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -71.03 157.5 38.1 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 119.357 -0.937 . . . . 79.14 109.674 173.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.5 t -120.49 117.62 53.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 N-CA-C 109.089 -0.708 . . . . 59.31 109.089 -174.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -54.15 133.76 44.23 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.535 0.683 . . . . 62.1 110.926 170.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.5 p -129.4 128.48 66.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 108.896 -0.779 . . . . 53.03 108.896 175.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -103.11 156.08 17.95 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.143 -1.058 . . . . 57.66 108.143 174.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -65.96 -24.96 66.9 Favored 'General case' 0 CA--C 1.522 -0.124 0 C-N-CA 118.647 -1.221 . . . . 60.3 112.028 -171.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 95.3 p -64.01 -17.61 63.49 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 112.938 0.718 . . . . 52.05 112.938 178.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.53 -9.59 59.66 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 112.834 0.679 . . . . 50.89 112.834 177.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 70.4 mt -81.83 131.16 34.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 118.669 0.668 . . . . 53.42 110.003 -169.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -96.57 162.44 13.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.591 0.71 . . . . 67.25 110.731 -174.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.64 -169.3 24.48 Favored Glycine 0 N--CA 1.439 -1.111 0 CA-C-O 122.704 1.169 . . . . 72.18 112.019 172.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -89.88 174.68 7.55 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 113.987 -1.106 . . . . 131.38 110.946 -175.293 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.86 -179.71 46.79 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-O 123.064 1.369 . . . . 66.95 113.576 174.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -66.71 128.51 36.53 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 114.14 -1.03 . . . . 69.08 110.151 -178.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp -75.36 101.39 4.73 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.266 -0.642 . . . . 70.4 109.266 -174.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.6 t -157.32 167.46 30.23 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.786 -0.82 . . . . 84.84 108.786 176.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 80.3 mt -141.33 155.17 45.98 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.287 -0.869 . . . . 67.99 108.828 -175.054 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -116.53 145.62 43.2 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.279 -0.873 . . . . 132.23 110.34 178.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -52.49 134.44 34.93 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.195 -0.457 . . . . 112.26 110.422 177.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 6' ' ' VAL . . . 85.17 -1.47 88.67 Favored Glycine 0 N--CA 1.449 -0.487 0 CA-C-O 119.131 -0.816 . . . . 90.71 115.08 178.02 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -67.23 133.08 49.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 118.333 1.066 . . . . 88.56 111.164 179.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.64 128.68 36.58 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.345 -0.389 . . . . 72.05 110.087 172.322 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.4 m -135.47 149.68 28.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-O 121.719 0.771 . . . . 71.5 109.817 179.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.1 p -111.51 145.53 38.9 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 107.622 -1.251 . . . . 73.23 107.622 165.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 21.6 p90 -166.08 174.17 9.61 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 118.693 -1.203 . . . . 61.13 109.88 -171.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -122.25 158.82 28.63 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 114.384 -1.28 . . . . 67.93 108.395 171.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 59.5 mt -105.12 129.34 57.99 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 N-CA-C 107.568 -1.271 . . . . 55.24 107.568 172.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 10.8 p -121.11 134.51 64.26 Favored 'Isoleucine or valine' 0 C--O 1.243 0.731 0 N-CA-C 108.412 -0.958 . . . . 61.95 108.412 177.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -126.74 116.01 20.27 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 109.097 -0.705 . . . . 73.4 109.097 -176.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -111.68 -149.29 11.26 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 110.389 -1.084 . . . . 55.46 110.389 165.221 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 50.9 p30 -75.27 -0.8 20.82 Favored 'General case' 0 CA--C 1.52 -0.182 0 C-N-CA 117.976 -1.49 . . . . 77.28 113.243 -173.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.9 ttt180 -105.12 10.7 33.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 119.673 1.124 . . . . 77.34 112.365 174.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.31 -178.92 44.83 Favored Glycine 0 N--CA 1.442 -0.918 0 CA-C-O 121.712 0.618 . . . . 59.51 112.5 179.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -77.04 144.64 24.0 Favored 'Trans proline' 0 C--O 1.237 0.437 0 C-N-CA 120.775 0.983 . . . . 59.11 112.959 -175.078 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLN . . . . . 0.491 ' NE2' ' O ' ' A' ' 201' ' ' HOH . 10.5 pt20 -153.19 168.74 24.96 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 114.879 -1.055 . . . . 54.82 108.187 169.888 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.78 150.34 41.15 Favored 'General case' 0 CA--C 1.514 -0.434 0 C-N-CA 119.498 -0.881 . . . . 46.09 110.737 -174.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -145.2 158.48 43.81 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 108.089 -1.078 . . . . 43.16 108.089 171.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.6 m120 56.42 47.15 19.48 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.509 0.671 . . . . 105.19 111.769 176.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 72.2 t -82.95 118.48 30.71 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.405 0 N-CA-C 108.667 -0.864 . . . . 53.93 108.667 -173.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.7 m -115.85 129.81 56.58 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.992 -0.373 . . . . 62.1 109.992 174.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -71.57 141.36 50.05 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 109.765 -0.457 . . . . 79.4 109.765 172.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -127.46 159.37 34.72 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.888 -0.782 . . . . 111.8 108.888 -176.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 115.205 -0.907 . . . . 140.42 109.165 169.746 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . 0.491 ' O ' ' NE2' ' A' ' 59' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.3 mmm . . . . . 0 N--CA 1.469 0.525 0 CA-C-O 120.711 0.291 . . . . 79.89 111.56 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 23.2 mt -99.72 157.05 16.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.446 0.641 . . . . 65.66 109.314 172.112 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -119.63 140.47 50.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.713 -0.676 . . . . 124.09 110.356 176.027 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.7 -178.15 27.04 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-O 121.977 0.765 . . . . 73.14 112.337 -177.15 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.8 ttpt -126.85 132.87 50.87 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.516 -1.29 . . . . 89.8 107.516 178.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 70.2 t -62.79 116.73 3.0 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 N-CA-C 109.149 -0.686 . . . . 66.56 109.149 176.37 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -76.62 -48.47 19.01 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.748 -0.834 . . . . 91.76 108.748 -174.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' 4FW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -149.91 140.6 22.63 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 114.844 -1.071 . . . . 90.29 109.413 175.45 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -101.97 103.38 14.02 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 107.047 -1.464 . . . . 90.16 107.047 176.249 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.3 t -62.77 -41.97 99.47 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.305 -0.558 . . . . 98.8 111.325 -174.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -62.14 -45.97 91.08 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 119.833 -0.747 . . . . 113.97 110.552 -179.379 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -85.95 -23.85 26.76 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 112.531 0.567 . . . . 124.34 112.531 -175.4 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.56 34.0 20.69 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 119.629 -1.272 . . . . 71.91 115.305 172.421 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -154.0 166.86 31.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 118.149 0.975 . . . . 79.94 108.64 174.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -179.45 -154.3 13.0 Favored Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 115.291 -0.868 . . . . 62.22 111.048 179.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -138.25 141.09 39.92 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 117.51 0.655 . . . . 69.6 110.85 -176.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 65.4 mt -99.43 128.32 51.29 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 CA-C-N 114.646 -1.161 . . . . 74.1 108.016 173.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -89.13 135.98 33.27 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 108.39 -0.967 . . . . 119.91 108.39 175.665 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.8 t -134.23 123.83 44.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 108.123 -1.066 . . . . 97.27 108.123 169.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . . . -60.59 127.74 33.19 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 108.765 -0.828 . . . . 102.8 108.765 175.472 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.5 -63.81 0.29 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.493 -0.861 . . . . 124.88 113.832 -179.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -83.95 169.64 14.82 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 122.08 0.943 . . . . 111.24 110.664 177.416 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -64.06 167.21 6.65 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.447 -0.797 . . . . 97.77 109.738 171.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -71.03 157.5 38.1 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 119.357 -0.937 . . . . 79.14 109.674 173.485 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.5 t -120.49 117.62 53.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 N-CA-C 109.089 -0.708 . . . . 59.31 109.089 -174.727 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -54.15 133.76 44.23 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.535 0.683 . . . . 62.1 110.926 170.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.5 p -129.4 128.48 66.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 108.896 -0.779 . . . . 53.03 108.896 175.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -103.11 156.08 17.95 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.143 -1.058 . . . . 57.66 108.143 174.482 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -65.96 -24.96 66.9 Favored 'General case' 0 CA--C 1.522 -0.124 0 C-N-CA 118.647 -1.221 . . . . 60.3 112.028 -171.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 95.3 p -64.01 -17.61 63.49 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 112.938 0.718 . . . . 52.05 112.938 178.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.53 -9.59 59.66 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 112.834 0.679 . . . . 50.89 112.834 177.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 70.4 mt -81.83 131.16 34.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 118.669 0.668 . . . . 53.42 110.003 -169.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -96.57 162.44 13.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.591 0.71 . . . . 67.25 110.731 -174.245 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.64 -169.3 24.48 Favored Glycine 0 N--CA 1.439 -1.111 0 CA-C-O 122.704 1.169 . . . . 72.18 112.019 172.735 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -89.88 174.68 7.55 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 113.987 -1.106 . . . . 131.38 110.946 -175.293 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.86 -179.71 46.79 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-O 123.064 1.369 . . . . 66.95 113.576 174.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -66.71 128.51 36.53 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 114.14 -1.03 . . . . 69.08 110.151 -178.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LYS . . . . . 0.433 ' HE3' ' O ' ' A' ' 206' ' ' HOH . 6.5 mmtp -75.36 101.39 4.73 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.266 -0.642 . . . . 70.4 109.266 -174.242 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.6 t -157.32 167.46 30.23 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.786 -0.82 . . . . 84.84 108.786 176.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 80.3 mt -141.33 155.17 45.98 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.287 -0.869 . . . . 67.99 108.828 -175.054 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -116.53 145.62 43.2 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.279 -0.873 . . . . 132.23 110.34 178.161 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -52.49 134.44 34.93 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.195 -0.457 . . . . 112.26 110.422 177.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 85.17 -1.47 88.67 Favored Glycine 0 N--CA 1.449 -0.487 0 CA-C-O 119.131 -0.816 . . . . 90.71 115.08 178.02 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -67.23 133.08 49.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 118.333 1.066 . . . . 88.56 111.164 179.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.64 128.68 36.58 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.345 -0.389 . . . . 72.05 110.087 172.322 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.4 m -135.47 149.68 28.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-O 121.719 0.771 . . . . 71.5 109.817 179.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.1 p -111.51 145.53 38.9 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 107.622 -1.251 . . . . 73.23 107.622 165.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 21.6 p90 -166.08 174.17 9.61 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 118.693 -1.203 . . . . 61.13 109.88 -171.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -122.25 158.82 28.63 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 114.384 -1.28 . . . . 67.93 108.395 171.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 59.5 mt -105.12 129.34 57.99 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 N-CA-C 107.568 -1.271 . . . . 55.24 107.568 172.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 10.8 p -121.11 134.51 64.26 Favored 'Isoleucine or valine' 0 C--O 1.243 0.731 0 N-CA-C 108.412 -0.958 . . . . 61.95 108.412 177.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -126.74 116.01 20.27 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 109.097 -0.705 . . . . 73.4 109.097 -176.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -111.68 -149.29 11.26 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 110.389 -1.084 . . . . 55.46 110.389 165.221 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 50.9 p30 -75.27 -0.8 20.82 Favored 'General case' 0 CA--C 1.52 -0.182 0 C-N-CA 117.976 -1.49 . . . . 77.28 113.243 -173.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.9 ttt180 -105.12 10.7 33.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 119.673 1.124 . . . . 77.34 112.365 174.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.31 -178.92 44.83 Favored Glycine 0 N--CA 1.442 -0.918 0 CA-C-O 121.712 0.618 . . . . 59.51 112.5 179.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -77.04 144.64 24.0 Favored 'Trans proline' 0 C--O 1.237 0.437 0 C-N-CA 120.775 0.983 . . . . 59.11 112.959 -175.078 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -153.19 168.74 24.96 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 114.879 -1.055 . . . . 54.82 108.187 169.888 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.78 150.34 41.15 Favored 'General case' 0 CA--C 1.514 -0.434 0 C-N-CA 119.498 -0.881 . . . . 46.09 110.737 -174.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -145.2 158.48 43.81 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 108.089 -1.078 . . . . 43.16 108.089 171.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.6 m120 56.42 47.15 19.48 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.509 0.671 . . . . 105.19 111.769 176.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 72.2 t -82.95 118.48 30.71 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.405 0 N-CA-C 108.667 -0.864 . . . . 53.93 108.667 -173.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.7 m -115.85 129.81 56.58 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.992 -0.373 . . . . 62.1 109.992 174.015 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -71.57 141.36 50.05 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 109.765 -0.457 . . . . 79.4 109.765 172.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -127.46 159.37 34.72 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.888 -0.782 . . . . 111.8 108.888 -176.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 115.205 -0.907 . . . . 140.42 109.165 169.746 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . 0.433 ' O ' ' HE3' ' A' ' 39' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.3 mmm . . . . . 0 N--CA 1.469 0.525 0 CA-C-O 120.711 0.291 . . . . 79.890000000000001 111.56 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 23.2 mt -99.72 157.05 16.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.446 0.641 . . . . 65.659999999999997 109.314 172.112 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -119.63 140.47 50.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.713 -0.676 . . . . 124.09 110.356 176.027 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.7 -178.15 27.04 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-O 121.977 0.765 . . . . 73.140000000000001 112.337 -177.15 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.8 ttpt -126.85 132.87 50.87 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.516 -1.29 . . . . 89.799999999999997 107.516 178.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 70.2 t -62.79 116.73 3.0 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 N-CA-C 109.149 -0.686 . . . . 66.560000000000002 109.149 176.37 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -76.62 -48.47 19.01 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.748 -0.834 . . . . 91.760000000000005 108.748 -174.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' 4FW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -149.91 140.6 22.63 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 114.844 -1.071 . . . . 90.290000000000006 109.413 175.45 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -101.97 103.38 14.02 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 107.047 -1.464 . . . . 90.159999999999997 107.047 176.249 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.3 t -62.77 -41.97 99.47 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.305 -0.558 . . . . 98.799999999999997 111.325 -174.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -62.14 -45.97 91.08 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 119.833 -0.747 . . . . 113.97 110.552 -179.379 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -85.95 -23.85 26.76 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 112.531 0.567 . . . . 124.34 112.531 -175.4 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.56 34.0 20.69 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 119.629 -1.272 . . . . 71.909999999999997 115.305 172.421 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -154.0 166.86 31.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 118.149 0.975 . . . . 79.939999999999998 108.64 174.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -179.45 -154.3 13.0 Favored Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 115.291 -0.868 . . . . 62.219999999999999 111.048 179.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -138.25 141.09 39.92 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 117.51 0.655 . . . . 69.599999999999994 110.85 -176.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 65.4 mt -99.43 128.32 51.29 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 CA-C-N 114.646 -1.161 . . . . 74.099999999999994 108.016 173.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -89.13 135.98 33.27 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 108.39 -0.967 . . . . 119.91 108.39 175.665 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.8 t -134.23 123.83 44.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 108.123 -1.066 . . . . 97.269999999999996 108.123 169.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . . . -60.59 127.74 33.19 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 108.765 -0.828 . . . . 102.8 108.765 175.472 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.5 -63.81 0.29 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.493 -0.861 . . . . 124.88 113.832 -179.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -83.95 169.64 14.82 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 122.08 0.943 . . . . 111.23999999999999 110.664 177.416 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -64.06 167.21 6.65 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.447 -0.797 . . . . 97.769999999999996 109.738 171.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -71.03 157.5 38.1 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 119.357 -0.937 . . . . 79.140000000000001 109.674 173.485 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.5 t -120.49 117.62 53.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 N-CA-C 109.089 -0.708 . . . . 59.310000000000002 109.089 -174.727 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -54.15 133.76 44.23 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.535 0.683 . . . . 62.100000000000001 110.926 170.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.5 p -129.4 128.48 66.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 108.896 -0.779 . . . . 53.030000000000001 108.896 175.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -103.11 156.08 17.95 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.143 -1.058 . . . . 57.659999999999997 108.143 174.482 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -65.96 -24.96 66.9 Favored 'General case' 0 CA--C 1.522 -0.124 0 C-N-CA 118.647 -1.221 . . . . 60.299999999999997 112.028 -171.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 95.3 p -64.01 -17.61 63.49 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 112.938 0.718 . . . . 52.049999999999997 112.938 178.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.53 -9.59 59.66 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 112.834 0.679 . . . . 50.890000000000001 112.834 177.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 70.4 mt -81.83 131.16 34.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 118.669 0.668 . . . . 53.420000000000002 110.003 -169.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -96.57 162.44 13.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.591 0.71 . . . . 67.25 110.731 -174.245 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.64 -169.3 24.48 Favored Glycine 0 N--CA 1.439 -1.111 0 CA-C-O 122.704 1.169 . . . . 72.180000000000007 112.019 172.735 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -89.88 174.68 7.55 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 113.987 -1.106 . . . . 131.38 110.946 -175.293 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.86 -179.71 46.79 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-O 123.064 1.369 . . . . 66.950000000000003 113.576 174.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -66.71 128.51 36.53 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 114.14 -1.03 . . . . 69.079999999999998 110.151 -178.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.433 ' HE3' ' O ' ' A' ' 206' ' ' HOH . 6.5 mmtp -75.36 101.39 4.73 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.266 -0.642 . . . . 70.400000000000006 109.266 -174.242 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.6 t -157.32 167.46 30.23 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.786 -0.82 . . . . 84.840000000000003 108.786 176.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 80.3 mt -141.33 155.17 45.98 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.287 -0.869 . . . . 67.989999999999995 108.828 -175.054 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -116.53 145.62 43.2 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.279 -0.873 . . . . 132.22999999999999 110.34 178.161 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -52.49 134.44 34.93 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.195 -0.457 . . . . 112.26000000000001 110.422 177.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 85.17 -1.47 88.67 Favored Glycine 0 N--CA 1.449 -0.487 0 CA-C-O 119.131 -0.816 . . . . 90.709999999999994 115.08 178.02 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -67.23 133.08 49.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 118.333 1.066 . . . . 88.560000000000002 111.164 179.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.64 128.68 36.58 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.345 -0.389 . . . . 72.049999999999997 110.087 172.322 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.4 m -135.47 149.68 28.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-O 121.719 0.771 . . . . 71.5 109.817 179.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.1 p -111.51 145.53 38.9 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 107.622 -1.251 . . . . 73.230000000000004 107.622 165.35 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 21.6 p90 -166.08 174.17 9.61 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 118.693 -1.203 . . . . 61.130000000000003 109.88 -171.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -122.25 158.82 28.63 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 114.384 -1.28 . . . . 67.930000000000007 108.395 171.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 59.5 mt -105.12 129.34 57.99 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 N-CA-C 107.568 -1.271 . . . . 55.240000000000002 107.568 172.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 10.8 p -121.11 134.51 64.26 Favored 'Isoleucine or valine' 0 C--O 1.243 0.731 0 N-CA-C 108.412 -0.958 . . . . 61.950000000000003 108.412 177.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -126.74 116.01 20.27 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 109.097 -0.705 . . . . 73.400000000000006 109.097 -176.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -111.68 -149.29 11.26 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 110.389 -1.084 . . . . 55.460000000000001 110.389 165.221 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 50.9 p30 -75.27 -0.8 20.82 Favored 'General case' 0 CA--C 1.52 -0.182 0 C-N-CA 117.976 -1.49 . . . . 77.280000000000001 113.243 -173.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.9 ttt180 -105.12 10.7 33.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 119.673 1.124 . . . . 77.340000000000003 112.365 174.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.31 -178.92 44.83 Favored Glycine 0 N--CA 1.442 -0.918 0 CA-C-O 121.712 0.618 . . . . 59.509999999999998 112.5 179.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -77.04 144.64 24.0 Favored 'Trans proline' 0 C--O 1.237 0.437 0 C-N-CA 120.775 0.983 . . . . 59.109999999999999 112.959 -175.078 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -153.19 168.74 24.96 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 114.879 -1.055 . . . . 54.82 108.187 169.888 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.78 150.34 41.15 Favored 'General case' 0 CA--C 1.514 -0.434 0 C-N-CA 119.498 -0.881 . . . . 46.090000000000003 110.737 -174.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -145.2 158.48 43.81 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 108.089 -1.078 . . . . 43.159999999999997 108.089 171.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.6 m120 56.42 47.15 19.48 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.509 0.671 . . . . 105.19 111.769 176.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 72.2 t -82.95 118.48 30.71 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.405 0 N-CA-C 108.667 -0.864 . . . . 53.93 108.667 -173.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.7 m -115.85 129.81 56.58 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.992 -0.373 . . . . 62.100000000000001 109.992 174.015 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -71.57 141.36 50.05 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 109.765 -0.457 . . . . 79.400000000000006 109.765 172.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -127.46 159.37 34.72 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.888 -0.782 . . . . 111.8 108.888 -176.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 115.205 -0.907 . . . . 140.41999999999999 109.165 169.746 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . 0.433 ' O ' ' HE3' ' A' ' 39' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_