data_6m4c_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 6m4c _Structure_validation_residue.Date_analyzed 2020-08-21 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 ' 2' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.917 0 N-CA-C 108.032 -1.099 . . . . 158.55 108.032 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . . . -147.63 -168.51 3.08 Favored 'General case' 0 C--O 1.224 -0.26 0 N-CA-C 105.68 -1.971 . . . . 153.09 105.68 178.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . . . -94.81 49.52 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 118.071 -1.452 . . . . 137.78 108.968 159.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . . . -79.81 123.89 28.13 Favored 'General case' 0 C--N 1.347 0.484 0 N-CA-C 107.796 -1.187 . . . . 136.74 107.796 175.526 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -55.71 -82.87 0.01 OUTLIER 'General case' 0 C--N 1.352 0.696 0 C-N-CA 126.337 1.855 . . . . 149.63 109.091 -178.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 70.57 -30.11 0.2 Allowed 'General case' 0 C--N 1.351 0.642 0 O-C-N 125.294 1.621 . . . . 131.3 110.666 -179.079 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.78 -26.67 68.83 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 107.633 -1.247 . . . . 106.73 107.633 171.552 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -71.48 -31.59 67.3 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.267 0.556 . . . . 134.35 109.648 176.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.4 p -82.21 9.72 8.2 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.162 -0.472 . . . . 109.48 111.473 -174.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -103.28 145.82 31.31 Favored Pre-proline 0 N--CA 1.449 -0.477 0 C-N-CA 118.163 -1.415 . . . . 130.51 110.378 -165.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -56.44 125.26 18.48 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.38 2.053 . . . . 104.25 112.726 -175.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 74.9 t -99.39 131.98 45.68 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.53 0 C-N-CA 119.865 -0.734 . . . . 91.78 109.84 172.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -125.92 144.32 50.73 Favored 'General case' 0 CA--C 1.51 -0.579 0 N-CA-C 108.078 -1.082 . . . . 90.84 108.078 -177.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.4 mt -93.44 114.59 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 O-C-N 125.667 1.855 . . . . 92.53 108.691 157.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -82.08 135.38 35.33 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 106.535 -1.654 . . . . 92.77 106.535 172.635 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.2 t -162.95 -179.58 6.86 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 123.892 0.745 . . . . 92.16 110.875 -176.707 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.7 t -139.16 117.85 12.27 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 115.219 -0.9 . . . . 115.26 110.922 174.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mp -72.45 -6.74 45.77 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 123.584 0.553 . . . . 107.25 109.685 177.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -106.9 16.43 24.31 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 120.466 -0.494 . . . . 126.47 109.78 176.191 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -93.88 0.4 67.09 Favored Glycine 0 CA--C 1.526 0.744 0 CA-C-O 119.672 -0.516 . . . . 123.34 114.064 -167.52 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.46 164.45 31.92 Favored Glycine 0 C--N 1.34 0.783 0 N-CA-C 110.081 -1.208 . . . . 118.07 110.081 -178.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . . . -66.99 -37.54 84.39 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 109.301 -0.629 . . . . 116.44 109.301 -169.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -53.52 -45.45 69.77 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 115.723 -0.671 . . . . 126.45 110.284 179.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.9 t -68.09 -45.28 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 C-N-CA 122.954 0.502 . . . . 122.89 111.131 -176.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 pt -67.13 -32.54 58.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 120.587 -0.445 . . . . 120.31 109.81 175.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.8 tp -64.33 -47.74 78.25 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 119.277 -0.969 . . . . 117.18 109.41 177.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . . . -62.49 -27.27 69.02 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 125.237 1.415 . . . . 105.32 108.954 178.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.6 m -75.27 -32.18 60.98 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.055 -0.521 . . . . 105.79 110.274 179.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -67.87 -48.14 66.93 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 118.122 -1.431 . . . . 102.83 110.203 177.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -54.2 -44.06 71.29 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 125.824 1.65 . . . . 121.33 110.738 179.455 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.3 tp -66.15 -37.03 84.68 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.604 -0.725 . . . . 98.97 111.498 178.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.61 -37.83 77.04 Favored 'General case' 0 C--N 1.343 0.326 0 N-CA-C 109.181 -0.674 . . . . 89.05 109.181 -179.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.15 -45.27 93.64 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.842 -0.617 . . . . 85.28 109.46 -179.16 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 39.0 mt -60.92 -42.08 91.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 C-N-CA 119.963 -0.695 . . . . 86.07 109.746 176.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.3 mt -68.53 -37.93 80.42 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 118.299 -1.36 . . . . 86.28 108.629 -171.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -77.5 -42.1 36.91 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 125.191 1.557 . . . . 136.57 107.188 -171.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -49.93 -18.03 1.79 Allowed Glycine 0 CA--C 1.538 1.518 0 N-CA-C 116.788 1.475 . . . . 110.61 116.788 166.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -121.72 14.32 10.9 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 118.298 1.049 . . . . 93.72 109.368 -169.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.18 15.74 81.29 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.619 1.199 . . . . 79.64 114.168 176.239 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 74.5 mt -104.13 115.62 46.4 Favored 'Isoleucine or valine' 0 C--N 1.344 0.358 0 N-CA-C 107.115 -1.439 . . . . 94.51 107.115 -167.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -74.94 154.01 38.33 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 107.912 -1.144 . . . . 83.5 107.912 177.36 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -160.98 152.38 19.15 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 113.675 0.991 . . . . 103.15 113.675 -178.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -115.91 145.19 43.11 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 107.875 -1.157 . . . . 124.6 107.875 170.455 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -78.13 150.29 33.67 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 123.916 0.886 . . . . 93.89 110.998 172.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.0 mmt85 -130.88 129.58 42.46 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 106.558 -1.645 . . . . 158.0 106.558 172.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASP . . . . . 0.674 ' N ' ' O ' ' A' ' 101' ' ' HOH . 17.7 t0 -96.14 134.7 38.89 Favored 'General case' 0 C--N 1.346 0.434 0 O-C-N 124.599 1.187 . . . . 125.14 108.715 -179.762 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.3 mp -92.55 7.47 43.13 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 109.587 -0.523 . . . . 158.11 109.587 -177.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -92.33 -16.5 49.76 Favored Glycine 0 CA--C 1.527 0.806 0 CA-C-N 115.156 -0.929 . . . . 130.52 111.128 177.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 72.4 p -147.54 0.47 0.68 Allowed 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.133 0.573 . . . . 125.74 109.527 -164.071 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -124.13 85.63 2.44 Favored 'General case' 0 C--O 1.223 -0.338 0 C-N-CA 120.466 -0.493 . . . . 128.65 110.043 177.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . . . -50.35 -50.16 51.98 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 108.885 -0.783 . . . . 115.69 108.885 176.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . . . -46.0 -39.96 9.82 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-O 118.642 -0.694 . . . . 135.41 111.772 178.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -83.02 -41.49 18.62 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 124.371 1.068 . . . . 128.81 112.853 -171.174 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -48.5 -34.54 11.43 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 124.538 1.135 . . . . 157.15 109.342 172.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . . . -92.23 4.03 54.12 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 125.604 1.561 . . . . 138.54 111.154 -172.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.1 mp -101.43 -42.79 9.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 N-CA-C 106.1 -1.815 . . . . 118.97 106.1 165.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 48.4 t-105 -61.16 -35.49 77.25 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 116.567 -2.053 . . . . 122.77 109.068 -179.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . . . -54.18 -73.13 0.05 Allowed 'General case' 0 C--N 1.35 0.63 0 O-C-N 125.364 1.665 . . . . 120.29 110.255 176.52 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . . . -40.13 -67.58 0.22 Allowed 'General case' 0 CA--C 1.541 0.63 0 O-C-N 123.852 0.72 . . . . 108.43 111.227 172.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -92.44 -22.06 19.83 Favored 'General case' 0 C--N 1.349 0.552 0 N-CA-C 116.155 1.909 . . . . 114.16 116.155 -153.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -82.96 -4.21 57.99 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 116.798 -1.961 . . . . 112.67 112.3 -165.112 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 43.67 55.3 5.1 Favored 'General case' 0 C--N 1.345 0.39 0 O-C-N 124.707 1.254 . . . . 141.18 109.53 -164.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 26.44 51.75 0.06 OUTLIER Glycine 0 C--N 1.351 1.408 0 C-N-CA 126.29 1.9 . . . . 107.89 112.655 -171.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.2 mtmm -80.95 161.64 24.23 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 119.4 -0.92 . . . . 131.32 108.811 166.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.5 t -89.91 163.77 14.85 Favored 'General case' 0 C--N 1.342 0.281 0 C-N-CA 126.458 1.903 . . . . 133.42 113.829 -161.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' LEU . . . . . 0.695 ' CB ' ' CD ' ' A' ' 68' ' ' PRO . . . 58.16 -156.03 0.01 OUTLIER Pre-proline 0 C--O 1.243 0.732 0 C-N-CA 128.043 2.537 . . . . 146.07 110.437 167.827 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' PRO . . . . . 0.695 ' CD ' ' CB ' ' A' ' 67' ' ' LEU . 59.1 Cg_endo -75.35 163.13 35.15 Favored 'Trans proline' 0 C--N 1.371 1.735 0 C-N-CA 122.042 1.828 . . . . 102.55 111.759 -176.838 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.14 177.83 37.34 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 119.245 -1.455 . . . . 85.72 110.421 170.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.8 t -110.58 137.57 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 N-CA-C 107.45 -1.315 . . . . 94.31 107.45 -170.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.2 t -131.0 132.07 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 107.688 -1.227 . . . . 96.49 107.688 176.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.0 ttp-105 -103.76 120.32 40.72 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 107.415 -1.328 . . . . 126.08 107.415 175.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 48.26 -111.73 0.96 Allowed Glycine 0 C--N 1.338 0.682 0 N-CA-C 110.573 -1.011 . . . . 96.37 110.573 -169.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . . . -92.97 -10.62 35.71 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 118.27 -0.872 . . . . 113.27 110.477 -176.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -108.26 100.79 10.06 Favored 'General case' 0 C--N 1.348 0.502 0 N-CA-C 113.721 1.008 . . . . 126.28 113.721 -160.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -34.04 150.65 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.339 -0.851 . . . . 91.82 111.305 166.481 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 31.2 mm -136.08 -57.12 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.476 0 N-CA-C 105.997 -1.853 . . . . 81.63 105.997 -171.493 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -172.54 167.48 40.38 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 118.256 -1.926 . . . . 102.54 109.185 -172.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -119.23 -179.41 3.84 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 104.394 -2.447 . . . . 118.22 104.394 -178.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 41.5 p-90 -54.03 -34.23 59.42 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 118.002 -1.479 . . . . 128.16 110.137 -167.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -77.81 -53.58 7.33 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.901 -0.777 . . . . 126.59 108.901 -172.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -49.07 -54.33 16.45 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.217 -0.901 . . . . 139.0 110.471 177.173 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 46.2 mm -54.83 -50.35 62.09 Favored 'Isoleucine or valine' 0 C--N 1.35 0.613 0 C-N-CA 124.992 1.317 . . . . 105.56 111.316 179.181 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . . . -48.49 -44.46 35.83 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 124.006 0.816 . . . . 106.16 109.022 171.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . 0.289 75.0 m-20 -62.94 -64.77 0.82 Allowed 'General case' 0 C--N 1.345 0.395 0 N-CA-C 109.255 -0.646 . . . . 125.44 109.255 178.474 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -43.55 -41.36 4.46 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.701 0.8 . . . . 107.21 111.511 -178.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -67.61 -42.52 82.24 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 122.333 -0.229 . . . . 107.33 110.643 -174.081 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.78 -38.37 76.68 Favored 'General case' 0 C--N 1.342 0.27 0 N-CA-C 109.328 -0.619 . . . . 165.06 109.328 -177.041 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -80.97 12.04 3.59 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 122.604 0.362 . . . . 133.52 111.764 176.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 50.79 50.77 18.34 Favored 'General case' 0 C--N 1.346 0.432 0 C-N-CA 123.217 0.607 . . . . 98.04 110.623 176.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.02 16.38 4.66 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 120.82 -0.352 . . . . 130.87 111.375 -175.776 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 40.0 tp -66.88 -41.84 86.55 Favored 'General case' 0 C--N 1.345 0.408 0 O-C-N 123.077 0.235 . . . . 107.92 111.147 -165.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.1 mtp85 -76.03 -23.97 55.2 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.254 -0.647 . . . . 111.55 109.254 -171.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -69.43 -58.43 4.0 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 116.817 -1.563 . . . . 118.08 110.394 173.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . . . -50.54 -41.34 53.76 Favored 'General case' 0 C--N 1.367 1.352 0 N-CA-C 107.91 -1.144 . . . . 118.75 107.91 175.12 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 28.6 tp -67.05 -43.38 82.86 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 124.877 1.361 . . . . 98.36 112.366 -171.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -115.91 6.89 14.32 Favored 'General case' 0 C--N 1.334 -0.083 0 C-N-CA 117.722 -1.591 . . . . 108.71 112.31 -165.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -125.93 43.96 2.95 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 118.814 -1.155 . . . . 130.28 111.462 169.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.345 0.4 0 CA-C-O 117.426 -1.273 . . . . 114.54 111.312 172.63 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . 0.674 ' O ' ' N ' ' A' ' 47' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.917 0 N-CA-C 108.032 -1.099 . . . . 158.55 108.032 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . . . -147.63 -168.51 3.08 Favored 'General case' 0 C--O 1.224 -0.26 0 N-CA-C 105.68 -1.971 . . . . 153.09 105.68 178.784 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . . . -94.81 49.52 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 118.071 -1.452 . . . . 137.78 108.968 159.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . . . -79.81 123.89 28.13 Favored 'General case' 0 C--N 1.347 0.484 0 N-CA-C 107.796 -1.187 . . . . 136.74 107.796 175.526 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LYS . . . . . 0.441 ' C ' ' H ' ' A' ' 8' ' ' LEU . . . -55.71 -82.87 0.01 OUTLIER 'General case' 0 C--N 1.352 0.696 0 C-N-CA 126.337 1.855 . . . . 149.63 109.091 -178.92 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 70.57 -30.11 0.2 Allowed 'General case' 0 C--N 1.351 0.642 0 O-C-N 125.294 1.621 . . . . 131.3 110.666 -179.079 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LEU . . . . . 0.441 ' H ' ' C ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -62.78 -26.67 68.83 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 107.633 -1.247 . . . . 106.73 107.633 171.552 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -71.48 -31.59 67.3 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.267 0.556 . . . . 134.35 109.648 176.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.4 p -82.21 9.72 8.2 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.162 -0.472 . . . . 109.48 111.473 -174.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -103.28 145.82 31.31 Favored Pre-proline 0 N--CA 1.449 -0.477 0 C-N-CA 118.163 -1.415 . . . . 130.51 110.378 -165.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -56.44 125.26 18.48 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.38 2.053 . . . . 104.25 112.726 -175.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 74.9 t -99.39 131.98 45.68 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.53 0 C-N-CA 119.865 -0.734 . . . . 91.78 109.84 172.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -125.92 144.32 50.73 Favored 'General case' 0 CA--C 1.51 -0.579 0 N-CA-C 108.078 -1.082 . . . . 90.84 108.078 -177.066 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.4 mt -93.44 114.59 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 O-C-N 125.667 1.855 . . . . 92.53 108.691 157.282 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -82.08 135.38 35.33 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 106.535 -1.654 . . . . 92.77 106.535 172.635 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.2 t -162.95 -179.58 6.86 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 123.892 0.745 . . . . 92.16 110.875 -176.707 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.7 t -139.16 117.85 12.27 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 115.219 -0.9 . . . . 115.26 110.922 174.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mp -72.45 -6.74 45.77 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 123.584 0.553 . . . . 107.25 109.685 177.814 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -106.9 16.43 24.31 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 120.466 -0.494 . . . . 126.47 109.78 176.191 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -93.88 0.4 67.09 Favored Glycine 0 CA--C 1.526 0.744 0 CA-C-O 119.672 -0.516 . . . . 123.34 114.064 -167.52 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.46 164.45 31.92 Favored Glycine 0 C--N 1.34 0.783 0 N-CA-C 110.081 -1.208 . . . . 118.07 110.081 -178.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . . . -66.99 -37.54 84.39 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 109.301 -0.629 . . . . 116.44 109.301 -169.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -53.52 -45.45 69.77 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 115.723 -0.671 . . . . 126.45 110.284 179.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.9 t -68.09 -45.28 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 C-N-CA 122.954 0.502 . . . . 122.89 111.131 -176.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 pt -67.13 -32.54 58.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 120.587 -0.445 . . . . 120.31 109.81 175.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.8 tp -64.33 -47.74 78.25 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 119.277 -0.969 . . . . 117.18 109.41 177.427 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . . . -62.49 -27.27 69.02 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 125.237 1.415 . . . . 105.32 108.954 178.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.6 m -75.27 -32.18 60.98 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.055 -0.521 . . . . 105.79 110.274 179.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -67.87 -48.14 66.93 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 118.122 -1.431 . . . . 102.83 110.203 177.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -54.2 -44.06 71.29 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 125.824 1.65 . . . . 121.33 110.738 179.455 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.3 tp -66.15 -37.03 84.68 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.604 -0.725 . . . . 98.97 111.498 178.448 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.61 -37.83 77.04 Favored 'General case' 0 C--N 1.343 0.326 0 N-CA-C 109.181 -0.674 . . . . 89.05 109.181 -179.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.15 -45.27 93.64 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.842 -0.617 . . . . 85.28 109.46 -179.16 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 39.0 mt -60.92 -42.08 91.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 C-N-CA 119.963 -0.695 . . . . 86.07 109.746 176.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.3 mt -68.53 -37.93 80.42 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 118.299 -1.36 . . . . 86.28 108.629 -171.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -77.5 -42.1 36.91 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 125.191 1.557 . . . . 136.57 107.188 -171.567 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -49.93 -18.03 1.79 Allowed Glycine 0 CA--C 1.538 1.518 0 N-CA-C 116.788 1.475 . . . . 110.61 116.788 166.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -121.72 14.32 10.9 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 118.298 1.049 . . . . 93.72 109.368 -169.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.18 15.74 81.29 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.619 1.199 . . . . 79.64 114.168 176.239 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 74.5 mt -104.13 115.62 46.4 Favored 'Isoleucine or valine' 0 C--N 1.344 0.358 0 N-CA-C 107.115 -1.439 . . . . 94.51 107.115 -167.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -74.94 154.01 38.33 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 107.912 -1.144 . . . . 83.5 107.912 177.36 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -160.98 152.38 19.15 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 113.675 0.991 . . . . 103.15 113.675 -178.85 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -115.91 145.19 43.11 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 107.875 -1.157 . . . . 124.6 107.875 170.455 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -78.13 150.29 33.67 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 123.916 0.886 . . . . 93.89 110.998 172.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.0 mmt85 -130.88 129.58 42.46 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 106.558 -1.645 . . . . 158.0 106.558 172.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -96.14 134.7 38.89 Favored 'General case' 0 C--N 1.346 0.434 0 O-C-N 124.599 1.187 . . . . 125.14 108.715 -179.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LEU . . . . . 0.404 ' HG ' ' HA ' ' A' ' 55' ' ' LYS . 5.3 mp -92.55 7.47 43.13 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 109.587 -0.523 . . . . 158.11 109.587 -177.32 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -92.33 -16.5 49.76 Favored Glycine 0 CA--C 1.527 0.806 0 CA-C-N 115.156 -0.929 . . . . 130.52 111.128 177.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 72.4 p -147.54 0.47 0.68 Allowed 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.133 0.573 . . . . 125.74 109.527 -164.071 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -124.13 85.63 2.44 Favored 'General case' 0 C--O 1.223 -0.338 0 C-N-CA 120.466 -0.493 . . . . 128.65 110.043 177.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . . . -50.35 -50.16 51.98 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 108.885 -0.783 . . . . 115.69 108.885 176.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLU . . . . . 0.602 ' O ' HD12 ' A' ' 57' ' ' ILE . . . -46.0 -39.96 9.82 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-O 118.642 -0.694 . . . . 135.41 111.772 178.363 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -83.02 -41.49 18.62 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 124.371 1.068 . . . . 128.81 112.853 -171.174 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LYS . . . . . 0.404 ' HA ' ' HG ' ' A' ' 48' ' ' LEU . 10.6 ttmm -48.5 -34.54 11.43 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 124.538 1.135 . . . . 157.15 109.342 172.241 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . . . -92.23 4.03 54.12 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 125.604 1.561 . . . . 138.54 111.154 -172.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ILE . . . . . 0.602 HD12 ' O ' ' A' ' 53' ' ' GLU . 2.1 mp -101.43 -42.79 9.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 N-CA-C 106.1 -1.815 . . . . 118.97 106.1 165.341 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 48.4 t-105 -61.16 -35.49 77.25 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 116.567 -2.053 . . . . 122.77 109.068 -179.767 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . . . -54.18 -73.13 0.05 Allowed 'General case' 0 C--N 1.35 0.63 0 O-C-N 125.364 1.665 . . . . 120.29 110.255 176.52 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . . . -40.13 -67.58 0.22 Allowed 'General case' 0 CA--C 1.541 0.63 0 O-C-N 123.852 0.72 . . . . 108.43 111.227 172.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -92.44 -22.06 19.83 Favored 'General case' 0 C--N 1.349 0.552 0 N-CA-C 116.155 1.909 . . . . 114.16 116.155 -153.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -82.96 -4.21 57.99 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 116.798 -1.961 . . . . 112.67 112.3 -165.112 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 43.67 55.3 5.1 Favored 'General case' 0 C--N 1.345 0.39 0 O-C-N 124.707 1.254 . . . . 141.18 109.53 -164.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 26.44 51.75 0.06 OUTLIER Glycine 0 C--N 1.351 1.408 0 C-N-CA 126.29 1.9 . . . . 107.89 112.655 -171.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' LYS . . . . . 0.725 ' HE3' ' OE2' ' A' ' 82' ' ' GLU . 6.2 mtmm -80.95 161.64 24.23 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 119.4 -0.92 . . . . 131.32 108.811 166.558 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' THR . . . . . 0.659 HG23 ' HE1' ' A' ' 80' ' ' TRP . 10.5 t -89.91 163.77 14.85 Favored 'General case' 0 C--N 1.342 0.281 0 C-N-CA 126.458 1.903 . . . . 133.42 113.829 -161.447 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' LEU . . . . . 0.763 ' CB ' ' HD2' ' A' ' 68' ' ' PRO . . . 58.16 -156.03 0.01 OUTLIER Pre-proline 0 C--O 1.243 0.732 0 C-N-CA 128.043 2.537 . . . . 146.07 110.437 167.827 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 68' ' ' PRO . . . . . 0.763 ' HD2' ' CB ' ' A' ' 67' ' ' LEU . 59.1 Cg_endo -75.35 163.13 35.15 Favored 'Trans proline' 0 C--N 1.371 1.735 0 C-N-CA 122.042 1.828 . . . . 102.55 111.759 -176.838 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.14 177.83 37.34 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 119.245 -1.455 . . . . 85.72 110.421 170.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.8 t -110.58 137.57 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 N-CA-C 107.45 -1.315 . . . . 94.31 107.45 -170.97 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.2 t -131.0 132.07 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 107.688 -1.227 . . . . 96.49 107.688 176.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.0 ttp-105 -103.76 120.32 40.72 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 107.415 -1.328 . . . . 126.08 107.415 175.457 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 48.26 -111.73 0.96 Allowed Glycine 0 C--N 1.338 0.682 0 N-CA-C 110.573 -1.011 . . . . 96.37 110.573 -169.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . . . -92.97 -10.62 35.71 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 118.27 -0.872 . . . . 113.27 110.477 -176.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -108.26 100.79 10.06 Favored 'General case' 0 C--N 1.348 0.502 0 N-CA-C 113.721 1.008 . . . . 126.28 113.721 -160.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -34.04 150.65 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.339 -0.851 . . . . 91.82 111.305 166.481 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 31.2 mm -136.08 -57.12 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.476 0 N-CA-C 105.997 -1.853 . . . . 81.63 105.997 -171.493 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -172.54 167.48 40.38 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 118.256 -1.926 . . . . 102.54 109.185 -172.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ASN . . . . . 0.419 ' H ' ' HB2' ' A' ' 82' ' ' GLU . 1.5 p-10 -119.23 -179.41 3.84 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 104.394 -2.447 . . . . 118.22 104.394 -178.363 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' TRP . . . . . 0.659 ' HE1' HG23 ' A' ' 66' ' ' THR . 41.5 p-90 -54.03 -34.23 59.42 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 118.002 -1.479 . . . . 128.16 110.137 -167.667 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -77.81 -53.58 7.33 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.901 -0.777 . . . . 126.59 108.901 -172.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' GLU . . . . . 0.725 ' OE2' ' HE3' ' A' ' 65' ' ' LYS . 36.2 mt-10 -49.07 -54.33 16.45 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.217 -0.901 . . . . 139.0 110.471 177.173 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 46.2 mm -54.83 -50.35 62.09 Favored 'Isoleucine or valine' 0 C--N 1.35 0.613 0 C-N-CA 124.992 1.317 . . . . 105.56 111.316 179.181 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . . . -48.49 -44.46 35.83 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 124.006 0.816 . . . . 106.16 109.022 171.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . 0.289 75.0 m-20 -62.94 -64.77 0.82 Allowed 'General case' 0 C--N 1.345 0.395 0 N-CA-C 109.255 -0.646 . . . . 125.44 109.255 178.474 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -43.55 -41.36 4.46 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.701 0.8 . . . . 107.21 111.511 -178.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -67.61 -42.52 82.24 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 122.333 -0.229 . . . . 107.33 110.643 -174.081 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.78 -38.37 76.68 Favored 'General case' 0 C--N 1.342 0.27 0 N-CA-C 109.328 -0.619 . . . . 165.06 109.328 -177.041 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 89' ' ' GLU . . . . . 0.478 ' HG3' ' HB2' ' A' ' 91' ' ' ARG . 24.5 pt-20 -80.97 12.04 3.59 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 122.604 0.362 . . . . 133.52 111.764 176.517 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 50.79 50.77 18.34 Favored 'General case' 0 C--N 1.346 0.432 0 C-N-CA 123.217 0.607 . . . . 98.04 110.623 176.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ARG . . . . . 0.478 ' HB2' ' HG3' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -132.02 16.38 4.66 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 120.82 -0.352 . . . . 130.87 111.375 -175.776 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 40.0 tp -66.88 -41.84 86.55 Favored 'General case' 0 C--N 1.345 0.408 0 O-C-N 123.077 0.235 . . . . 107.92 111.147 -165.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.1 mtp85 -76.03 -23.97 55.2 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.254 -0.647 . . . . 111.55 109.254 -171.694 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -69.43 -58.43 4.0 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 116.817 -1.563 . . . . 118.08 110.394 173.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . . . -50.54 -41.34 53.76 Favored 'General case' 0 C--N 1.367 1.352 0 N-CA-C 107.91 -1.144 . . . . 118.75 107.91 175.12 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 28.6 tp -67.05 -43.38 82.86 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 124.877 1.361 . . . . 98.36 112.366 -171.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -115.91 6.89 14.32 Favored 'General case' 0 C--N 1.334 -0.083 0 C-N-CA 117.722 -1.591 . . . . 108.71 112.31 -165.087 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -125.93 43.96 2.95 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 118.814 -1.155 . . . . 130.28 111.462 169.828 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.345 0.4 0 CA-C-O 117.426 -1.273 . . . . 114.54 111.312 172.63 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.917 0 N-CA-C 108.032 -1.099 . . . . 158.55 108.032 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . . . -147.63 -168.51 3.08 Favored 'General case' 0 C--O 1.224 -0.26 0 N-CA-C 105.68 -1.971 . . . . 153.09 105.68 178.784 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . . . -94.81 49.52 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 118.071 -1.452 . . . . 137.78 108.968 159.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . . . -79.81 123.89 28.13 Favored 'General case' 0 C--N 1.347 0.484 0 N-CA-C 107.796 -1.187 . . . . 136.74 107.796 175.526 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.441 ' C ' ' H ' ' A' ' 8' ' ' LEU . . . -55.71 -82.87 0.01 OUTLIER 'General case' 0 C--N 1.352 0.696 0 C-N-CA 126.337 1.855 . . . . 149.63 109.091 -178.92 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 70.57 -30.11 0.2 Allowed 'General case' 0 C--N 1.351 0.642 0 O-C-N 125.294 1.621 . . . . 131.3 110.666 -179.079 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.441 ' H ' ' C ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -62.78 -26.67 68.83 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 107.633 -1.247 . . . . 106.73 107.633 171.552 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -71.48 -31.59 67.3 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.267 0.556 . . . . 134.35 109.648 176.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.4 p -82.21 9.72 8.2 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.162 -0.472 . . . . 109.48 111.473 -174.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -103.28 145.82 31.31 Favored Pre-proline 0 N--CA 1.449 -0.477 0 C-N-CA 118.163 -1.415 . . . . 130.51 110.378 -165.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -56.44 125.26 18.48 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.38 2.053 . . . . 104.25 112.726 -175.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 74.9 t -99.39 131.98 45.68 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.53 0 C-N-CA 119.865 -0.734 . . . . 91.78 109.84 172.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -125.92 144.32 50.73 Favored 'General case' 0 CA--C 1.51 -0.579 0 N-CA-C 108.078 -1.082 . . . . 90.84 108.078 -177.066 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.4 mt -93.44 114.59 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 O-C-N 125.667 1.855 . . . . 92.53 108.691 157.282 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -82.08 135.38 35.33 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 106.535 -1.654 . . . . 92.77 106.535 172.635 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.2 t -162.95 -179.58 6.86 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 123.892 0.745 . . . . 92.16 110.875 -176.707 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.7 t -139.16 117.85 12.27 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 115.219 -0.9 . . . . 115.26 110.922 174.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mp -72.45 -6.74 45.77 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 123.584 0.553 . . . . 107.25 109.685 177.814 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -106.9 16.43 24.31 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 120.466 -0.494 . . . . 126.47 109.78 176.191 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -93.88 0.4 67.09 Favored Glycine 0 CA--C 1.526 0.744 0 CA-C-O 119.672 -0.516 . . . . 123.34 114.064 -167.52 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.46 164.45 31.92 Favored Glycine 0 C--N 1.34 0.783 0 N-CA-C 110.081 -1.208 . . . . 118.07 110.081 -178.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . . . -66.99 -37.54 84.39 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 109.301 -0.629 . . . . 116.44 109.301 -169.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -53.52 -45.45 69.77 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 115.723 -0.671 . . . . 126.45 110.284 179.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.9 t -68.09 -45.28 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 C-N-CA 122.954 0.502 . . . . 122.89 111.131 -176.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 pt -67.13 -32.54 58.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 120.587 -0.445 . . . . 120.31 109.81 175.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.8 tp -64.33 -47.74 78.25 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 119.277 -0.969 . . . . 117.18 109.41 177.427 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . . . -62.49 -27.27 69.02 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 125.237 1.415 . . . . 105.32 108.954 178.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.6 m -75.27 -32.18 60.98 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.055 -0.521 . . . . 105.79 110.274 179.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -67.87 -48.14 66.93 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 118.122 -1.431 . . . . 102.83 110.203 177.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -54.2 -44.06 71.29 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 125.824 1.65 . . . . 121.33 110.738 179.455 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.3 tp -66.15 -37.03 84.68 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.604 -0.725 . . . . 98.97 111.498 178.448 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.61 -37.83 77.04 Favored 'General case' 0 C--N 1.343 0.326 0 N-CA-C 109.181 -0.674 . . . . 89.05 109.181 -179.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.15 -45.27 93.64 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.842 -0.617 . . . . 85.28 109.46 -179.16 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 39.0 mt -60.92 -42.08 91.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 C-N-CA 119.963 -0.695 . . . . 86.07 109.746 176.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.3 mt -68.53 -37.93 80.42 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 118.299 -1.36 . . . . 86.28 108.629 -171.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -77.5 -42.1 36.91 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 125.191 1.557 . . . . 136.57 107.188 -171.567 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -49.93 -18.03 1.79 Allowed Glycine 0 CA--C 1.538 1.518 0 N-CA-C 116.788 1.475 . . . . 110.61 116.788 166.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -121.72 14.32 10.9 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 118.298 1.049 . . . . 93.72 109.368 -169.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.18 15.74 81.29 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.619 1.199 . . . . 79.64 114.168 176.239 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 74.5 mt -104.13 115.62 46.4 Favored 'Isoleucine or valine' 0 C--N 1.344 0.358 0 N-CA-C 107.115 -1.439 . . . . 94.51 107.115 -167.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . -74.94 154.01 38.33 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 107.912 -1.144 . . . . 83.5 107.912 177.36 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -160.98 152.38 19.15 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 113.675 0.991 . . . . 103.15 113.675 -178.85 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -115.91 145.19 43.11 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 107.875 -1.157 . . . . 124.6 107.875 170.455 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -78.13 150.29 33.67 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 123.916 0.886 . . . . 93.89 110.998 172.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.0 mmt85 -130.88 129.58 42.46 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 106.558 -1.645 . . . . 158.0 106.558 172.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -96.14 134.7 38.89 Favored 'General case' 0 C--N 1.346 0.434 0 O-C-N 124.599 1.187 . . . . 125.14 108.715 -179.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.404 ' HG ' ' HA ' ' A' ' 55' ' ' LYS . 5.3 mp -92.55 7.47 43.13 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 109.587 -0.523 . . . . 158.11 109.587 -177.32 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -92.33 -16.5 49.76 Favored Glycine 0 CA--C 1.527 0.806 0 CA-C-N 115.156 -0.929 . . . . 130.52 111.128 177.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 72.4 p -147.54 0.47 0.68 Allowed 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.133 0.573 . . . . 125.74 109.527 -164.071 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -124.13 85.63 2.44 Favored 'General case' 0 C--O 1.223 -0.338 0 C-N-CA 120.466 -0.493 . . . . 128.65 110.043 177.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . . . -50.35 -50.16 51.98 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 108.885 -0.783 . . . . 115.69 108.885 176.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.602 ' O ' HD12 ' A' ' 57' ' ' ILE . . . -46.0 -39.96 9.82 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-O 118.642 -0.694 . . . . 135.41 111.772 178.363 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -83.02 -41.49 18.62 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 124.371 1.068 . . . . 128.81 112.853 -171.174 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.404 ' HA ' ' HG ' ' A' ' 48' ' ' LEU . 10.6 ttmm -48.5 -34.54 11.43 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 124.538 1.135 . . . . 157.15 109.342 172.241 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . . . -92.23 4.03 54.12 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 125.604 1.561 . . . . 138.54 111.154 -172.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.602 HD12 ' O ' ' A' ' 53' ' ' GLU . 2.1 mp -101.43 -42.79 9.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 N-CA-C 106.1 -1.815 . . . . 118.97 106.1 165.341 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 48.4 t-105 -61.16 -35.49 77.25 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 116.567 -2.053 . . . . 122.77 109.068 -179.767 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . . . -54.18 -73.13 0.05 Allowed 'General case' 0 C--N 1.35 0.63 0 O-C-N 125.364 1.665 . . . . 120.29 110.255 176.52 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . . . -40.13 -67.58 0.22 Allowed 'General case' 0 CA--C 1.541 0.63 0 O-C-N 123.852 0.72 . . . . 108.43 111.227 172.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -92.44 -22.06 19.83 Favored 'General case' 0 C--N 1.349 0.552 0 N-CA-C 116.155 1.909 . . . . 114.16 116.155 -153.549 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -82.96 -4.21 57.99 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 116.798 -1.961 . . . . 112.67 112.3 -165.112 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 43.67 55.3 5.1 Favored 'General case' 0 C--N 1.345 0.39 0 O-C-N 124.707 1.254 . . . . 141.18 109.53 -164.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 26.44 51.75 0.06 OUTLIER Glycine 0 C--N 1.351 1.408 0 C-N-CA 126.29 1.9 . . . . 107.89 112.655 -171.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.725 ' HE3' ' OE2' ' A' ' 82' ' ' GLU . 6.2 mtmm -80.95 161.64 24.23 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 119.4 -0.92 . . . . 131.32 108.811 166.558 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' THR . . . . . 0.659 HG23 ' HE1' ' A' ' 80' ' ' TRP . 10.5 t -89.91 163.77 14.85 Favored 'General case' 0 C--N 1.342 0.281 0 C-N-CA 126.458 1.903 . . . . 133.42 113.829 -161.447 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.763 ' CB ' ' HD2' ' A' ' 68' ' ' PRO . . . 58.16 -156.03 0.01 OUTLIER Pre-proline 0 C--O 1.243 0.732 0 C-N-CA 128.043 2.537 . . . . 146.07 110.437 167.827 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.763 ' HD2' ' CB ' ' A' ' 67' ' ' LEU . 59.1 Cg_endo -75.35 163.13 35.15 Favored 'Trans proline' 0 C--N 1.371 1.735 0 C-N-CA 122.042 1.828 . . . . 102.55 111.759 -176.838 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.14 177.83 37.34 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 119.245 -1.455 . . . . 85.72 110.421 170.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.8 t -110.58 137.57 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 N-CA-C 107.45 -1.315 . . . . 94.31 107.45 -170.97 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.2 t -131.0 132.07 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 107.688 -1.227 . . . . 96.49 107.688 176.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.0 ttp-105 -103.76 120.32 40.72 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 107.415 -1.328 . . . . 126.08 107.415 175.457 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 48.26 -111.73 0.96 Allowed Glycine 0 C--N 1.338 0.682 0 N-CA-C 110.573 -1.011 . . . . 96.37 110.573 -169.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . . . -92.97 -10.62 35.71 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 118.27 -0.872 . . . . 113.27 110.477 -176.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -108.26 100.79 10.06 Favored 'General case' 0 C--N 1.348 0.502 0 N-CA-C 113.721 1.008 . . . . 126.28 113.721 -160.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -34.04 150.65 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.339 -0.851 . . . . 91.82 111.305 166.481 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 31.2 mm -136.08 -57.12 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.476 0 N-CA-C 105.997 -1.853 . . . . 81.63 105.997 -171.493 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -172.54 167.48 40.38 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 118.256 -1.926 . . . . 102.54 109.185 -172.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.419 ' H ' ' HB2' ' A' ' 82' ' ' GLU . 1.5 p-10 -119.23 -179.41 3.84 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 104.394 -2.447 . . . . 118.22 104.394 -178.363 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.659 ' HE1' HG23 ' A' ' 66' ' ' THR . 41.5 p-90 -54.03 -34.23 59.42 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 118.002 -1.479 . . . . 128.16 110.137 -167.667 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -77.81 -53.58 7.33 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.901 -0.777 . . . . 126.59 108.901 -172.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.725 ' OE2' ' HE3' ' A' ' 65' ' ' LYS . 36.2 mt-10 -49.07 -54.33 16.45 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.217 -0.901 . . . . 139.0 110.471 177.173 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 46.2 mm -54.83 -50.35 62.09 Favored 'Isoleucine or valine' 0 C--N 1.35 0.613 0 C-N-CA 124.992 1.317 . . . . 105.56 111.316 179.181 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . . . -48.49 -44.46 35.83 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 124.006 0.816 . . . . 106.16 109.022 171.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . 0.289 75.0 m-20 -62.94 -64.77 0.82 Allowed 'General case' 0 C--N 1.345 0.395 0 N-CA-C 109.255 -0.646 . . . . 125.44 109.255 178.474 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -43.55 -41.36 4.46 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.701 0.8 . . . . 107.21 111.511 -178.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -67.61 -42.52 82.24 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 122.333 -0.229 . . . . 107.33 110.643 -174.081 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.78 -38.37 76.68 Favored 'General case' 0 C--N 1.342 0.27 0 N-CA-C 109.328 -0.619 . . . . 165.06 109.328 -177.041 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.478 ' HG3' ' HB2' ' A' ' 91' ' ' ARG . 24.5 pt-20 -80.97 12.04 3.59 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 122.604 0.362 . . . . 133.52 111.764 176.517 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 50.79 50.77 18.34 Favored 'General case' 0 C--N 1.346 0.432 0 C-N-CA 123.217 0.607 . . . . 98.04 110.623 176.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.478 ' HB2' ' HG3' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -132.02 16.38 4.66 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 120.82 -0.352 . . . . 130.87 111.375 -175.776 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 40.0 tp -66.88 -41.84 86.55 Favored 'General case' 0 C--N 1.345 0.408 0 O-C-N 123.077 0.235 . . . . 107.92 111.147 -165.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.1 mtp85 -76.03 -23.97 55.2 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.254 -0.647 . . . . 111.55 109.254 -171.694 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -69.43 -58.43 4.0 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 116.817 -1.563 . . . . 118.08 110.394 173.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . . . -50.54 -41.34 53.76 Favored 'General case' 0 C--N 1.367 1.352 0 N-CA-C 107.91 -1.144 . . . . 118.75 107.91 175.12 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 28.6 tp -67.05 -43.38 82.86 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 124.877 1.361 . . . . 98.36 112.366 -171.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -115.91 6.89 14.32 Favored 'General case' 0 C--N 1.334 -0.083 0 C-N-CA 117.722 -1.591 . . . . 108.71 112.31 -165.087 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -125.93 43.96 2.95 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 118.814 -1.155 . . . . 130.28 111.462 169.828 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.345 0.4 0 CA-C-O 117.426 -1.273 . . . . 114.54 111.312 172.63 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_