data_4iyl_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 4iyl _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.496 1.871 0 N-CA-C 113.655 0.983 . . . . 134.44 113.655 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -74.86 -175.53 2.55 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-O 121.765 0.793 . . . . 135.5 109.906 164.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 t -69.96 -32.04 70.07 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 116.005 -0.543 . . . . 89.55 110.881 179.061 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.54 -45.05 48.16 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 123.944 0.778 . . . . 74.79 112.168 -173.36 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -64.56 -53.66 44.36 Favored 'General case' 0 CA--C 1.512 -0.486 0 O-C-N 123.699 0.624 . . . . 137.03 110.285 176.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -37.19 -42.69 0.46 Allowed 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 120.515 -0.474 . . . . 92.8 111.668 169.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.15 -28.74 38.81 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 112.469 0.544 . . . . 67.34 112.469 -174.103 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -66.55 -49.69 65.6 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 123.498 0.499 . . . . 84.71 110.554 173.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.7 mt -50.11 -50.38 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 N-CA-C 112.974 0.731 . . . . 77.33 112.974 174.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.9 t -53.44 -49.15 55.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 112.144 0.424 . . . . 81.32 112.144 174.259 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.03 -34.65 78.94 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 120.934 0.397 . . . . 76.39 111.49 -174.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -67.72 -59.63 3.17 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 114.215 -1.357 . . . . 92.29 110.457 175.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -82.52 8.88 10.51 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 114.892 1.441 . . . . 82.78 114.892 -169.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.98 152.68 38.74 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 123.951 0.782 . . . . 102.55 110.676 175.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.29 -1.09 10.86 Favored 'General case' 0 N--CA 1.505 2.305 0 C-N-CA 124.593 1.157 . . . . 117.17 113.608 177.228 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 41.2 tttt -169.46 158.51 7.11 Favored Pre-proline 0 CA--C 1.539 0.533 0 N-CA-C 106.108 -1.812 . . . . 135.63 106.108 -177.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -56.23 122.17 11.3 Favored 'Trans proline' 0 CA--C 1.553 1.436 0 C-N-CA 121.826 1.684 . . . . 150.96 115.997 167.425 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.97 -3.07 44.64 Favored Glycine 0 N--CA 1.47 0.944 0 CA-C-O 119.823 -0.432 . . . . 141.17 113.724 178.076 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -74.15 84.8 1.84 Allowed 'General case' 0 C--O 1.242 0.698 0 N-CA-C 108.922 -0.77 . . . . 113.85 108.922 178.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.4 m -93.59 -6.08 47.38 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 114.741 -1.118 . . . . 105.4 109.126 166.614 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -147.48 32.5 1.35 Allowed Glycine 0 N--CA 1.485 1.965 0 N-CA-C 122.499 3.76 . . . . 88.91 122.499 -168.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 89.8 p -69.23 159.22 33.44 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-O 122.684 1.231 . . . . 65.68 111.418 166.298 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 26.0 m -50.7 -36.87 38.21 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.595 -1.184 . . . . 58.49 111.233 173.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.5 mp0 -70.42 -44.17 68.47 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 121.789 0.804 . . . . 77.94 113.146 -176.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 49.3 t -58.48 -56.84 13.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 114.192 -1.367 . . . . 64.56 108.782 176.432 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -54.05 -44.6 71.22 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 121.568 0.699 . . . . 76.35 112.641 -178.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.2 t -61.74 -46.48 96.44 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.938 0 C-N-CA 119.034 -1.066 . . . . 55.28 108.817 -179.481 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.36 -40.61 87.0 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 121.21 0.529 . . . . 58.81 110.908 178.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -38.79 84.93 Favored 'General case' 0 CA--C 1.499 -1.015 0 C-N-CA 119.747 -0.781 . . . . 64.79 112.341 178.378 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.0 mt -70.22 -35.47 73.9 Favored 'General case' 0 CA--C 1.499 -0.984 0 N-CA-C 105.969 -1.863 . . . . 67.34 105.969 -175.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 97.1 m -61.5 -48.39 81.28 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 113.013 0.745 . . . . 66.95 113.013 -179.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.65 -46.78 70.69 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.884 0.698 . . . . 72.11 112.884 171.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 -65.69 -52.37 52.06 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 122.246 -0.284 . . . . 126.31 111.38 -179.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.7 mt -56.08 -41.86 70.25 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.735 0 CA-C-N 116.495 -0.32 . . . . 66.69 110.493 176.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.18 -47.85 83.79 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 114.607 1.336 . . . . 80.01 114.607 177.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.94 -43.17 93.61 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-O 119.048 -0.501 . . . . 124.16 110.894 -179.698 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.8 mp -61.03 -33.53 73.42 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 114.051 1.13 . . . . 92.34 114.051 174.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.1 m -77.65 -40.66 40.98 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.646 -0.706 . . . . 91.6 110.25 -174.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -67.66 -20.95 65.37 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 119.704 -0.798 . . . . 132.46 110.255 174.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -63.38 -54.33 38.56 Favored 'General case' 0 CA--C 1.511 -0.546 0 C-N-CA 119.084 -1.046 . . . . 93.6 108.488 173.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.5 mt -63.75 -36.44 83.89 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.408 -0.815 . . . . 85.03 110.511 -174.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -62.51 -47.38 84.2 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 123.548 0.53 . . . . 105.97 110.429 -178.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 32.6 mm -77.58 -23.8 14.37 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.794 0 CA-C-N 115.718 -0.674 . . . . 112.54 110.756 -174.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -68.31 -51.18 47.65 Favored 'General case' 0 CA--C 1.506 -0.75 0 N-CA-C 112.729 0.64 . . . . 89.69 112.729 174.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -54.55 -51.49 65.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.619 -1.173 . . . . 119.53 110.331 174.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -48.75 -48.03 41.09 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 113.092 0.775 . . . . 120.48 113.092 175.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ASP . . . . . 0.663 ' O ' ' NH1' ' A' ' 53' ' ' ARG . 10.8 m-20 -97.33 4.73 50.7 Favored 'General case' 0 C--O 1.22 -0.494 0 N-CA-C 112.77 0.656 . . . . 124.42 112.77 -173.601 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -99.16 -44.57 6.22 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.615 -0.883 . . . . 90.11 108.615 167.331 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.4 m -59.24 -35.24 73.32 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 116.5 -0.318 . . . . 94.89 111.643 173.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.3 t -76.43 -55.94 5.08 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 111.924 0.342 . . . . 119.01 111.924 176.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ARG . . . . . 0.663 ' NH1' ' O ' ' A' ' 49' ' ' ASP . 15.3 ttm105 -59.49 -32.89 70.68 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.193 0.812 . . . . 151.27 113.193 -176.119 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.8 mp -107.52 6.51 28.12 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 114.336 1.235 . . . . 105.69 114.336 -176.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.35 29.14 64.58 Favored Glycine 0 C--O 1.226 -0.377 0 N-CA-C 117.059 1.584 . . . . 106.48 117.059 168.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 tt -60.89 -42.72 98.54 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 117.963 0.881 . . . . 106.18 111.48 179.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.1 mt -68.84 -31.44 70.41 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.081 0.771 . . . . 108.68 113.081 177.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -57.76 -61.8 2.26 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 108.274 -1.009 . . . . 115.01 108.274 170.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 36.5 mt -52.5 -50.45 62.73 Favored 'General case' 0 N--CA 1.437 -1.084 0 CA-C-N 115.716 -0.674 . . . . 74.55 112.792 -179.351 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 95.9 t -59.66 -42.34 88.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 C-N-CA 119.602 -0.839 . . . . 68.98 112.126 -178.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.29 -33.55 78.15 Favored Glycine 0 N--CA 1.471 0.974 0 CA-C-O 122.35 0.972 . . . . 67.24 111.76 178.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -59.26 -45.26 91.67 Favored 'General case' 0 C--N 1.313 -1.001 0 O-C-N 121.597 -0.943 . . . . 98.48 109.757 173.182 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -75.84 -37.72 58.71 Favored 'General case' 0 CA--C 1.496 -1.096 0 N-CA-C 107.438 -1.319 . . . . 64.47 107.438 -171.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -44.6 -57.5 3.6 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 106.986 -1.487 . . . . 113.13 106.986 173.678 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -67.19 -30.46 70.41 Favored 'General case' 0 CA--C 1.505 -0.755 0 C-N-CA 119.764 -0.774 . . . . 95.17 112.108 -169.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.4 mt -76.47 -42.34 44.09 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 109.328 -0.619 . . . . 52.78 109.328 -176.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 23.1 mt -60.08 -37.12 78.95 Favored 'General case' 0 C--O 1.252 1.236 0 O-C-N 123.798 0.686 . . . . 64.81 110.774 176.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.2 m -67.09 -44.22 80.57 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 115.239 -0.891 . . . . 72.28 110.74 179.174 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -71.48 -25.67 62.38 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 119.029 -1.068 . . . . 81.85 109.698 178.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 26.8 tp -74.14 -48.3 30.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.483 -0.761 . . . . 61.55 112.729 178.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -35.18 -49.04 0.47 Allowed 'General case' 0 N--CA 1.483 1.179 0 CA-C-O 122.311 1.053 . . . . 95.45 112.134 165.79 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -84.04 -45.34 13.19 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 113.299 -1.773 . . . . 105.7 110.32 -163.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -75.18 -43.93 49.44 Favored 'General case' 0 CA--C 1.562 1.408 0 CA-C-O 119.128 -0.463 . . . . 114.99 111.12 177.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -147.31 89.6 1.8 Allowed 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 113.954 1.094 . . . . 103.06 113.954 178.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -66.0 -32.89 74.63 Favored 'General case' 0 N--CA 1.421 -1.901 0 C-N-CA 119.386 -0.926 . . . . 60.79 113.183 -171.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -62.05 -58.99 5.77 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 108.589 -0.893 . . . . 77.46 108.589 -176.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.7 t -53.74 -41.67 67.33 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 115.002 -0.999 . . . . 79.0 112.165 176.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -55.34 -51.21 67.51 Favored 'General case' 0 C--O 1.204 -1.314 0 CA-C-N 115.518 -0.765 . . . . 62.53 112.39 175.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 84.3 p -67.32 -33.52 75.44 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 113.429 0.9 . . . . 74.24 113.429 178.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -64.6 -40.9 96.34 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.923 0.868 . . . . 108.47 110.952 173.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 27.9 tp -67.17 -44.3 80.03 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.058 0.762 . . . . 80.35 113.058 -177.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.3 pt -73.78 -18.81 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 119.074 -1.05 . . . . 74.32 111.859 -176.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.4 m -70.85 -53.58 14.67 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.075 -0.966 . . . . 95.42 111.016 170.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -61.02 -24.38 66.12 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 114.627 1.343 . . . . 96.99 114.627 177.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 83.8 mt -101.45 3.47 40.38 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.953 1.094 . . . . 74.39 113.953 177.661 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 52.2 55.33 9.34 Favored 'General case' 0 CA--C 1.508 -0.651 0 N-CA-C 108.832 -0.803 . . . . 99.74 108.832 178.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 37.2 mt . . . . . 0 N--CA 1.444 -0.761 0 O-C-N 124.013 0.82 . . . . 86.22 109.229 178.633 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 build full ' A' A ' 3' ' ' LEU . . . . . 0.422 HD21 ' CG ' ' A' ' 35' ' ' ARG . 1.0 OUTLIER . . . . . 0 N--CA 1.496 1.871 0 N-CA-C 113.655 0.983 . . . . 134.44 113.655 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ASP . . . . . 0.4 ' OD2' ' HB3' ' A' ' 6' ' ' ALA . 7.1 p-10 -74.86 -175.53 2.55 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-O 121.765 0.793 . . . . 135.5 109.906 164.791 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 t -69.96 -32.04 70.07 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 116.005 -0.543 . . . . 89.549999999999997 110.881 179.061 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ALA . . . . . 0.4 ' HB3' ' OD2' ' A' ' 4' ' ' ASP . . . -74.54 -45.05 48.16 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 123.944 0.778 . . . . 74.790000000000006 112.168 -173.36 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -64.56 -53.66 44.36 Favored 'General case' 0 CA--C 1.512 -0.486 0 O-C-N 123.699 0.624 . . . . 137.03 110.285 176.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . 0.444 ' O ' HG23 ' A' ' 12' ' ' VAL . 11.0 mtpp -37.19 -42.69 0.46 Allowed 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 120.515 -0.474 . . . . 92.799999999999997 111.668 169.253 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.15 -28.74 38.81 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 112.469 0.544 . . . . 67.340000000000003 112.469 -174.103 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -66.55 -49.69 65.6 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 123.498 0.499 . . . . 84.709999999999994 110.554 173.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.7 mt -50.11 -50.38 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 N-CA-C 112.974 0.731 . . . . 77.329999999999998 112.974 174.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 8' ' ' LYS . 46.9 t -53.44 -49.15 55.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 112.144 0.424 . . . . 81.319999999999993 112.144 174.259 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.03 -34.65 78.94 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 120.934 0.397 . . . . 76.390000000000001 111.49 -174.675 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -67.72 -59.63 3.17 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 114.215 -1.357 . . . . 92.290000000000006 110.457 175.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -82.52 8.88 10.51 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 114.892 1.441 . . . . 82.780000000000001 114.892 -169.479 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.98 152.68 38.74 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 123.951 0.782 . . . . 102.55 110.676 175.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.29 -1.09 10.86 Favored 'General case' 0 N--CA 1.505 2.305 0 C-N-CA 124.593 1.157 . . . . 117.17 113.608 177.228 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 41.2 tttt -169.46 158.51 7.11 Favored Pre-proline 0 CA--C 1.539 0.533 0 N-CA-C 106.108 -1.812 . . . . 135.63 106.108 -177.932 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -56.23 122.17 11.3 Favored 'Trans proline' 0 CA--C 1.553 1.436 0 C-N-CA 121.826 1.684 . . . . 150.96000000000001 115.997 167.425 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.97 -3.07 44.64 Favored Glycine 0 N--CA 1.47 0.944 0 CA-C-O 119.823 -0.432 . . . . 141.16999999999999 113.724 178.076 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -74.15 84.8 1.84 Allowed 'General case' 0 C--O 1.242 0.698 0 N-CA-C 108.922 -0.77 . . . . 113.84999999999999 108.922 178.036 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.4 m -93.59 -6.08 47.38 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 114.741 -1.118 . . . . 105.40000000000001 109.126 166.614 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -147.48 32.5 1.35 Allowed Glycine 0 N--CA 1.485 1.965 0 N-CA-C 122.499 3.76 . . . . 88.909999999999997 122.499 -168.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 89.8 p -69.23 159.22 33.44 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-O 122.684 1.231 . . . . 65.680000000000007 111.418 166.298 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' THR . . . . . 0.497 ' O ' HG23 ' A' ' 29' ' ' VAL . 26.0 m -50.7 -36.87 38.21 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.595 -1.184 . . . . 58.490000000000002 111.233 173.699 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.5 mp0 -70.42 -44.17 68.47 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 121.789 0.804 . . . . 77.939999999999998 113.146 -176.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 49.3 t -58.48 -56.84 13.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 114.192 -1.367 . . . . 64.560000000000002 108.782 176.432 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -54.05 -44.6 71.22 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 121.568 0.699 . . . . 76.349999999999994 112.641 -178.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 25' ' ' THR . 71.2 t -61.74 -46.48 96.44 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.938 0 C-N-CA 119.034 -1.066 . . . . 55.280000000000001 108.817 -179.481 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.36 -40.61 87.0 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 121.21 0.529 . . . . 58.810000000000002 110.908 178.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -38.79 84.93 Favored 'General case' 0 CA--C 1.499 -1.015 0 C-N-CA 119.747 -0.781 . . . . 64.790000000000006 112.341 178.378 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.0 mt -70.22 -35.47 73.9 Favored 'General case' 0 CA--C 1.499 -0.984 0 N-CA-C 105.969 -1.863 . . . . 67.340000000000003 105.969 -175.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 97.1 m -61.5 -48.39 81.28 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 113.013 0.745 . . . . 66.950000000000003 113.013 -179.223 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.65 -46.78 70.69 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.884 0.698 . . . . 72.109999999999999 112.884 171.375 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ARG . . . . . 0.422 ' CG ' HD21 ' A' ' 3' ' ' LEU . 15.2 mtm180 -65.69 -52.37 52.06 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 122.246 -0.284 . . . . 126.31 111.38 -179.75 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.7 mt -56.08 -41.86 70.25 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.735 0 CA-C-N 116.495 -0.32 . . . . 66.689999999999998 110.493 176.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.18 -47.85 83.79 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 114.607 1.336 . . . . 80.010000000000005 114.607 177.06 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.94 -43.17 93.61 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-O 119.048 -0.501 . . . . 124.16 110.894 -179.698 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.8 mp -61.03 -33.53 73.42 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 114.051 1.13 . . . . 92.340000000000003 114.051 174.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.1 m -77.65 -40.66 40.98 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.646 -0.706 . . . . 91.599999999999994 110.25 -174.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -67.66 -20.95 65.37 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 119.704 -0.798 . . . . 132.46000000000001 110.255 174.693 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -63.38 -54.33 38.56 Favored 'General case' 0 CA--C 1.511 -0.546 0 C-N-CA 119.084 -1.046 . . . . 93.599999999999994 108.488 173.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.5 mt -63.75 -36.44 83.89 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.408 -0.815 . . . . 85.030000000000001 110.511 -174.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -62.51 -47.38 84.2 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 123.548 0.53 . . . . 105.97 110.429 -178.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 32.6 mm -77.58 -23.8 14.37 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.794 0 CA-C-N 115.718 -0.674 . . . . 112.54000000000001 110.756 -174.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -68.31 -51.18 47.65 Favored 'General case' 0 CA--C 1.506 -0.75 0 N-CA-C 112.729 0.64 . . . . 89.689999999999998 112.729 174.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -54.55 -51.49 65.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.619 -1.173 . . . . 119.53 110.331 174.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -48.75 -48.03 41.09 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 113.092 0.775 . . . . 120.48 113.092 175.292 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ASP . . . . . 0.663 ' O ' ' NH1' ' A' ' 53' ' ' ARG . 10.8 m-20 -97.33 4.73 50.7 Favored 'General case' 0 C--O 1.22 -0.494 0 N-CA-C 112.77 0.656 . . . . 124.42 112.77 -173.601 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -99.16 -44.57 6.22 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.615 -0.883 . . . . 90.109999999999999 108.615 167.331 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.4 m -59.24 -35.24 73.32 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 116.5 -0.318 . . . . 94.890000000000001 111.643 173.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.3 t -76.43 -55.94 5.08 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 111.924 0.342 . . . . 119.01000000000001 111.924 176.814 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ARG . . . . . 0.663 ' NH1' ' O ' ' A' ' 49' ' ' ASP . 15.3 ttm105 -59.49 -32.89 70.68 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.193 0.812 . . . . 151.27000000000001 113.193 -176.119 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LEU . . . . . 0.518 HD12 ' HB3' ' A' ' 53' ' ' ARG . 6.8 mp -107.52 6.51 28.12 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 114.336 1.235 . . . . 105.69 114.336 -176.952 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.35 29.14 64.58 Favored Glycine 0 C--O 1.226 -0.377 0 N-CA-C 117.059 1.584 . . . . 106.48 117.059 168.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 tt -60.89 -42.72 98.54 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 117.963 0.881 . . . . 106.18000000000001 111.48 179.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.1 mt -68.84 -31.44 70.41 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.081 0.771 . . . . 108.68000000000001 113.081 177.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -57.76 -61.8 2.26 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 108.274 -1.009 . . . . 115.01000000000001 108.274 170.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 36.5 mt -52.5 -50.45 62.73 Favored 'General case' 0 N--CA 1.437 -1.084 0 CA-C-N 115.716 -0.674 . . . . 74.549999999999997 112.792 -179.351 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 95.9 t -59.66 -42.34 88.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 C-N-CA 119.602 -0.839 . . . . 68.980000000000004 112.126 -178.587 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLY . . . . . 0.454 ' O ' ' HE2' ' A' ' 64' ' ' LYS . . . -68.29 -33.55 78.15 Favored Glycine 0 N--CA 1.471 0.974 0 CA-C-O 122.35 0.972 . . . . 67.239999999999995 111.76 178.426 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -59.26 -45.26 91.67 Favored 'General case' 0 C--N 1.313 -1.001 0 O-C-N 121.597 -0.943 . . . . 98.480000000000004 109.757 173.182 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -75.84 -37.72 58.71 Favored 'General case' 0 CA--C 1.496 -1.096 0 N-CA-C 107.438 -1.319 . . . . 64.469999999999999 107.438 -171.528 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' LYS . . . . . 0.586 ' HG2' ' N ' ' A' ' 65' ' ' ARG . 0.7 OUTLIER -44.6 -57.5 3.6 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 106.986 -1.487 . . . . 113.13 106.986 173.678 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ARG . . . . . 0.586 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 94.0 mtm-85 -67.19 -30.46 70.41 Favored 'General case' 0 CA--C 1.505 -0.755 0 C-N-CA 119.764 -0.774 . . . . 95.170000000000002 112.108 -169.498 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.4 mt -76.47 -42.34 44.09 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 109.328 -0.619 . . . . 52.780000000000001 109.328 -176.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 23.1 mt -60.08 -37.12 78.95 Favored 'General case' 0 C--O 1.252 1.236 0 O-C-N 123.798 0.686 . . . . 64.810000000000002 110.774 176.37 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.2 m -67.09 -44.22 80.57 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 115.239 -0.891 . . . . 72.280000000000001 110.74 179.174 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -71.48 -25.67 62.38 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 119.029 -1.068 . . . . 81.849999999999994 109.698 178.636 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LEU . . . . . 0.46 ' HG ' ' HB2' ' A' ' 78' ' ' TYR . 26.8 tp -74.14 -48.3 30.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.483 -0.761 . . . . 61.549999999999997 112.729 178.578 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -35.18 -49.04 0.47 Allowed 'General case' 0 N--CA 1.483 1.179 0 CA-C-O 122.311 1.053 . . . . 95.450000000000003 112.134 165.79 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -84.04 -45.34 13.19 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 113.299 -1.773 . . . . 105.7 110.32 -163.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -75.18 -43.93 49.44 Favored 'General case' 0 CA--C 1.562 1.408 0 CA-C-O 119.128 -0.463 . . . . 114.98999999999999 111.12 177.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -147.31 89.6 1.8 Allowed 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 113.954 1.094 . . . . 103.06 113.954 178.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -66.0 -32.89 74.63 Favored 'General case' 0 N--CA 1.421 -1.901 0 C-N-CA 119.386 -0.926 . . . . 60.789999999999999 113.183 -171.199 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -62.05 -58.99 5.77 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 108.589 -0.893 . . . . 77.459999999999994 108.589 -176.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.7 t -53.74 -41.67 67.33 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 115.002 -0.999 . . . . 79.0 112.165 176.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' TYR . . . . . 0.46 ' HB2' ' HG ' ' A' ' 70' ' ' LEU . 26.3 t80 -55.34 -51.21 67.51 Favored 'General case' 0 C--O 1.204 -1.314 0 CA-C-N 115.518 -0.765 . . . . 62.530000000000001 112.39 175.89 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 84.3 p -67.32 -33.52 75.44 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 113.429 0.9 . . . . 74.239999999999995 113.429 178.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -64.6 -40.9 96.34 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.923 0.868 . . . . 108.47 110.952 173.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 27.9 tp -67.17 -44.3 80.03 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.058 0.762 . . . . 80.349999999999994 113.058 -177.623 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.3 pt -73.78 -18.81 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 119.074 -1.05 . . . . 74.319999999999993 111.859 -176.245 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.4 m -70.85 -53.58 14.67 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.075 -0.966 . . . . 95.420000000000002 111.016 170.775 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -61.02 -24.38 66.12 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 114.627 1.343 . . . . 96.989999999999995 114.627 177.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 83.8 mt -101.45 3.47 40.38 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.953 1.094 . . . . 74.390000000000001 113.953 177.661 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 52.2 55.33 9.34 Favored 'General case' 0 CA--C 1.508 -0.651 0 N-CA-C 108.832 -0.803 . . . . 99.739999999999995 108.832 178.479 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 37.2 mt . . . . . 0 N--CA 1.444 -0.761 0 O-C-N 124.013 0.82 . . . . 86.219999999999999 109.229 178.633 . . . . . . . . 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 nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.422 HD21 ' CG ' ' A' ' 35' ' ' ARG . 1.0 OUTLIER . . . . . 0 N--CA 1.496 1.871 0 N-CA-C 113.655 0.983 . . . . 134.44 113.655 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.4 ' OD2' ' HB3' ' A' ' 6' ' ' ALA . 7.1 p-10 -74.86 -175.53 2.55 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-O 121.765 0.793 . . . . 135.5 109.906 164.791 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 t -69.96 -32.04 70.07 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 116.005 -0.543 . . . . 89.549999999999997 110.881 179.061 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.4 ' HB3' ' OD2' ' A' ' 4' ' ' ASP . . . -74.54 -45.05 48.16 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 123.944 0.778 . . . . 74.790000000000006 112.168 -173.36 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -64.56 -53.66 44.36 Favored 'General case' 0 CA--C 1.512 -0.486 0 O-C-N 123.699 0.624 . . . . 137.03 110.285 176.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.444 ' O ' HG23 ' A' ' 12' ' ' VAL . 11.0 mtpp -37.19 -42.69 0.46 Allowed 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 120.515 -0.474 . . . . 92.799999999999997 111.668 169.253 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.15 -28.74 38.81 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 112.469 0.544 . . . . 67.340000000000003 112.469 -174.103 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -66.55 -49.69 65.6 Favored 'General case' 0 C--O 1.241 0.606 0 O-C-N 123.498 0.499 . . . . 84.709999999999994 110.554 173.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.7 mt -50.11 -50.38 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 N-CA-C 112.974 0.731 . . . . 77.329999999999998 112.974 174.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 8' ' ' LYS . 46.9 t -53.44 -49.15 55.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 112.144 0.424 . . . . 81.319999999999993 112.144 174.259 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.03 -34.65 78.94 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 120.934 0.397 . . . . 76.390000000000001 111.49 -174.675 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -67.72 -59.63 3.17 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 114.215 -1.357 . . . . 92.290000000000006 110.457 175.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -82.52 8.88 10.51 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 114.892 1.441 . . . . 82.780000000000001 114.892 -169.479 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.98 152.68 38.74 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 123.951 0.782 . . . . 102.55 110.676 175.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.29 -1.09 10.86 Favored 'General case' 0 N--CA 1.505 2.305 0 C-N-CA 124.593 1.157 . . . . 117.17 113.608 177.228 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 41.2 tttt -169.46 158.51 7.11 Favored Pre-proline 0 CA--C 1.539 0.533 0 N-CA-C 106.108 -1.812 . . . . 135.63 106.108 -177.932 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -56.23 122.17 11.3 Favored 'Trans proline' 0 CA--C 1.553 1.436 0 C-N-CA 121.826 1.684 . . . . 150.96000000000001 115.997 167.425 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.97 -3.07 44.64 Favored Glycine 0 N--CA 1.47 0.944 0 CA-C-O 119.823 -0.432 . . . . 141.16999999999999 113.724 178.076 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -74.15 84.8 1.84 Allowed 'General case' 0 C--O 1.242 0.698 0 N-CA-C 108.922 -0.77 . . . . 113.84999999999999 108.922 178.036 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.4 m -93.59 -6.08 47.38 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 114.741 -1.118 . . . . 105.40000000000001 109.126 166.614 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -147.48 32.5 1.35 Allowed Glycine 0 N--CA 1.485 1.965 0 N-CA-C 122.499 3.76 . . . . 88.909999999999997 122.499 -168.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 89.8 p -69.23 159.22 33.44 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-O 122.684 1.231 . . . . 65.680000000000007 111.418 166.298 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' THR . . . . . 0.497 ' O ' HG23 ' A' ' 29' ' ' VAL . 26.0 m -50.7 -36.87 38.21 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.595 -1.184 . . . . 58.490000000000002 111.233 173.699 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.5 mp0 -70.42 -44.17 68.47 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 121.789 0.804 . . . . 77.939999999999998 113.146 -176.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 49.3 t -58.48 -56.84 13.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 114.192 -1.367 . . . . 64.560000000000002 108.782 176.432 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -54.05 -44.6 71.22 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 121.568 0.699 . . . . 76.349999999999994 112.641 -178.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 25' ' ' THR . 71.2 t -61.74 -46.48 96.44 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.938 0 C-N-CA 119.034 -1.066 . . . . 55.280000000000001 108.817 -179.481 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.36 -40.61 87.0 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 121.21 0.529 . . . . 58.810000000000002 110.908 178.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -38.79 84.93 Favored 'General case' 0 CA--C 1.499 -1.015 0 C-N-CA 119.747 -0.781 . . . . 64.790000000000006 112.341 178.378 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.0 mt -70.22 -35.47 73.9 Favored 'General case' 0 CA--C 1.499 -0.984 0 N-CA-C 105.969 -1.863 . . . . 67.340000000000003 105.969 -175.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 97.1 m -61.5 -48.39 81.28 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 113.013 0.745 . . . . 66.950000000000003 113.013 -179.223 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.65 -46.78 70.69 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.884 0.698 . . . . 72.109999999999999 112.884 171.375 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.422 ' CG ' HD21 ' A' ' 3' ' ' LEU . 15.2 mtm180 -65.69 -52.37 52.06 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 122.246 -0.284 . . . . 126.31 111.38 -179.75 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.7 mt -56.08 -41.86 70.25 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.735 0 CA-C-N 116.495 -0.32 . . . . 66.689999999999998 110.493 176.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.18 -47.85 83.79 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 114.607 1.336 . . . . 80.010000000000005 114.607 177.06 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.94 -43.17 93.61 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-O 119.048 -0.501 . . . . 124.16 110.894 -179.698 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.8 mp -61.03 -33.53 73.42 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 114.051 1.13 . . . . 92.340000000000003 114.051 174.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.1 m -77.65 -40.66 40.98 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.646 -0.706 . . . . 91.599999999999994 110.25 -174.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -67.66 -20.95 65.37 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 119.704 -0.798 . . . . 132.46000000000001 110.255 174.693 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -63.38 -54.33 38.56 Favored 'General case' 0 CA--C 1.511 -0.546 0 C-N-CA 119.084 -1.046 . . . . 93.599999999999994 108.488 173.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.5 mt -63.75 -36.44 83.89 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.408 -0.815 . . . . 85.030000000000001 110.511 -174.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -62.51 -47.38 84.2 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 123.548 0.53 . . . . 105.97 110.429 -178.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 32.6 mm -77.58 -23.8 14.37 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.794 0 CA-C-N 115.718 -0.674 . . . . 112.54000000000001 110.756 -174.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -68.31 -51.18 47.65 Favored 'General case' 0 CA--C 1.506 -0.75 0 N-CA-C 112.729 0.64 . . . . 89.689999999999998 112.729 174.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -54.55 -51.49 65.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.619 -1.173 . . . . 119.53 110.331 174.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -48.75 -48.03 41.09 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 113.092 0.775 . . . . 120.48 113.092 175.292 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.663 ' O ' ' NH1' ' A' ' 53' ' ' ARG . 10.8 m-20 -97.33 4.73 50.7 Favored 'General case' 0 C--O 1.22 -0.494 0 N-CA-C 112.77 0.656 . . . . 124.42 112.77 -173.601 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -99.16 -44.57 6.22 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.615 -0.883 . . . . 90.109999999999999 108.615 167.331 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.4 m -59.24 -35.24 73.32 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 116.5 -0.318 . . . . 94.890000000000001 111.643 173.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.3 t -76.43 -55.94 5.08 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 111.924 0.342 . . . . 119.01000000000001 111.924 176.814 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.663 ' NH1' ' O ' ' A' ' 49' ' ' ASP . 15.3 ttm105 -59.49 -32.89 70.68 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.193 0.812 . . . . 151.27000000000001 113.193 -176.119 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.518 HD12 ' HB3' ' A' ' 53' ' ' ARG . 6.8 mp -107.52 6.51 28.12 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 114.336 1.235 . . . . 105.69 114.336 -176.952 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.35 29.14 64.58 Favored Glycine 0 C--O 1.226 -0.377 0 N-CA-C 117.059 1.584 . . . . 106.48 117.059 168.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 tt -60.89 -42.72 98.54 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 117.963 0.881 . . . . 106.18000000000001 111.48 179.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.1 mt -68.84 -31.44 70.41 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.081 0.771 . . . . 108.68000000000001 113.081 177.582 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -57.76 -61.8 2.26 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 108.274 -1.009 . . . . 115.01000000000001 108.274 170.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 36.5 mt -52.5 -50.45 62.73 Favored 'General case' 0 N--CA 1.437 -1.084 0 CA-C-N 115.716 -0.674 . . . . 74.549999999999997 112.792 -179.351 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 95.9 t -59.66 -42.34 88.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 C-N-CA 119.602 -0.839 . . . . 68.980000000000004 112.126 -178.587 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.454 ' O ' ' HE2' ' A' ' 64' ' ' LYS . . . -68.29 -33.55 78.15 Favored Glycine 0 N--CA 1.471 0.974 0 CA-C-O 122.35 0.972 . . . . 67.239999999999995 111.76 178.426 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -59.26 -45.26 91.67 Favored 'General case' 0 C--N 1.313 -1.001 0 O-C-N 121.597 -0.943 . . . . 98.480000000000004 109.757 173.182 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -75.84 -37.72 58.71 Favored 'General case' 0 CA--C 1.496 -1.096 0 N-CA-C 107.438 -1.319 . . . . 64.469999999999999 107.438 -171.528 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.586 ' HG2' ' N ' ' A' ' 65' ' ' ARG . 0.7 OUTLIER -44.6 -57.5 3.6 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 106.986 -1.487 . . . . 113.13 106.986 173.678 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.586 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 94.0 mtm-85 -67.19 -30.46 70.41 Favored 'General case' 0 CA--C 1.505 -0.755 0 C-N-CA 119.764 -0.774 . . . . 95.170000000000002 112.108 -169.498 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.4 mt -76.47 -42.34 44.09 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 109.328 -0.619 . . . . 52.780000000000001 109.328 -176.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 23.1 mt -60.08 -37.12 78.95 Favored 'General case' 0 C--O 1.252 1.236 0 O-C-N 123.798 0.686 . . . . 64.810000000000002 110.774 176.37 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.2 m -67.09 -44.22 80.57 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 115.239 -0.891 . . . . 72.280000000000001 110.74 179.174 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -71.48 -25.67 62.38 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 119.029 -1.068 . . . . 81.849999999999994 109.698 178.636 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.46 ' HG ' ' HB2' ' A' ' 78' ' ' TYR . 26.8 tp -74.14 -48.3 30.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.483 -0.761 . . . . 61.549999999999997 112.729 178.578 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -35.18 -49.04 0.47 Allowed 'General case' 0 N--CA 1.483 1.179 0 CA-C-O 122.311 1.053 . . . . 95.450000000000003 112.134 165.79 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -84.04 -45.34 13.19 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 113.299 -1.773 . . . . 105.7 110.32 -163.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -75.18 -43.93 49.44 Favored 'General case' 0 CA--C 1.562 1.408 0 CA-C-O 119.128 -0.463 . . . . 114.98999999999999 111.12 177.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -147.31 89.6 1.8 Allowed 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 113.954 1.094 . . . . 103.06 113.954 178.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -66.0 -32.89 74.63 Favored 'General case' 0 N--CA 1.421 -1.901 0 C-N-CA 119.386 -0.926 . . . . 60.789999999999999 113.183 -171.199 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -62.05 -58.99 5.77 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 108.589 -0.893 . . . . 77.459999999999994 108.589 -176.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.7 t -53.74 -41.67 67.33 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 115.002 -0.999 . . . . 79.0 112.165 176.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.46 ' HB2' ' HG ' ' A' ' 70' ' ' LEU . 26.3 t80 -55.34 -51.21 67.51 Favored 'General case' 0 C--O 1.204 -1.314 0 CA-C-N 115.518 -0.765 . . . . 62.530000000000001 112.39 175.89 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 84.3 p -67.32 -33.52 75.44 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 113.429 0.9 . . . . 74.239999999999995 113.429 178.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -64.6 -40.9 96.34 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.923 0.868 . . . . 108.47 110.952 173.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 27.9 tp -67.17 -44.3 80.03 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.058 0.762 . . . . 80.349999999999994 113.058 -177.623 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.3 pt -73.78 -18.81 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 119.074 -1.05 . . . . 74.319999999999993 111.859 -176.245 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.4 m -70.85 -53.58 14.67 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.075 -0.966 . . . . 95.420000000000002 111.016 170.775 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -61.02 -24.38 66.12 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 114.627 1.343 . . . . 96.989999999999995 114.627 177.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 83.8 mt -101.45 3.47 40.38 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.953 1.094 . . . . 74.390000000000001 113.953 177.661 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 52.2 55.33 9.34 Favored 'General case' 0 CA--C 1.508 -0.651 0 N-CA-C 108.832 -0.803 . . . . 99.739999999999995 108.832 178.479 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 37.2 mt . . . . . 0 N--CA 1.444 -0.761 0 O-C-N 124.013 0.82 . . . . 86.219999999999999 109.229 178.633 . . . . . . . . 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 stop_ save_