data_6l1f_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 6l1f _Structure_validation_residue.Date_analyzed 2020-09-25 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 ' 140' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.808 0.337 . . . . 68.8 111.191 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 20.8 p -126.81 167.88 15.19 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 108.882 -0.784 . . . . 55.5 108.882 175.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' MLZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 99.4 p -138.69 161.15 37.89 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.553 -0.906 . . . . 37.0 108.553 173.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -134.89 102.96 5.42 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.07 -1.455 . . . . 59.15 107.07 -175.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 O-C-N 123.473 0.483 . . . . 59.79 113.125 -176.775 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 61.2 m80 . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 120.928 0.394 . . . . 57.43 111.134 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 21.1 mtm -103.13 142.01 23.67 Favored Pre-proline 0 C--O 1.239 0.539 0 C-N-CA 117.489 -1.684 . . . . 52.62 111.47 179.205 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -67.46 157.28 62.49 Favored 'Trans proline' 0 C--O 1.239 0.57 0 C-N-CA 120.696 0.931 . . . . 31.29 110.583 -178.454 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -78.19 163.07 28.14 Favored 'Trans proline' 0 C--N 1.328 -0.539 0 CA-C-O 121.983 0.743 . . . . 35.17 110.756 178.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -92.68 123.35 35.9 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.287 -0.869 . . . . 48.14 109.131 172.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' ARG . . . . . 0.655 ' NH2' ' O ' ' B' ' 101' ' ' HOH . 52.8 mtp180 -134.52 138.21 29.5 Favored Pre-proline 0 C--O 1.237 0.439 0 N-CA-C 109.157 -0.683 . . . . 40.66 109.157 176.467 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -65.11 142.53 74.54 Favored 'Trans proline' 0 C--N 1.332 -0.308 0 CA-C-O 121.273 0.447 . . . . 31.95 111.381 -175.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.22 -4.49 58.61 Favored Glycine 0 C--O 1.245 0.816 0 N-CA-C 115.779 1.072 . . . . 29.12 115.779 178.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -126.11 140.19 49.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 118.729 1.264 . . . . 36.77 108.601 -177.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 47.8 m -121.35 125.5 47.14 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 108.887 -0.783 . . . . 28.09 108.887 167.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -90.34 81.22 6.06 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 122.588 1.185 . . . . 32.91 108.953 -176.751 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -147.97 158.68 44.17 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 114.779 -1.1 . . . . 38.89 108.492 176.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 21.0 mm -61.08 132.78 26.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 115.087 -0.961 . . . . 22.48 109.9 -175.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.62 -6.91 75.68 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-O 119.373 -0.682 . . . . 20.32 114.333 178.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.29 147.84 52.47 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 118.162 0.981 . . . . 20.95 109.995 177.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -107.06 145.71 32.06 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.407 -0.815 . . . . 43.33 110.697 -176.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -156.15 -175.77 5.61 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 107.068 -1.456 . . . . 27.0 107.068 179.189 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -107.23 137.98 44.27 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 108.139 -1.06 . . . . 48.21 108.139 169.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.28 142.16 45.84 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.109 0.48 . . . . 19.93 110.397 -174.275 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 16.5 tp -91.39 118.79 30.84 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.247 -0.888 . . . . 24.68 109.377 179.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 24.1 p-10 -78.59 178.01 8.14 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 119.202 -0.999 . . . . 22.38 110.202 177.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 14.4 p90 -72.3 -11.55 60.75 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 118.782 -1.167 . . . . 33.05 113.267 -174.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 83.7 mt -85.63 9.62 15.65 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 124.303 1.041 . . . . 32.73 112.536 168.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 58.12 41.27 24.14 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 123.234 0.614 . . . . 31.79 112.308 179.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -115.69 138.05 51.48 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 108.842 -0.799 . . . . 54.41 108.842 172.246 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -86.22 137.12 32.87 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 122.579 0.352 . . . . 25.39 110.538 -179.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -138.75 140.85 28.71 Favored Pre-proline 0 C--O 1.241 0.653 0 CA-C-N 116.297 -0.41 . . . . 27.48 110.775 175.034 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -57.56 133.4 56.47 Favored 'Trans proline' 0 C--N 1.327 -0.586 0 N-CA-C 107.85 -1.635 . . . . 23.96 107.85 165.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 53.2 m -142.12 170.59 15.43 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.619 -0.719 . . . . 20.42 109.617 -166.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 49.6 ttt-85 -137.27 139.73 41.14 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 114.941 -1.027 . . . . 50.45 108.231 -175.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 89.0 mt -79.73 117.99 26.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 N-CA-C 108.587 -0.894 . . . . 24.64 108.587 176.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -92.39 -42.76 9.6 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 112.787 0.662 . . . . 40.26 112.787 -177.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -149.33 148.29 29.34 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 107.522 -1.288 . . . . 51.06 107.522 -176.048 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 92.2 mt -123.59 126.4 72.91 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 N-CA-C 108.772 -0.825 . . . . 21.51 108.772 175.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -98.48 95.65 7.46 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 106.067 -1.827 . . . . 30.85 106.067 175.115 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -74.86 -13.54 60.57 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 112.554 0.575 . . . . 27.11 112.554 -176.74 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . . . -73.28 -47.98 38.42 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.192 -0.603 . . . . 34.56 110.915 173.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -88.28 -21.29 24.53 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 113.224 0.824 . . . . 64.95 113.224 -179.965 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.2 34.72 54.53 Favored Glycine 0 C--O 1.238 0.361 0 C-N-CA 120.647 -0.787 . . . . 23.94 113.545 -172.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 42.9 pttt -126.24 158.94 34.38 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 117.919 0.859 . . . . 44.47 108.94 174.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 36.2 mtm -132.09 146.11 51.84 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.446 -0.797 . . . . 28.49 110.051 -171.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 33.3 tp -85.4 116.31 23.64 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 107.867 -1.16 . . . . 19.92 107.867 174.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 45.5 t -107.49 130.72 59.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.353 -0.98 . . . . 24.09 108.353 -174.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -106.02 119.82 40.18 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.014 -0.735 . . . . 25.24 109.014 178.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -84.23 121.41 27.44 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 108.576 -0.898 . . . . 26.02 108.576 177.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -65.8 145.35 56.08 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 119.201 -1.0 . . . . 47.72 111.306 -166.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 66.7 15.5 10.14 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 125.287 1.435 . . . . 53.56 112.849 -178.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -111.28 154.83 23.92 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 124.183 0.993 . . . . 34.37 109.089 167.9 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 1.1 t -63.41 150.55 43.31 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 119.811 -0.756 . . . . 35.47 109.885 177.36 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 -65.49 -16.27 63.49 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 119.703 -0.799 . . . . 31.94 111.78 178.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 1.6 ptt-85 -66.55 -13.89 61.59 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 118.358 -1.337 . . . . 61.7 112.348 173.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -97.27 4.49 50.9 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 113.944 1.09 . . . . 57.3 113.944 173.926 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -58.19 149.83 23.01 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 119.12 0.873 . . . . 24.33 109.701 171.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -135.52 142.35 45.42 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.97 -0.559 . . . . 23.95 110.785 -174.722 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -86.34 124.22 32.46 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.627 -0.509 . . . . 29.49 109.627 174.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 84.1 mt -130.29 133.29 64.23 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 N-CA-C 108.479 -0.934 . . . . 21.26 108.479 -177.493 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -62.68 142.85 57.92 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 120.605 -0.438 . . . . 38.94 109.876 178.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -72.68 -10.05 59.33 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 118.342 -1.343 . . . . 25.14 113.083 -170.359 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' B' ' 61' ' ' ASP . 6.0 p-10 -101.67 12.9 36.37 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 119.001 0.819 . . . . 33.08 112.304 174.062 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 35.1 t -74.31 147.71 42.04 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 121.768 0.794 . . . . 22.95 112.048 -177.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -86.97 12.82 10.32 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.473 -0.785 . . . . 35.16 112.128 171.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -78.63 -2.0 36.93 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 111.894 0.331 . . . . 26.43 111.894 162.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 57.1 mt -115.38 136.8 52.72 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 123.822 0.849 . . . . 22.01 109.538 176.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -152.85 163.11 24.57 Favored Pre-proline 0 C--O 1.238 0.457 0 C-N-CA 119.363 -0.935 . . . . 22.06 109.021 177.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_exo -63.11 144.03 91.57 Favored 'Trans proline' 0 C--O 1.235 0.329 0 CA-C-O 121.605 0.586 . . . . 22.09 111.839 -173.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 58.0 tp -93.42 116.75 29.29 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 107.673 -1.232 . . . . 40.2 107.673 170.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 . . . . . 0 C--N 1.32 -0.704 0 C-N-CA 119.939 -0.704 . . . . 67.57 110.281 -175.21 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . 0.655 ' O ' ' NH2' ' B' ' 8' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.808 0.337 . . . . 68.8 111.191 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 20.8 p -126.81 167.88 15.19 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 108.882 -0.784 . . . . 55.5 108.882 175.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 142' ' ' MLZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 99.4 p -138.69 161.15 37.89 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.553 -0.906 . . . . 37.0 108.553 173.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -134.89 102.96 5.42 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.07 -1.455 . . . . 59.15 107.07 -175.114 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 O-C-N 123.473 0.483 . . . . 59.79 113.125 -176.775 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 61.2 m80 . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 120.928 0.394 . . . . 57.43 111.134 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 21.1 mtm -103.13 142.01 23.67 Favored Pre-proline 0 C--O 1.239 0.539 0 C-N-CA 117.489 -1.684 . . . . 52.62 111.47 179.205 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -67.46 157.28 62.49 Favored 'Trans proline' 0 C--O 1.239 0.57 0 C-N-CA 120.696 0.931 . . . . 31.29 110.583 -178.454 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -78.19 163.07 28.14 Favored 'Trans proline' 0 C--N 1.328 -0.539 0 CA-C-O 121.983 0.743 . . . . 35.17 110.756 178.289 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -92.68 123.35 35.9 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.287 -0.869 . . . . 48.14 109.131 172.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 -134.52 138.21 29.5 Favored Pre-proline 0 C--O 1.237 0.439 0 N-CA-C 109.157 -0.683 . . . . 40.66 109.157 176.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -65.11 142.53 74.54 Favored 'Trans proline' 0 C--N 1.332 -0.308 0 CA-C-O 121.273 0.447 . . . . 31.95 111.381 -175.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.22 -4.49 58.61 Favored Glycine 0 C--O 1.245 0.816 0 N-CA-C 115.779 1.072 . . . . 29.12 115.779 178.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -126.11 140.19 49.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 118.729 1.264 . . . . 36.77 108.601 -177.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 47.8 m -121.35 125.5 47.14 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 108.887 -0.783 . . . . 28.09 108.887 167.672 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -90.34 81.22 6.06 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 122.588 1.185 . . . . 32.91 108.953 -176.751 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -147.97 158.68 44.17 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 114.779 -1.1 . . . . 38.89 108.492 176.447 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 21.0 mm -61.08 132.78 26.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 115.087 -0.961 . . . . 22.48 109.9 -175.667 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.62 -6.91 75.68 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-O 119.373 -0.682 . . . . 20.32 114.333 178.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.29 147.84 52.47 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 118.162 0.981 . . . . 20.95 109.995 177.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -107.06 145.71 32.06 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.407 -0.815 . . . . 43.33 110.697 -176.507 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -156.15 -175.77 5.61 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 107.068 -1.456 . . . . 27.0 107.068 179.189 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -107.23 137.98 44.27 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 108.139 -1.06 . . . . 48.21 108.139 169.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.28 142.16 45.84 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.109 0.48 . . . . 19.93 110.397 -174.275 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 16.5 tp -91.39 118.79 30.84 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.247 -0.888 . . . . 24.68 109.377 179.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 24.1 p-10 -78.59 178.01 8.14 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 119.202 -0.999 . . . . 22.38 110.202 177.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 14.4 p90 -72.3 -11.55 60.75 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 118.782 -1.167 . . . . 33.05 113.267 -174.451 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 83.7 mt -85.63 9.62 15.65 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 124.303 1.041 . . . . 32.73 112.536 168.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 58.12 41.27 24.14 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 123.234 0.614 . . . . 31.79 112.308 179.757 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -115.69 138.05 51.48 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 108.842 -0.799 . . . . 54.41 108.842 172.246 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -86.22 137.12 32.87 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 122.579 0.352 . . . . 25.39 110.538 -179.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -138.75 140.85 28.71 Favored Pre-proline 0 C--O 1.241 0.653 0 CA-C-N 116.297 -0.41 . . . . 27.48 110.775 175.034 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -57.56 133.4 56.47 Favored 'Trans proline' 0 C--N 1.327 -0.586 0 N-CA-C 107.85 -1.635 . . . . 23.96 107.85 165.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 53.2 m -142.12 170.59 15.43 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.619 -0.719 . . . . 20.42 109.617 -166.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 49.6 ttt-85 -137.27 139.73 41.14 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 114.941 -1.027 . . . . 50.45 108.231 -175.34 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 89.0 mt -79.73 117.99 26.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 N-CA-C 108.587 -0.894 . . . . 24.64 108.587 176.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -92.39 -42.76 9.6 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 112.787 0.662 . . . . 40.26 112.787 -177.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -149.33 148.29 29.34 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 107.522 -1.288 . . . . 51.06 107.522 -176.048 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 92.2 mt -123.59 126.4 72.91 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 N-CA-C 108.772 -0.825 . . . . 21.51 108.772 175.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -98.48 95.65 7.46 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 106.067 -1.827 . . . . 30.85 106.067 175.115 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -74.86 -13.54 60.57 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 112.554 0.575 . . . . 27.11 112.554 -176.74 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . . . -73.28 -47.98 38.42 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.192 -0.603 . . . . 34.56 110.915 173.82 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' GLU . . . . . 0.4 ' HB2' ' HG2' ' B' ' 42' ' ' LYS . 10.1 mm-40 -88.28 -21.29 24.53 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 113.224 0.824 . . . . 64.95 113.224 -179.965 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.2 34.72 54.53 Favored Glycine 0 C--O 1.238 0.361 0 C-N-CA 120.647 -0.787 . . . . 23.94 113.545 -172.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' LYS . . . . . 0.4 ' HG2' ' HB2' ' B' ' 40' ' ' GLU . 42.9 pttt -126.24 158.94 34.38 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 117.919 0.859 . . . . 44.47 108.94 174.562 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 36.2 mtm -132.09 146.11 51.84 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.446 -0.797 . . . . 28.49 110.051 -171.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 33.3 tp -85.4 116.31 23.64 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 107.867 -1.16 . . . . 19.92 107.867 174.673 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 45.5 t -107.49 130.72 59.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.353 -0.98 . . . . 24.09 108.353 -174.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -106.02 119.82 40.18 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.014 -0.735 . . . . 25.24 109.014 178.915 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -84.23 121.41 27.44 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 108.576 -0.898 . . . . 26.02 108.576 177.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -65.8 145.35 56.08 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 119.201 -1.0 . . . . 47.72 111.306 -166.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 66.7 15.5 10.14 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 125.287 1.435 . . . . 53.56 112.849 -178.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -111.28 154.83 23.92 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 124.183 0.993 . . . . 34.37 109.089 167.9 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 1.1 t -63.41 150.55 43.31 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 119.811 -0.756 . . . . 35.47 109.885 177.36 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 -65.49 -16.27 63.49 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 119.703 -0.799 . . . . 31.94 111.78 178.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 1.6 ptt-85 -66.55 -13.89 61.59 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 118.358 -1.337 . . . . 61.7 112.348 173.198 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -97.27 4.49 50.9 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 113.944 1.09 . . . . 57.3 113.944 173.926 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -58.19 149.83 23.01 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 119.12 0.873 . . . . 24.33 109.701 171.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -135.52 142.35 45.42 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.97 -0.559 . . . . 23.95 110.785 -174.722 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -86.34 124.22 32.46 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.627 -0.509 . . . . 29.49 109.627 174.811 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 84.1 mt -130.29 133.29 64.23 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 N-CA-C 108.479 -0.934 . . . . 21.26 108.479 -177.493 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -62.68 142.85 57.92 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 120.605 -0.438 . . . . 38.94 109.876 178.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -72.68 -10.05 59.33 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 118.342 -1.343 . . . . 25.14 113.083 -170.359 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -101.67 12.9 36.37 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 119.001 0.819 . . . . 33.08 112.304 174.062 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 35.1 t -74.31 147.71 42.04 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 121.768 0.794 . . . . 22.95 112.048 -177.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -86.97 12.82 10.32 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.473 -0.785 . . . . 35.16 112.128 171.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -78.63 -2.0 36.93 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 111.894 0.331 . . . . 26.43 111.894 162.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 57.1 mt -115.38 136.8 52.72 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 123.822 0.849 . . . . 22.01 109.538 176.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -152.85 163.11 24.57 Favored Pre-proline 0 C--O 1.238 0.457 0 C-N-CA 119.363 -0.935 . . . . 22.06 109.021 177.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_exo -63.11 144.03 91.57 Favored 'Trans proline' 0 C--O 1.235 0.329 0 CA-C-O 121.605 0.586 . . . . 22.09 111.839 -173.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 58.0 tp -93.42 116.75 29.29 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 107.673 -1.232 . . . . 40.2 107.673 170.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 . . . . . 0 C--N 1.32 -0.704 0 C-N-CA 119.939 -0.704 . . . . 67.57 110.281 -175.21 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.808 0.337 . . . . 68.8 111.191 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 20.8 p -126.81 167.88 15.19 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 108.882 -0.784 . . . . 55.5 108.882 175.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' MLZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 99.4 p -138.69 161.15 37.89 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.553 -0.906 . . . . 37.0 108.553 173.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -134.89 102.96 5.42 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.07 -1.455 . . . . 59.15 107.07 -175.114 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 O-C-N 123.473 0.483 . . . . 59.79 113.125 -176.775 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 61.2 m80 . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 120.928 0.394 . . . . 57.43 111.134 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 21.1 mtm -103.13 142.01 23.67 Favored Pre-proline 0 C--O 1.239 0.539 0 C-N-CA 117.489 -1.684 . . . . 52.62 111.47 179.205 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -67.46 157.28 62.49 Favored 'Trans proline' 0 C--O 1.239 0.57 0 C-N-CA 120.696 0.931 . . . . 31.29 110.583 -178.454 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -78.19 163.07 28.14 Favored 'Trans proline' 0 C--N 1.328 -0.539 0 CA-C-O 121.983 0.743 . . . . 35.17 110.756 178.289 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -92.68 123.35 35.9 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.287 -0.869 . . . . 48.14 109.131 172.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 -134.52 138.21 29.5 Favored Pre-proline 0 C--O 1.237 0.439 0 N-CA-C 109.157 -0.683 . . . . 40.66 109.157 176.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -65.11 142.53 74.54 Favored 'Trans proline' 0 C--N 1.332 -0.308 0 CA-C-O 121.273 0.447 . . . . 31.95 111.381 -175.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.22 -4.49 58.61 Favored Glycine 0 C--O 1.245 0.816 0 N-CA-C 115.779 1.072 . . . . 29.12 115.779 178.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -126.11 140.19 49.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 118.729 1.264 . . . . 36.77 108.601 -177.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 47.8 m -121.35 125.5 47.14 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 108.887 -0.783 . . . . 28.09 108.887 167.672 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -90.34 81.22 6.06 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 122.588 1.185 . . . . 32.91 108.953 -176.751 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -147.97 158.68 44.17 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 114.779 -1.1 . . . . 38.89 108.492 176.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 21.0 mm -61.08 132.78 26.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 115.087 -0.961 . . . . 22.48 109.9 -175.667 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.62 -6.91 75.68 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-O 119.373 -0.682 . . . . 20.32 114.333 178.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.29 147.84 52.47 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 118.162 0.981 . . . . 20.95 109.995 177.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -107.06 145.71 32.06 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.407 -0.815 . . . . 43.33 110.697 -176.507 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -156.15 -175.77 5.61 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 107.068 -1.456 . . . . 27.0 107.068 179.189 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -107.23 137.98 44.27 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 108.139 -1.06 . . . . 48.21 108.139 169.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.28 142.16 45.84 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.109 0.48 . . . . 19.93 110.397 -174.275 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 16.5 tp -91.39 118.79 30.84 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.247 -0.888 . . . . 24.68 109.377 179.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 24.1 p-10 -78.59 178.01 8.14 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 119.202 -0.999 . . . . 22.38 110.202 177.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 14.4 p90 -72.3 -11.55 60.75 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 118.782 -1.167 . . . . 33.05 113.267 -174.451 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 83.7 mt -85.63 9.62 15.65 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 124.303 1.041 . . . . 32.73 112.536 168.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 58.12 41.27 24.14 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 123.234 0.614 . . . . 31.79 112.308 179.757 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -115.69 138.05 51.48 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 108.842 -0.799 . . . . 54.41 108.842 172.246 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -86.22 137.12 32.87 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 122.579 0.352 . . . . 25.39 110.538 -179.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -138.75 140.85 28.71 Favored Pre-proline 0 C--O 1.241 0.653 0 CA-C-N 116.297 -0.41 . . . . 27.48 110.775 175.034 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -57.56 133.4 56.47 Favored 'Trans proline' 0 C--N 1.327 -0.586 0 N-CA-C 107.85 -1.635 . . . . 23.96 107.85 165.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 53.2 m -142.12 170.59 15.43 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.619 -0.719 . . . . 20.42 109.617 -166.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 49.6 ttt-85 -137.27 139.73 41.14 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 114.941 -1.027 . . . . 50.45 108.231 -175.34 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 89.0 mt -79.73 117.99 26.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 N-CA-C 108.587 -0.894 . . . . 24.64 108.587 176.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -92.39 -42.76 9.6 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 112.787 0.662 . . . . 40.26 112.787 -177.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -149.33 148.29 29.34 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 107.522 -1.288 . . . . 51.06 107.522 -176.048 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 92.2 mt -123.59 126.4 72.91 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 N-CA-C 108.772 -0.825 . . . . 21.51 108.772 175.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -98.48 95.65 7.46 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 106.067 -1.827 . . . . 30.85 106.067 175.115 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -74.86 -13.54 60.57 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 112.554 0.575 . . . . 27.11 112.554 -176.74 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . . . -73.28 -47.98 38.42 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.192 -0.603 . . . . 34.56 110.915 173.82 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.4 ' HB2' ' HG2' ' B' ' 42' ' ' LYS . 10.1 mm-40 -88.28 -21.29 24.53 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 113.224 0.824 . . . . 64.95 113.224 -179.965 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.2 34.72 54.53 Favored Glycine 0 C--O 1.238 0.361 0 C-N-CA 120.647 -0.787 . . . . 23.94 113.545 -172.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' LYS . . . . . 0.4 ' HG2' ' HB2' ' B' ' 40' ' ' GLU . 42.9 pttt -126.24 158.94 34.38 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 117.919 0.859 . . . . 44.47 108.94 174.562 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 36.2 mtm -132.09 146.11 51.84 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.446 -0.797 . . . . 28.49 110.051 -171.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 33.3 tp -85.4 116.31 23.64 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 107.867 -1.16 . . . . 19.92 107.867 174.673 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 45.5 t -107.49 130.72 59.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.353 -0.98 . . . . 24.09 108.353 -174.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -106.02 119.82 40.18 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.014 -0.735 . . . . 25.24 109.014 178.915 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -84.23 121.41 27.44 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 108.576 -0.898 . . . . 26.02 108.576 177.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -65.8 145.35 56.08 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 119.201 -1.0 . . . . 47.72 111.306 -166.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 66.7 15.5 10.14 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 125.287 1.435 . . . . 53.56 112.849 -178.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -111.28 154.83 23.92 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 124.183 0.993 . . . . 34.37 109.089 167.9 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 1.1 t -63.41 150.55 43.31 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 119.811 -0.756 . . . . 35.47 109.885 177.36 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 -65.49 -16.27 63.49 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 119.703 -0.799 . . . . 31.94 111.78 178.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 1.6 ptt-85 -66.55 -13.89 61.59 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 118.358 -1.337 . . . . 61.7 112.348 173.198 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -97.27 4.49 50.9 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 113.944 1.09 . . . . 57.3 113.944 173.926 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -58.19 149.83 23.01 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 119.12 0.873 . . . . 24.33 109.701 171.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -135.52 142.35 45.42 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.97 -0.559 . . . . 23.95 110.785 -174.722 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -86.34 124.22 32.46 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.627 -0.509 . . . . 29.49 109.627 174.811 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 84.1 mt -130.29 133.29 64.23 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 N-CA-C 108.479 -0.934 . . . . 21.26 108.479 -177.493 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -62.68 142.85 57.92 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 120.605 -0.438 . . . . 38.94 109.876 178.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -72.68 -10.05 59.33 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 118.342 -1.343 . . . . 25.14 113.083 -170.359 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -101.67 12.9 36.37 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 119.001 0.819 . . . . 33.08 112.304 174.062 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 35.1 t -74.31 147.71 42.04 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 121.768 0.794 . . . . 22.95 112.048 -177.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -86.97 12.82 10.32 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.473 -0.785 . . . . 35.16 112.128 171.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -78.63 -2.0 36.93 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 111.894 0.331 . . . . 26.43 111.894 162.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 57.1 mt -115.38 136.8 52.72 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 123.822 0.849 . . . . 22.01 109.538 176.809 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -152.85 163.11 24.57 Favored Pre-proline 0 C--O 1.238 0.457 0 C-N-CA 119.363 -0.935 . . . . 22.06 109.021 177.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_exo -63.11 144.03 91.57 Favored 'Trans proline' 0 C--O 1.235 0.329 0 CA-C-O 121.605 0.586 . . . . 22.09 111.839 -173.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 58.0 tp -93.42 116.75 29.29 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 107.673 -1.232 . . . . 40.2 107.673 170.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 . . . . . 0 C--N 1.32 -0.704 0 C-N-CA 119.939 -0.704 . . . . 67.57 110.281 -175.21 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_