data_1pkv_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 1pkv _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 ' 1' ' ' MET . . . . . 0.548 ' CG ' ' O ' ' A' ' 118' ' ' HOH . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.682 0 N-CA-C 109.77 -0.455 . . . . 69.05 109.77 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -123.67 141.77 51.7 Favored 'General case' 0 C--O 1.256 1.431 0 C-N-CA 122.867 0.467 . . . . 43.31 112.065 -172.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.3 p -87.85 -21.52 24.97 Favored 'General case' 0 CA--C 1.558 1.273 0 N-CA-C 113.723 1.009 . . . . 38.28 113.723 176.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.82 2.6 90.66 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 119.773 -1.203 . . . . 35.55 114.133 -168.058 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.6 mt -88.61 98.47 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.534 0 N-CA-C 107.201 -1.407 . . . . 36.63 107.201 169.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.41 139.8 20.76 Favored 'Isoleucine or valine' 0 C--O 1.254 1.317 0 N-CA-C 106.456 -1.683 . . . . 35.46 106.456 -179.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -97.21 -11.22 24.48 Favored 'General case' 0 CA--C 1.497 -1.073 0 N-CA-C 112.581 0.586 . . . . 51.92 112.581 179.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 162.65 -171.65 38.52 Favored Glycine 0 CA--C 1.49 -1.521 0 N-CA-C 108.361 -1.896 . . . . 36.94 108.361 172.112 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 66.6 p -111.69 154.87 24.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.223 0.535 . . . . 36.8 111.09 174.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -133.34 140.45 47.41 Favored 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 106.755 -1.572 . . . . 34.96 106.755 179.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.1 tttm -83.32 132.81 35.0 Favored 'General case' 0 CA--C 1.509 -0.597 0 C-N-CA 123.268 0.627 . . . . 69.91 110.855 178.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.72 107.8 6.19 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 108.61 -0.885 . . . . 34.78 108.61 171.25 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.5 m -98.99 -2.22 9.86 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.924 0 C-N-CA 118.643 -1.223 . . . . 41.45 111.625 -176.163 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.4 t -173.04 136.77 0.67 Allowed 'General case' 0 CA--C 1.511 -0.545 0 C-N-CA 119.409 -0.917 . . . . 42.5 110.953 -172.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.3 mt -128.23 107.88 16.83 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.152 0 C-N-CA 126.034 1.734 . . . . 44.59 110.784 171.408 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.38 112.89 24.53 Favored 'General case' 0 C--O 1.211 -0.964 0 CA-C-O 118.623 -0.703 . . . . 63.49 110.245 172.298 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -74.49 115.13 13.69 Favored 'General case' 0 C--O 1.194 -1.858 0 N-CA-C 107.911 -1.144 . . . . 71.19 107.911 166.164 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -108.36 179.01 0.93 Allowed Pre-proline 0 N--CA 1.475 0.778 0 N-CA-C 107.306 -1.368 . . . . 57.43 107.306 170.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -61.03 -48.44 10.3 Favored 'Trans proline' 0 CA--C 1.564 1.994 0 CA-C-O 117.263 -1.224 . . . . 56.76 113.373 -171.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -105.91 2.73 27.82 Favored 'General case' 0 CA--C 1.563 1.456 0 N-CA-C 121.322 3.823 . . . . 62.15 121.322 178.038 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -160.98 -177.2 5.96 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.801 -0.562 . . . . 56.21 111.26 -177.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ARG . . . . . 0.495 ' NH1' ' O ' ' A' ' 109' ' ' HOH . 0.0 OUTLIER -130.2 140.4 50.74 Favored 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 107.59 -1.263 . . . . 54.25 107.59 -179.608 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 29.5 m -100.98 133.46 45.43 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.926 -1.138 . . . . 40.29 107.926 170.634 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 18.9 m170 -109.0 127.81 54.41 Favored 'General case' 0 C--O 1.244 0.791 0 N-CA-C 106.875 -1.528 . . . . 34.24 106.875 172.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 86.3 t -103.22 124.69 57.53 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 N-CA-C 108.961 -0.755 . . . . 32.02 108.961 170.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 31.9 m -119.24 150.03 21.69 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.43 0 C-N-CA 119.71 -0.796 . . . . 32.87 109.796 178.155 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -93.31 103.14 15.4 Favored 'General case' 0 C--O 1.2 -1.51 0 CA-C-N 114.808 -1.087 . . . . 57.44 108.583 175.006 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.8 mt -78.62 147.14 70.82 Favored Pre-proline 0 C--O 1.242 0.699 0 CA-C-N 118.341 0.519 . . . . 42.93 111.995 -178.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_exo -54.46 140.03 74.5 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 122.398 2.065 . . . . 44.65 112.429 167.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -49.25 -41.53 37.88 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 114.919 1.451 . . . . 63.86 114.919 179.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 29.1 p-80 -66.13 -4.79 8.16 Favored 'General case' 0 C--O 1.269 2.125 0 N-CA-C 115.177 1.547 . . . . 50.02 115.177 -178.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 87.8 mtp -102.84 -12.9 17.23 Favored 'General case' 0 C--O 1.245 0.859 0 N-CA-C 114.148 1.166 . . . . 49.12 114.148 178.455 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.8 mt -77.72 -12.56 59.98 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 114.778 1.399 . . . . 53.16 114.778 -178.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.73 105.44 6.76 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 114.647 1.351 . . . . 64.46 114.647 -173.882 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.63 2.34 70.04 Favored Glycine 0 C--O 1.257 1.564 0 C-N-CA 120.049 -1.072 . . . . 49.44 111.526 177.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.2 tp -70.35 118.89 13.74 Favored 'General case' 0 CA--C 1.559 1.29 0 N-CA-C 112.858 0.688 . . . . 46.59 112.858 174.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -124.41 155.51 38.71 Favored 'General case' 0 C--O 1.264 1.835 0 N-CA-C 107.889 -1.152 . . . . 84.52 107.889 -177.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.62 139.95 55.17 Favored 'General case' 0 N--CA 1.428 -1.567 0 C-N-CA 118.994 -1.082 . . . . 44.83 111.534 174.662 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 100.05 -18.96 54.95 Favored Glycine 0 C--O 1.22 -0.773 0 O-C-N 121.949 -0.47 . . . . 37.01 113.146 -171.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.42 145.9 53.69 Favored 'General case' 0 CA--C 1.569 1.706 0 CA-C-O 122.399 1.095 . . . . 32.16 112.697 176.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.0 m -90.79 124.71 35.35 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 114.539 -1.21 . . . . 30.79 110.046 -179.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.2 t -125.67 132.79 70.43 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.939 0 N-CA-C 105.265 -2.124 . . . . 28.84 105.265 171.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.64 126.48 37.74 Favored 'General case' 0 CA--C 1.492 -1.277 0 N-CA-C 107.668 -1.234 . . . . 28.03 107.668 177.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -101.95 114.56 28.76 Favored 'General case' 0 C--O 1.253 1.283 0 O-C-N 124.941 1.4 . . . . 36.99 109.589 177.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 53.2 m-20 48.47 37.82 9.7 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 119.835 -0.746 . . . . 30.66 111.165 -172.017 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 88.93 -4.75 84.89 Favored Glycine 0 C--N 1.344 1.02 0 CA-C-O 119.598 -0.556 . . . . 28.09 113.076 175.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 12.5 t -98.97 119.1 37.19 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 121.655 0.741 . . . . 31.02 110.954 179.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 15.4 t -66.01 121.68 15.67 Favored 'General case' 0 N--CA 1.435 -1.187 0 CA-C-N 115.291 -0.868 . . . . 30.53 111.408 -179.39 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.1 mt -129.96 150.75 51.11 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 122.979 0.512 . . . . 26.95 111.501 177.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 55.5 m -98.47 129.17 45.07 Favored 'General case' 0 C--O 1.267 1.985 0 O-C-N 120.745 -1.222 . . . . 29.2 113.884 -178.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 94.9 t -60.36 118.04 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 C-N-CA 119.309 -0.957 . . . . 31.31 111.821 177.411 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 34.4 p -101.24 -19.14 15.81 Favored 'General case' 0 C--O 1.212 -0.908 0 O-C-N 121.829 -0.545 . . . . 38.24 112.003 178.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -163.29 145.37 9.89 Favored 'General case' 0 C--O 1.209 -1.076 0 N-CA-C 113.405 0.891 . . . . 69.3 113.405 -178.001 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.4 mt -132.07 114.78 24.91 Favored 'Isoleucine or valine' 0 C--O 1.257 1.491 0 O-C-N 123.742 0.651 . . . . 44.2 109.848 176.605 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -115.67 94.58 4.75 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.442 1.497 . . . . 75.44 108.289 167.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.77 -115.41 5.25 Favored Glycine 0 N--CA 1.438 -1.232 0 N-CA-C 106.458 -2.657 . . . . 46.91 106.458 176.506 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -111.6 10.68 21.17 Favored 'General case' 0 C--O 1.26 1.653 0 N-CA-C 108.781 -0.822 . . . . 56.39 108.781 -177.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -96.06 111.82 23.73 Favored 'General case' 0 C--N 1.347 0.481 0 CA-C-N 114.867 -1.06 . . . . 41.64 110.131 175.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 10.9 t -116.22 129.18 73.06 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-O 121.774 0.797 . . . . 35.33 110.511 -172.456 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 74.9 m -102.26 143.55 31.9 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-N 115.217 -0.901 . . . . 34.84 112.699 -175.059 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -139.79 146.88 40.0 Favored 'General case' 0 C--O 1.252 1.224 0 O-C-N 125.828 1.955 . . . . 32.34 109.847 176.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -106.94 126.82 52.81 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 120.015 -0.674 . . . . 38.98 109.802 177.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.5 mp -109.3 117.84 35.11 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 123.975 0.797 . . . . 35.38 111.222 -175.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' MET . . . . . 0.844 ' CB ' ' O ' ' A' ' 119' ' ' HOH . 33.1 mmt -72.51 162.36 29.58 Favored 'General case' 0 C--N 1.314 -0.951 0 O-C-N 121.219 -0.925 . . . . 54.78 109.689 176.907 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.26 -41.78 72.65 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 115.42 1.637 . . . . 91.12 115.42 173.16 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.329 0.5 OUTLIER -61.84 -43.13 99.46 Favored 'General case' 0 CA--C 1.561 1.39 0 C-N-CA 118.255 -1.378 . . . . 72.84 114.017 177.372 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 18.6 m -56.52 -43.57 79.93 Favored 'General case' 0 C--O 1.218 -0.576 0 O-C-N 121.49 -0.756 . . . . 39.52 111.086 174.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.7 mt -63.39 -36.98 85.53 Favored 'General case' 0 C--O 1.244 0.769 0 N-CA-C 114.569 1.322 . . . . 39.05 114.569 178.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -76.8 -44.87 30.93 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 116.768 -1.587 . . . . 95.84 112.494 178.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 96.6 mt -68.61 -29.74 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 CA-C-N 120.119 1.327 . . . . 38.23 112.722 -178.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.7 p -115.98 175.6 5.47 Favored 'General case' 0 C--N 1.312 -1.025 0 O-C-N 120.636 -1.29 . . . . 34.0 110.491 -171.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 42.5 p30 -81.59 3.17 26.12 Favored 'General case' 0 C--O 1.205 -1.282 0 N-CA-C 114.789 1.403 . . . . 33.37 114.789 176.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 66.5 mt -69.54 -23.94 63.65 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 120.84 -0.344 . . . . 37.07 110.426 -175.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.67 -29.7 67.56 Favored Glycine 0 C--O 1.213 -1.167 0 N-CA-C 115.645 1.018 . . . . 42.48 115.645 170.429 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -91.59 -2.75 57.0 Favored 'General case' 0 C--O 1.209 -1.029 0 N-CA-C 117.075 2.25 . . . . 56.95 117.075 178.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 44.2 mt -62.28 152.5 33.45 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 117.715 -1.594 . . . . 42.35 112.699 175.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.5 pttt -124.81 152.09 44.36 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 106.971 -1.492 . . . . 100.0 106.971 171.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.0 t -44.75 132.83 1.75 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 C-N-CA 123.696 0.798 . . . . 42.04 110.209 171.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 93.94 -7.82 73.36 Favored Glycine 0 CA--C 1.538 1.493 0 N-CA-C 116.593 1.397 . . . . 39.24 116.593 -174.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -78.18 158.24 29.1 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.979 0.895 . . . . 42.08 111.032 172.438 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -108.81 131.06 55.34 Favored 'General case' 0 N--CA 1.438 -1.069 0 CA-C-N 114.211 -1.359 . . . . 43.84 108.529 -179.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.3 m -111.59 135.3 51.24 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.629 0 N-CA-C 109.527 -0.545 . . . . 33.99 109.527 175.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -52.06 137.34 27.65 Favored 'General case' 0 CA--C 1.565 1.55 0 N-CA-C 110.074 -0.343 . . . . 29.72 110.074 161.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.7 m -133.91 143.65 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 C-N-CA 123.565 0.746 . . . . 29.93 109.497 179.191 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -149.67 122.29 8.59 Favored 'General case' 0 C--O 1.2 -1.519 0 N-CA-C 104.959 -2.237 . . . . 44.89 104.959 177.081 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ARG . . . . . 0.444 ' NH2' ' O ' ' A' ' 116' ' ' HOH . 38.4 mtp180 -74.34 159.59 32.19 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 120.444 1.475 . . . . 51.48 111.376 167.515 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.28 2.665 1 CA-C-O 109.232 -5.175 . . . . 37.76 114.683 173.543 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.501 2.075 0 N-CA-C 115.209 1.559 . . . . 75.94 115.209 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -113.21 148.04 36.27 Favored 'General case' 0 C--O 1.246 0.901 0 CA-C-O 121.715 0.769 . . . . 44.12 110.691 172.244 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 31.2 p -93.48 -19.81 20.89 Favored 'General case' 0 C--O 1.246 0.91 0 CA-C-N 114.566 -1.197 . . . . 37.93 113.015 179.926 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.76 6.54 78.13 Favored Glycine 0 C--N 1.344 0.996 0 N-CA-C 115.277 0.871 . . . . 36.15 115.277 -171.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 6.2 mt -84.17 97.12 4.79 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 CA-C-O 122.445 1.117 . . . . 36.99 108.232 162.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 88.0 t -60.31 129.95 23.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 113.911 -1.495 . . . . 35.11 110.598 178.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -89.0 -21.95 23.25 Favored 'General case' 0 C--O 1.216 -0.707 0 C-N-CA 119.682 -0.807 . . . . 52.8 111.71 -176.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 169.64 -171.44 43.25 Favored Glycine 0 N--CA 1.44 -1.073 0 N-CA-C 110.205 -1.158 . . . . 37.34 110.205 171.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 73.5 p -106.78 155.9 19.22 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.973 0.731 . . . . 37.57 112.973 175.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.42 134.08 41.22 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 107.012 -1.477 . . . . 34.84 107.012 -178.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -74.38 129.74 38.34 Favored 'General case' 0 C--O 1.252 1.226 0 CA-C-N 115.754 -0.657 . . . . 55.6 111.253 177.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.22 112.91 9.71 Favored 'General case' 0 C--O 1.264 1.824 0 N-CA-C 107.963 -1.125 . . . . 35.01 107.963 170.332 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 10.5 m -100.65 -12.6 8.47 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.696 0 C-N-CA 118.088 -1.445 . . . . 41.9 112.258 -171.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 21.5 t -167.86 139.26 2.93 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 123.396 0.678 . . . . 42.41 111.433 -170.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 78.1 mt -130.8 122.13 51.64 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.841 0 N-CA-C 105.262 -2.125 . . . . 44.89 105.262 176.026 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -119.11 100.17 7.17 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 105.904 -1.887 . . . . 62.33 105.904 -177.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.23 131.31 41.82 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.173 0.805 . . . . 75.5 113.173 175.794 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' LYS . . . . . 0.609 ' CB ' ' CD ' ' B' ' 19' ' ' PRO . 26.4 mttt -129.73 -159.43 0.04 OUTLIER Pre-proline 0 CA--C 1.585 2.317 0 C-N-CA 123.156 0.582 . . . . 73.57 111.712 171.594 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' PRO . . . . . 0.609 ' CD ' ' CB ' ' B' ' 18' ' ' LYS . 12.4 Cg_endo -48.39 -38.68 35.0 Favored 'Trans proline' 0 C--N 1.362 1.252 0 C-N-CA 123.183 2.588 . . . . 68.79 116.673 172.359 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -150.22 -20.2 0.25 Allowed 'General case' 1 C--N 0.937 -17.369 2 C-N-CA 84.613 -14.835 . . . . 100.0 110.72 -175.65 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -114.47 176.22 5.14 Favored 'General case' 1 C--N 1.205 -5.691 3 O-C-N 139.889 10.743 . . . . 56.08 114.62 -179.49 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.76 130.0 23.63 Favored 'General case' 0 C--O 1.207 -1.18 0 N-CA-C 107.358 -1.349 . . . . 66.23 107.358 -172.394 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 38.2 m -94.95 131.43 40.89 Favored 'General case' 0 CA--C 1.494 -1.196 0 N-CA-C 109.39 -0.596 . . . . 40.31 109.39 177.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -111.48 131.1 55.47 Favored 'General case' 0 CA--C 1.503 -0.864 0 N-CA-C 106.716 -1.587 . . . . 34.79 106.716 174.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 75.2 t -110.4 126.75 67.69 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.234 0 N-CA-C 105.731 -1.951 . . . . 31.7 105.731 174.12 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 31.0 m -122.34 149.31 25.78 Favored 'Isoleucine or valine' 0 C--N 1.343 0.293 0 O-C-N 124.396 1.06 . . . . 32.42 109.713 -179.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -94.25 100.94 12.91 Favored 'General case' 0 N--CA 1.437 -1.091 0 O-C-N 124.539 1.149 . . . . 56.79 108.446 176.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 4.0 mt -74.3 140.37 76.13 Favored Pre-proline 0 N--CA 1.472 0.631 0 N-CA-C 113.019 0.748 . . . . 42.01 113.019 178.027 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -54.91 144.2 68.53 Favored 'Trans proline' 0 N--CA 1.492 1.412 0 C-N-CA 121.694 1.596 . . . . 44.25 111.462 169.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -47.93 -47.24 32.47 Favored 'General case' 0 C--O 1.243 0.749 0 N-CA-C 114.907 1.447 . . . . 64.01 114.907 179.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 41.0 p-80 -61.62 -4.51 1.43 Allowed 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 117.471 2.397 . . . . 49.64 117.471 179.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 94.0 mtp -102.36 -14.75 16.79 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 115.296 1.591 . . . . 48.82 115.296 177.641 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.79 -20.5 62.59 Favored 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 116.838 2.162 . . . . 49.97 116.838 176.596 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -75.07 113.67 12.68 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.559 1.072 . . . . 100.0 112.472 -172.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.79 5.84 80.7 Favored Glycine 0 CA--C 1.506 -0.476 0 CA-C-O 119.419 -0.656 . . . . 49.5 112.178 178.349 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 28.2 tp -77.93 127.62 32.65 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-O 119.075 -0.488 . . . . 45.92 110.285 -179.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -130.91 152.53 50.13 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 124.145 0.903 . . . . 77.34 108.803 -170.496 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 18.8 p -63.38 142.51 58.36 Favored 'General case' 0 CA--C 1.559 1.319 0 C-N-CA 118.858 -1.137 . . . . 44.66 110.578 175.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 94.01 -18.97 55.65 Favored Glycine 0 C--O 1.218 -0.881 0 CA-C-O 118.08 -1.4 . . . . 37.78 113.601 -168.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.51 150.84 42.93 Favored 'General case' 0 CA--C 1.555 1.164 0 CA-C-N 118.487 1.144 . . . . 32.27 111.626 173.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 40.2 m -100.28 132.45 45.65 Favored 'General case' 0 C--O 1.211 -0.95 0 C-N-CA 123.998 0.919 . . . . 31.18 112.488 179.594 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 75.5 t -134.74 139.77 46.9 Favored 'Isoleucine or valine' 0 C--O 1.265 1.91 0 N-CA-C 103.402 -2.814 . . . . 28.85 103.402 175.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.63 129.57 39.86 Favored 'General case' 0 N--CA 1.418 -2.037 0 N-CA-C 105.971 -1.863 . . . . 28.61 105.971 179.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . 0.319 10.5 m-70 -111.31 111.76 23.04 Favored 'General case' 0 CA--C 1.473 -1.988 0 N-CA-C 104.682 -2.34 . . . . 37.38 104.682 -179.558 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 52.18 35.87 17.77 Favored 'General case' 0 N--CA 1.434 -1.232 0 C-N-CA 118.515 -1.274 . . . . 30.26 110.503 -174.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 90.31 -3.37 82.04 Favored Glycine 0 C--O 1.216 -0.97 0 N-CA-C 110.718 -0.953 . . . . 28.59 110.718 172.173 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' CYS . . . . . . . . . . . . . 31.9 t -102.0 116.87 33.63 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 121.096 -1.238 . . . . 32.41 109.943 -178.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 46.5 t -67.77 124.8 24.32 Favored 'General case' 0 N--CA 1.434 -1.238 0 C-N-CA 123.285 0.634 . . . . 29.96 109.798 -179.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 89.9 mt -130.92 154.57 47.97 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.513 -0.921 . . . . 27.24 108.513 177.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 49.1 m -97.6 126.37 42.87 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 113.24 0.83 . . . . 30.02 113.24 179.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 81.0 t -56.83 117.27 1.27 Allowed 'Isoleucine or valine' 0 C--O 1.261 1.709 0 CA-C-N 117.94 0.336 . . . . 31.61 111.164 175.405 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 36.7 p -98.51 -25.51 14.74 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 118.422 -1.311 . . . . 38.95 112.187 176.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' GLU . . . . . 0.434 ' OE2' ' ND2' ' B' ' 55' ' ' ASN . 26.0 tt0 -157.48 142.57 16.92 Favored 'General case' 0 C--O 1.204 -1.297 0 N-CA-C 113.823 1.046 . . . . 69.27 113.823 -176.834 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 3.2 mt -126.29 118.27 50.86 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.323 0 O-C-N 124.057 0.848 . . . . 43.77 113.227 175.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' ASN . . . . . 0.434 ' ND2' ' OE2' ' B' ' 53' ' ' GLU . 65.3 m-80 -130.67 102.21 6.01 Favored 'General case' 0 N--CA 1.423 -1.815 0 CA-C-O 122.782 1.277 . . . . 44.54 108.258 174.883 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 61.13 -127.86 43.41 Favored Glycine 0 N--CA 1.433 -1.536 0 N-CA-C 107.387 -2.285 . . . . 46.45 107.387 -173.692 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -81.3 -7.07 59.51 Favored 'General case' 0 N--CA 1.428 -1.572 0 C-N-CA 125.926 1.69 . . . . 57.49 112.075 179.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 16.4 m170 -95.63 111.88 23.72 Favored 'General case' 0 C--O 1.252 1.231 0 CA-C-O 123.099 1.428 . . . . 41.47 110.068 -169.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 13.7 t -112.04 127.04 69.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 114.407 -1.27 . . . . 35.49 110.449 -174.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 62.4 m -98.34 146.09 26.04 Favored 'General case' 0 C--O 1.256 1.443 0 N-CA-C 112.787 0.662 . . . . 35.08 112.787 -176.124 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -136.6 146.72 46.39 Favored 'General case' 0 C--O 1.248 1.004 0 C-N-CA 123.992 0.917 . . . . 32.57 109.352 173.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -104.38 123.86 48.18 Favored 'General case' 0 C--O 1.261 1.672 0 C-N-CA 120.114 -0.634 . . . . 39.09 110.748 172.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 7.4 mp -105.38 112.65 25.83 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-N 116.397 -0.365 . . . . 35.02 111.336 -173.759 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' MET . . . . . . . . . . . . . 11.0 mmt -74.99 164.3 26.7 Favored 'General case' 0 C--O 1.212 -0.92 0 N-CA-C 114.334 1.235 . . . . 37.86 114.334 -176.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -53.73 -43.31 68.98 Favored 'General case' 0 CA--C 1.57 1.728 0 N-CA-C 114.054 1.131 . . . . 91.12 114.054 -175.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' GLU . . . . . 0.918 ' OE2' ' NH1' ' B' ' 69' ' ' ARG . 0.0 OUTLIER -65.94 -41.42 91.34 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.755 0.822 . . . . 57.49 112.341 -178.519 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 6.5 m -60.48 -45.5 93.52 Favored 'General case' 0 C--O 1.254 1.316 0 O-C-N 124.974 1.422 . . . . 39.26 109.176 174.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 13.8 mt -63.57 -39.62 94.87 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 113.254 0.835 . . . . 39.44 113.254 178.331 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' ARG . . . . . 0.918 ' NH1' ' OE2' ' B' ' 66' ' ' GLU . 0.1 OUTLIER -63.92 -47.08 81.95 Favored 'General case' 0 C--O 1.192 -1.96 0 N-CA-C 115.037 1.495 . . . . 71.05 115.037 173.76 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 59.0 mt -79.07 -33.58 15.99 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 O-C-N 120.282 -1.512 . . . . 38.11 113.402 -173.9 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 16.4 p -101.89 179.3 4.37 Favored 'General case' 0 C--O 1.198 -1.637 0 N-CA-C 112.79 0.663 . . . . 34.31 112.79 -173.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 52.3 p30 -89.28 3.67 51.33 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.279 0.631 . . . . 33.87 111.673 173.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 79.3 mt -68.79 -21.5 64.32 Favored 'General case' 0 C--O 1.208 -1.079 0 CA-C-N 118.778 0.717 . . . . 36.98 112.828 -176.145 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -64.21 -29.84 76.12 Favored Glycine 0 C--O 1.191 -2.541 0 O-C-N 121.158 -0.964 . . . . 42.68 112.808 172.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -87.59 -5.66 58.64 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 119.318 1.559 . . . . 56.95 114.028 -177.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 86.5 mt -65.26 150.81 47.6 Favored 'General case' 0 C--O 1.256 1.412 0 C-N-CA 119.394 -0.922 . . . . 42.84 109.512 -177.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -121.58 156.77 32.21 Favored 'General case' 0 C--O 1.253 1.283 0 N-CA-C 107.927 -1.138 . . . . 100.0 107.927 173.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 57.3 t -53.97 133.08 17.0 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.209 0 N-CA-C 109.529 -0.545 . . . . 42.34 109.529 174.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 98.83 -11.61 62.57 Favored Glycine 0 CA--C 1.528 0.844 0 N-CA-C 117.323 1.689 . . . . 39.2 117.323 -174.296 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -76.68 151.88 35.96 Favored 'General case' 0 CA--C 1.496 -1.128 0 CA-C-N 118.312 1.056 . . . . 42.66 110.46 176.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' TRP . . . . . . . . . . . . . 81.2 m95 -102.87 134.36 46.41 Favored 'General case' 0 C--N 1.308 -1.239 0 C-N-CA 119.644 -0.822 . . . . 44.43 111.451 175.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 4.0 m -114.04 139.98 36.98 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.633 0 O-C-N 124.314 1.009 . . . . 34.61 109.696 -179.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -63.28 136.25 57.57 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 108.477 -0.934 . . . . 29.84 108.477 168.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 7.9 m -130.02 143.17 41.85 Favored 'Isoleucine or valine' 0 C--O 1.251 1.183 0 C-N-CA 120.794 -0.363 . . . . 29.51 110.75 176.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -149.4 127.6 12.07 Favored 'General case' 0 CA--C 1.501 -0.94 0 N-CA-C 105.692 -1.966 . . . . 44.45 105.692 178.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -81.18 148.44 29.54 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-N 118.453 0.57 . . . . 51.18 112.3 171.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.562 1.406 0 CA-C-O 117.124 -1.417 . . . . 38.17 114.198 166.697 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' RBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' RBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . 0.495 ' O ' ' NH1' ' A' ' 22' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . 0.444 ' O ' ' NH2' ' A' ' 86' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . 0.548 ' O ' ' CG ' ' A' ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . 0.844 ' O ' ' CB ' ' A' ' 64' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 build full ' A' A ' 1' ' ' MET . . . . . 0.793 ' HG2' ' O ' ' A' ' 118' ' ' HOH . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.682 0 N-CA-C 109.77 -0.455 . . . . 69.049999999999997 109.77 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -123.67 141.77 51.7 Favored 'General case' 0 C--O 1.256 1.431 0 C-N-CA 122.867 0.467 . . . . 43.310000000000002 112.065 -172.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.3 p -87.85 -21.52 24.97 Favored 'General case' 0 CA--C 1.558 1.273 0 N-CA-C 113.723 1.009 . . . . 38.280000000000001 113.723 176.784 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLY . . . . . 0.481 ' HA3' ' HB2' ' B' ' 48' ' ' CYS . . . 82.82 2.6 90.66 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 119.773 -1.203 . . . . 35.549999999999997 114.133 -168.058 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ILE . . . . . 0.417 HD11 HC81 ' B' ' 101' ' ' RBF . 3.6 mt -88.61 98.47 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.534 0 N-CA-C 107.201 -1.407 . . . . 36.630000000000003 107.201 169.649 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.41 139.8 20.76 Favored 'Isoleucine or valine' 0 C--O 1.254 1.317 0 N-CA-C 106.456 -1.683 . . . . 35.460000000000001 106.456 -179.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -97.21 -11.22 24.48 Favored 'General case' 0 CA--C 1.497 -1.073 0 N-CA-C 112.581 0.586 . . . . 51.920000000000002 112.581 179.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 162.65 -171.65 38.52 Favored Glycine 0 CA--C 1.49 -1.521 0 N-CA-C 108.361 -1.896 . . . . 36.939999999999998 108.361 172.112 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 66.6 p -111.69 154.87 24.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.223 0.535 . . . . 36.799999999999997 111.09 174.413 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -133.34 140.45 47.41 Favored 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 106.755 -1.572 . . . . 34.960000000000001 106.755 179.471 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.1 tttm -83.32 132.81 35.0 Favored 'General case' 0 CA--C 1.509 -0.597 0 C-N-CA 123.268 0.627 . . . . 69.909999999999997 110.855 178.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.72 107.8 6.19 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 108.61 -0.885 . . . . 34.780000000000001 108.61 171.25 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.5 m -98.99 -2.22 9.86 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.924 0 C-N-CA 118.643 -1.223 . . . . 41.450000000000003 111.625 -176.163 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' SER . . . . . 0.599 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 21.4 t -173.04 136.77 0.67 Allowed 'General case' 0 CA--C 1.511 -0.545 0 C-N-CA 119.409 -0.917 . . . . 42.5 110.953 -172.919 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.3 mt -128.23 107.88 16.83 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.152 0 C-N-CA 126.034 1.734 . . . . 44.590000000000003 110.784 171.408 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.38 112.89 24.53 Favored 'General case' 0 C--O 1.211 -0.964 0 CA-C-O 118.623 -0.703 . . . . 63.490000000000002 110.245 172.298 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -74.49 115.13 13.69 Favored 'General case' 0 C--O 1.194 -1.858 0 N-CA-C 107.911 -1.144 . . . . 71.189999999999998 107.911 166.164 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -108.36 179.01 0.93 Allowed Pre-proline 0 N--CA 1.475 0.778 0 N-CA-C 107.306 -1.368 . . . . 57.43 107.306 170.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -61.03 -48.44 10.3 Favored 'Trans proline' 0 CA--C 1.564 1.994 0 CA-C-O 117.263 -1.224 . . . . 56.759999999999998 113.373 -171.478 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -105.91 2.73 27.82 Favored 'General case' 0 CA--C 1.563 1.456 0 N-CA-C 121.322 3.823 . . . . 62.149999999999999 121.322 178.038 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -160.98 -177.2 5.96 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.801 -0.562 . . . . 56.210000000000001 111.26 -177.613 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.2 140.4 50.74 Favored 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 107.59 -1.263 . . . . 54.25 107.59 -179.608 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 29.5 m -100.98 133.46 45.43 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.926 -1.138 . . . . 40.289999999999999 107.926 170.634 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 18.9 m170 -109.0 127.81 54.41 Favored 'General case' 0 C--O 1.244 0.791 0 N-CA-C 106.875 -1.528 . . . . 34.240000000000002 106.875 172.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' VAL . . . . . 0.599 ' HB ' ' HB3' ' A' ' 14' ' ' SER . 86.3 t -103.22 124.69 57.53 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 N-CA-C 108.961 -0.755 . . . . 32.020000000000003 108.961 170.507 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 31.9 m -119.24 150.03 21.69 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.43 0 C-N-CA 119.71 -0.796 . . . . 32.869999999999997 109.796 178.155 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLU . . . . . 0.458 ' HG3' ' ND2' ' A' ' 57' ' ' ASN . 48.0 tt0 -93.31 103.14 15.4 Favored 'General case' 0 C--O 1.2 -1.51 0 CA-C-N 114.808 -1.087 . . . . 57.439999999999998 108.583 175.006 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.8 mt -78.62 147.14 70.82 Favored Pre-proline 0 C--O 1.242 0.699 0 CA-C-N 118.341 0.519 . . . . 42.93 111.995 -178.342 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_exo -54.46 140.03 74.5 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 122.398 2.065 . . . . 44.649999999999999 112.429 167.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -49.25 -41.53 37.88 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 114.919 1.451 . . . . 63.859999999999999 114.919 179.644 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 29.1 p-80 -66.13 -4.79 8.16 Favored 'General case' 0 C--O 1.269 2.125 0 N-CA-C 115.177 1.547 . . . . 50.020000000000003 115.177 -178.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 87.8 mtp -102.84 -12.9 17.23 Favored 'General case' 0 C--O 1.245 0.859 0 N-CA-C 114.148 1.166 . . . . 49.119999999999997 114.148 178.455 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.8 mt -77.72 -12.56 59.98 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 114.778 1.399 . . . . 53.159999999999997 114.778 -178.308 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.73 105.44 6.76 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 114.647 1.351 . . . . 64.459999999999994 114.647 -173.882 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.63 2.34 70.04 Favored Glycine 0 C--O 1.257 1.564 0 C-N-CA 120.049 -1.072 . . . . 49.439999999999998 111.526 177.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.2 tp -70.35 118.89 13.74 Favored 'General case' 0 CA--C 1.559 1.29 0 N-CA-C 112.858 0.688 . . . . 46.590000000000003 112.858 174.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -124.41 155.51 38.71 Favored 'General case' 0 C--O 1.264 1.835 0 N-CA-C 107.889 -1.152 . . . . 84.519999999999996 107.889 -177.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' THR . . . . . 0.488 HG23 ' O ' ' A' ' 108' ' ' HOH . 0.3 OUTLIER -58.62 139.95 55.17 Favored 'General case' 0 N--CA 1.428 -1.567 0 C-N-CA 118.994 -1.082 . . . . 44.829999999999998 111.534 174.662 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 100.05 -18.96 54.95 Favored Glycine 0 C--O 1.22 -0.773 0 O-C-N 121.949 -0.47 . . . . 37.009999999999998 113.146 -171.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.42 145.9 53.69 Favored 'General case' 0 CA--C 1.569 1.706 0 CA-C-O 122.399 1.095 . . . . 32.159999999999997 112.697 176.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.0 m -90.79 124.71 35.35 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 114.539 -1.21 . . . . 30.789999999999999 110.046 -179.874 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.2 t -125.67 132.79 70.43 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.939 0 N-CA-C 105.265 -2.124 . . . . 28.84 105.265 171.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.64 126.48 37.74 Favored 'General case' 0 CA--C 1.492 -1.277 0 N-CA-C 107.668 -1.234 . . . . 28.030000000000001 107.668 177.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -101.95 114.56 28.76 Favored 'General case' 0 C--O 1.253 1.283 0 O-C-N 124.941 1.4 . . . . 36.990000000000002 109.589 177.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 53.2 m-20 48.47 37.82 9.7 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 119.835 -0.746 . . . . 30.66 111.165 -172.017 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 88.93 -4.75 84.89 Favored Glycine 0 C--N 1.344 1.02 0 CA-C-O 119.598 -0.556 . . . . 28.09 113.076 175.273 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 12.5 t -98.97 119.1 37.19 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 121.655 0.741 . . . . 31.02 110.954 179.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 15.4 t -66.01 121.68 15.67 Favored 'General case' 0 N--CA 1.435 -1.187 0 CA-C-N 115.291 -0.868 . . . . 30.530000000000001 111.408 -179.39 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.1 mt -129.96 150.75 51.11 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 122.979 0.512 . . . . 26.949999999999999 111.501 177.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 55.5 m -98.47 129.17 45.07 Favored 'General case' 0 C--O 1.267 1.985 0 O-C-N 120.745 -1.222 . . . . 29.199999999999999 113.884 -178.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 94.9 t -60.36 118.04 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 C-N-CA 119.309 -0.957 . . . . 31.309999999999999 111.821 177.411 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 34.4 p -101.24 -19.14 15.81 Favored 'General case' 0 C--O 1.212 -0.908 0 O-C-N 121.829 -0.545 . . . . 38.240000000000002 112.003 178.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -163.29 145.37 9.89 Favored 'General case' 0 C--O 1.209 -1.076 0 N-CA-C 113.405 0.891 . . . . 69.299999999999997 113.405 -178.001 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.4 mt -132.07 114.78 24.91 Favored 'Isoleucine or valine' 0 C--O 1.257 1.491 0 O-C-N 123.742 0.651 . . . . 44.200000000000003 109.848 176.605 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -115.67 94.58 4.75 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.442 1.497 . . . . 75.439999999999998 108.289 167.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.77 -115.41 5.25 Favored Glycine 0 N--CA 1.438 -1.232 0 N-CA-C 106.458 -2.657 . . . . 46.909999999999997 106.458 176.506 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ASN . . . . . 0.458 ' ND2' ' HG3' ' A' ' 27' ' ' GLU . 19.2 p-10 -111.6 10.68 21.17 Favored 'General case' 0 C--O 1.26 1.653 0 N-CA-C 108.781 -0.822 . . . . 56.390000000000001 108.781 -177.519 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -96.06 111.82 23.73 Favored 'General case' 0 C--N 1.347 0.481 0 CA-C-N 114.867 -1.06 . . . . 41.640000000000001 110.131 175.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 10.9 t -116.22 129.18 73.06 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-O 121.774 0.797 . . . . 35.329999999999998 110.511 -172.456 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 74.9 m -102.26 143.55 31.9 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-N 115.217 -0.901 . . . . 34.840000000000003 112.699 -175.059 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -139.79 146.88 40.0 Favored 'General case' 0 C--O 1.252 1.224 0 O-C-N 125.828 1.955 . . . . 32.340000000000003 109.847 176.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -106.94 126.82 52.81 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 120.015 -0.674 . . . . 38.979999999999997 109.802 177.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LEU . . . . . 0.403 HD12 ' N ' ' A' ' 63' ' ' LEU . 6.5 mp -109.3 117.84 35.11 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 123.975 0.797 . . . . 35.380000000000003 111.222 -175.779 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' MET . . . . . 1.207 ' HB2' ' O ' ' A' ' 119' ' ' HOH . 33.1 mmt -72.51 162.36 29.58 Favored 'General case' 0 C--N 1.314 -0.951 0 O-C-N 121.219 -0.925 . . . . 54.780000000000001 109.689 176.907 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.26 -41.78 72.65 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 115.42 1.637 . . . . 91.120000000000005 115.42 173.16 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.329 0.5 OUTLIER -61.84 -43.13 99.46 Favored 'General case' 0 CA--C 1.561 1.39 0 C-N-CA 118.255 -1.378 . . . . 72.840000000000003 114.017 177.372 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 18.6 m -56.52 -43.57 79.93 Favored 'General case' 0 C--O 1.218 -0.576 0 O-C-N 121.49 -0.756 . . . . 39.520000000000003 111.086 174.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.7 mt -63.39 -36.98 85.53 Favored 'General case' 0 C--O 1.244 0.769 0 N-CA-C 114.569 1.322 . . . . 39.049999999999997 114.569 178.073 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -76.8 -44.87 30.93 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 116.768 -1.587 . . . . 95.840000000000003 112.494 178.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 96.6 mt -68.61 -29.74 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 CA-C-N 120.119 1.327 . . . . 38.229999999999997 112.722 -178.107 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.7 p -115.98 175.6 5.47 Favored 'General case' 0 C--N 1.312 -1.025 0 O-C-N 120.636 -1.29 . . . . 34.0 110.491 -171.086 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 42.5 p30 -81.59 3.17 26.12 Favored 'General case' 0 C--O 1.205 -1.282 0 N-CA-C 114.789 1.403 . . . . 33.369999999999997 114.789 176.693 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 66.5 mt -69.54 -23.94 63.65 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 120.84 -0.344 . . . . 37.07 110.426 -175.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.67 -29.7 67.56 Favored Glycine 0 C--O 1.213 -1.167 0 N-CA-C 115.645 1.018 . . . . 42.479999999999997 115.645 170.429 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -91.59 -2.75 57.0 Favored 'General case' 0 C--O 1.209 -1.029 0 N-CA-C 117.075 2.25 . . . . 56.950000000000003 117.075 178.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 44.2 mt -62.28 152.5 33.45 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 117.715 -1.594 . . . . 42.350000000000001 112.699 175.767 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.5 pttt -124.81 152.09 44.36 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 106.971 -1.492 . . . . 100.0 106.971 171.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.0 t -44.75 132.83 1.75 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 C-N-CA 123.696 0.798 . . . . 42.039999999999999 110.209 171.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 93.94 -7.82 73.36 Favored Glycine 0 CA--C 1.538 1.493 0 N-CA-C 116.593 1.397 . . . . 39.240000000000002 116.593 -174.263 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -78.18 158.24 29.1 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.979 0.895 . . . . 42.079999999999998 111.032 172.438 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -108.81 131.06 55.34 Favored 'General case' 0 N--CA 1.438 -1.069 0 CA-C-N 114.211 -1.359 . . . . 43.840000000000003 108.529 -179.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.3 m -111.59 135.3 51.24 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.629 0 N-CA-C 109.527 -0.545 . . . . 33.990000000000002 109.527 175.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -52.06 137.34 27.65 Favored 'General case' 0 CA--C 1.565 1.55 0 N-CA-C 110.074 -0.343 . . . . 29.719999999999999 110.074 161.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.7 m -133.91 143.65 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 C-N-CA 123.565 0.746 . . . . 29.93 109.497 179.191 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -149.67 122.29 8.59 Favored 'General case' 0 C--O 1.2 -1.519 0 N-CA-C 104.959 -2.237 . . . . 44.890000000000001 104.959 177.081 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 38.4 mtp180 -74.34 159.59 32.19 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 120.444 1.475 . . . . 51.479999999999997 111.376 167.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.28 2.665 1 CA-C-O 109.232 -5.175 . . . . 37.759999999999998 114.683 173.543 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.501 2.075 0 N-CA-C 115.209 1.559 . . . . 75.939999999999998 115.209 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -113.21 148.04 36.27 Favored 'General case' 0 C--O 1.246 0.901 0 CA-C-O 121.715 0.769 . . . . 44.119999999999997 110.691 172.244 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 31.2 p -93.48 -19.81 20.89 Favored 'General case' 0 C--O 1.246 0.91 0 CA-C-N 114.566 -1.197 . . . . 37.93 113.015 179.926 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.76 6.54 78.13 Favored Glycine 0 C--N 1.344 0.996 0 N-CA-C 115.277 0.871 . . . . 36.149999999999999 115.277 -171.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 6.2 mt -84.17 97.12 4.79 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 CA-C-O 122.445 1.117 . . . . 36.990000000000002 108.232 162.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 88.0 t -60.31 129.95 23.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 113.911 -1.495 . . . . 35.109999999999999 110.598 178.767 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -89.0 -21.95 23.25 Favored 'General case' 0 C--O 1.216 -0.707 0 C-N-CA 119.682 -0.807 . . . . 52.799999999999997 111.71 -176.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 169.64 -171.44 43.25 Favored Glycine 0 N--CA 1.44 -1.073 0 N-CA-C 110.205 -1.158 . . . . 37.340000000000003 110.205 171.036 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 73.5 p -106.78 155.9 19.22 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.973 0.731 . . . . 37.57 112.973 175.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.42 134.08 41.22 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 107.012 -1.477 . . . . 34.840000000000003 107.012 -178.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -74.38 129.74 38.34 Favored 'General case' 0 C--O 1.252 1.226 0 CA-C-N 115.754 -0.657 . . . . 55.600000000000001 111.253 177.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.22 112.91 9.71 Favored 'General case' 0 C--O 1.264 1.824 0 N-CA-C 107.963 -1.125 . . . . 35.009999999999998 107.963 170.332 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 10.5 m -100.65 -12.6 8.47 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.696 0 C-N-CA 118.088 -1.445 . . . . 41.899999999999999 112.258 -171.161 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' SER . . . . . 0.514 ' HB3' ' HB ' ' B' ' 25' ' ' VAL . 21.5 t -167.86 139.26 2.93 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 123.396 0.678 . . . . 42.409999999999997 111.433 -170.917 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 78.1 mt -130.8 122.13 51.64 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.841 0 N-CA-C 105.262 -2.125 . . . . 44.890000000000001 105.262 176.026 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -119.11 100.17 7.17 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 105.904 -1.887 . . . . 62.329999999999998 105.904 -177.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' GLU . . . . . 0.721 ' HG2' ' O ' ' B' ' 117' ' ' HOH . 0.7 OUTLIER -73.23 131.31 41.82 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.173 0.805 . . . . 75.5 113.173 175.794 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 18' ' ' LYS . . . . . 1.086 ' HB3' ' HD2' ' B' ' 19' ' ' PRO . 26.4 mttt -129.73 -159.43 0.04 OUTLIER Pre-proline 0 CA--C 1.585 2.317 0 C-N-CA 123.156 0.582 . . . . 73.569999999999993 111.712 171.594 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 19' ' ' PRO . . . . . 1.086 ' HD2' ' HB3' ' B' ' 18' ' ' LYS . 12.4 Cg_endo -48.39 -38.68 35.0 Favored 'Trans proline' 0 C--N 1.362 1.252 0 C-N-CA 123.183 2.588 . . . . 68.790000000000006 116.673 172.359 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -150.22 -20.2 0.25 Allowed 'General case' 1 C--N 0.937 -17.369 2 C-N-CA 84.613 -14.835 . . . . 100.0 110.72 -175.65 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -114.47 176.22 5.14 Favored 'General case' 1 C--N 1.205 -5.691 3 O-C-N 139.889 10.743 . . . . 56.079999999999998 114.62 -179.49 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.76 130.0 23.63 Favored 'General case' 0 C--O 1.207 -1.18 0 N-CA-C 107.358 -1.349 . . . . 66.230000000000004 107.358 -172.394 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 38.2 m -94.95 131.43 40.89 Favored 'General case' 0 CA--C 1.494 -1.196 0 N-CA-C 109.39 -0.596 . . . . 40.310000000000002 109.39 177.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -111.48 131.1 55.47 Favored 'General case' 0 CA--C 1.503 -0.864 0 N-CA-C 106.716 -1.587 . . . . 34.789999999999999 106.716 174.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' VAL . . . . . 0.514 ' HB ' ' HB3' ' B' ' 14' ' ' SER . 75.2 t -110.4 126.75 67.69 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.234 0 N-CA-C 105.731 -1.951 . . . . 31.699999999999999 105.731 174.12 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 31.0 m -122.34 149.31 25.78 Favored 'Isoleucine or valine' 0 C--N 1.343 0.293 0 O-C-N 124.396 1.06 . . . . 32.420000000000002 109.713 -179.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -94.25 100.94 12.91 Favored 'General case' 0 N--CA 1.437 -1.091 0 O-C-N 124.539 1.149 . . . . 56.789999999999999 108.446 176.698 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 4.0 mt -74.3 140.37 76.13 Favored Pre-proline 0 N--CA 1.472 0.631 0 N-CA-C 113.019 0.748 . . . . 42.009999999999998 113.019 178.027 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -54.91 144.2 68.53 Favored 'Trans proline' 0 N--CA 1.492 1.412 0 C-N-CA 121.694 1.596 . . . . 44.25 111.462 169.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -47.93 -47.24 32.47 Favored 'General case' 0 C--O 1.243 0.749 0 N-CA-C 114.907 1.447 . . . . 64.010000000000005 114.907 179.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 41.0 p-80 -61.62 -4.51 1.43 Allowed 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 117.471 2.397 . . . . 49.640000000000001 117.471 179.015 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 94.0 mtp -102.36 -14.75 16.79 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 115.296 1.591 . . . . 48.82 115.296 177.641 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.79 -20.5 62.59 Favored 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 116.838 2.162 . . . . 49.969999999999999 116.838 176.596 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -75.07 113.67 12.68 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.559 1.072 . . . . 100.0 112.472 -172.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.79 5.84 80.7 Favored Glycine 0 CA--C 1.506 -0.476 0 CA-C-O 119.419 -0.656 . . . . 49.5 112.178 178.349 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 28.2 tp -77.93 127.62 32.65 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-O 119.075 -0.488 . . . . 45.920000000000002 110.285 -179.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -130.91 152.53 50.13 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 124.145 0.903 . . . . 77.340000000000003 108.803 -170.496 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 18.8 p -63.38 142.51 58.36 Favored 'General case' 0 CA--C 1.559 1.319 0 C-N-CA 118.858 -1.137 . . . . 44.659999999999997 110.578 175.168 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 94.01 -18.97 55.65 Favored Glycine 0 C--O 1.218 -0.881 0 CA-C-O 118.08 -1.4 . . . . 37.780000000000001 113.601 -168.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.51 150.84 42.93 Favored 'General case' 0 CA--C 1.555 1.164 0 CA-C-N 118.487 1.144 . . . . 32.270000000000003 111.626 173.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 40.2 m -100.28 132.45 45.65 Favored 'General case' 0 C--O 1.211 -0.95 0 C-N-CA 123.998 0.919 . . . . 31.18 112.488 179.594 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 75.5 t -134.74 139.77 46.9 Favored 'Isoleucine or valine' 0 C--O 1.265 1.91 0 N-CA-C 103.402 -2.814 . . . . 28.850000000000001 103.402 175.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.63 129.57 39.86 Favored 'General case' 0 N--CA 1.418 -2.037 0 N-CA-C 105.971 -1.863 . . . . 28.609999999999999 105.971 179.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . 0.319 10.5 m-70 -111.31 111.76 23.04 Favored 'General case' 0 CA--C 1.473 -1.988 0 N-CA-C 104.682 -2.34 . . . . 37.380000000000003 104.682 -179.558 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 52.18 35.87 17.77 Favored 'General case' 0 N--CA 1.434 -1.232 0 C-N-CA 118.515 -1.274 . . . . 30.260000000000002 110.503 -174.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 90.31 -3.37 82.04 Favored Glycine 0 C--O 1.216 -0.97 0 N-CA-C 110.718 -0.953 . . . . 28.59 110.718 172.173 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' CYS . . . . . . . . . . . . . 31.9 t -102.0 116.87 33.63 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 121.096 -1.238 . . . . 32.409999999999997 109.943 -178.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' CYS . . . . . 0.481 ' HB2' ' HA3' ' A' ' 4' ' ' GLY . 46.5 t -67.77 124.8 24.32 Favored 'General case' 0 N--CA 1.434 -1.238 0 C-N-CA 123.285 0.634 . . . . 29.960000000000001 109.798 -179.373 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 89.9 mt -130.92 154.57 47.97 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.513 -0.921 . . . . 27.239999999999998 108.513 177.204 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 49.1 m -97.6 126.37 42.87 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 113.24 0.83 . . . . 30.02 113.24 179.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 81.0 t -56.83 117.27 1.27 Allowed 'Isoleucine or valine' 0 C--O 1.261 1.709 0 CA-C-N 117.94 0.336 . . . . 31.609999999999999 111.164 175.405 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 36.7 p -98.51 -25.51 14.74 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 118.422 -1.311 . . . . 38.950000000000003 112.187 176.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -157.48 142.57 16.92 Favored 'General case' 0 C--O 1.204 -1.297 0 N-CA-C 113.823 1.046 . . . . 69.269999999999996 113.823 -176.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 3.2 mt -126.29 118.27 50.86 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.323 0 O-C-N 124.057 0.848 . . . . 43.770000000000003 113.227 175.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -130.67 102.21 6.01 Favored 'General case' 0 N--CA 1.423 -1.815 0 CA-C-O 122.782 1.277 . . . . 44.539999999999999 108.258 174.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 61.13 -127.86 43.41 Favored Glycine 0 N--CA 1.433 -1.536 0 N-CA-C 107.387 -2.285 . . . . 46.450000000000003 107.387 -173.692 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -81.3 -7.07 59.51 Favored 'General case' 0 N--CA 1.428 -1.572 0 C-N-CA 125.926 1.69 . . . . 57.490000000000002 112.075 179.41 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -95.63 111.88 23.72 Favored 'General case' 0 C--O 1.252 1.231 0 CA-C-O 123.099 1.428 . . . . 41.469999999999999 110.068 -169.902 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 13.7 t -112.04 127.04 69.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 114.407 -1.27 . . . . 35.490000000000002 110.449 -174.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 62.4 m -98.34 146.09 26.04 Favored 'General case' 0 C--O 1.256 1.443 0 N-CA-C 112.787 0.662 . . . . 35.079999999999998 112.787 -176.124 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -136.6 146.72 46.39 Favored 'General case' 0 C--O 1.248 1.004 0 C-N-CA 123.992 0.917 . . . . 32.57 109.352 173.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -104.38 123.86 48.18 Favored 'General case' 0 C--O 1.261 1.672 0 C-N-CA 120.114 -0.634 . . . . 39.090000000000003 110.748 172.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 7.4 mp -105.38 112.65 25.83 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-N 116.397 -0.365 . . . . 35.020000000000003 111.336 -173.759 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' MET . . . . . . . . . . . . . 11.0 mmt -74.99 164.3 26.7 Favored 'General case' 0 C--O 1.212 -0.92 0 N-CA-C 114.334 1.235 . . . . 37.859999999999999 114.334 -176.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -53.73 -43.31 68.98 Favored 'General case' 0 CA--C 1.57 1.728 0 N-CA-C 114.054 1.131 . . . . 91.120000000000005 114.054 -175.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' GLU . . . . . 0.904 ' OE2' ' NH1' ' B' ' 69' ' ' ARG . 0.0 OUTLIER -65.94 -41.42 91.34 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.755 0.822 . . . . 57.490000000000002 112.341 -178.519 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 6.5 m -60.48 -45.5 93.52 Favored 'General case' 0 C--O 1.254 1.316 0 O-C-N 124.974 1.422 . . . . 39.259999999999998 109.176 174.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 13.8 mt -63.57 -39.62 94.87 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 113.254 0.835 . . . . 39.439999999999998 113.254 178.331 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' ARG . . . . . 0.904 ' NH1' ' OE2' ' B' ' 66' ' ' GLU . 0.1 OUTLIER -63.92 -47.08 81.95 Favored 'General case' 0 C--O 1.192 -1.96 0 N-CA-C 115.037 1.495 . . . . 71.049999999999997 115.037 173.76 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 59.0 mt -79.07 -33.58 15.99 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 O-C-N 120.282 -1.512 . . . . 38.109999999999999 113.402 -173.9 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 16.4 p -101.89 179.3 4.37 Favored 'General case' 0 C--O 1.198 -1.637 0 N-CA-C 112.79 0.663 . . . . 34.310000000000002 112.79 -173.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 52.3 p30 -89.28 3.67 51.33 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.279 0.631 . . . . 33.869999999999997 111.673 173.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 79.3 mt -68.79 -21.5 64.32 Favored 'General case' 0 C--O 1.208 -1.079 0 CA-C-N 118.778 0.717 . . . . 36.979999999999997 112.828 -176.145 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -64.21 -29.84 76.12 Favored Glycine 0 C--O 1.191 -2.541 0 O-C-N 121.158 -0.964 . . . . 42.68 112.808 172.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -87.59 -5.66 58.64 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 119.318 1.559 . . . . 56.950000000000003 114.028 -177.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 86.5 mt -65.26 150.81 47.6 Favored 'General case' 0 C--O 1.256 1.412 0 C-N-CA 119.394 -0.922 . . . . 42.840000000000003 109.512 -177.206 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -121.58 156.77 32.21 Favored 'General case' 0 C--O 1.253 1.283 0 N-CA-C 107.927 -1.138 . . . . 100.0 107.927 173.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 57.3 t -53.97 133.08 17.0 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.209 0 N-CA-C 109.529 -0.545 . . . . 42.340000000000003 109.529 174.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 98.83 -11.61 62.57 Favored Glycine 0 CA--C 1.528 0.844 0 N-CA-C 117.323 1.689 . . . . 39.200000000000003 117.323 -174.296 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -76.68 151.88 35.96 Favored 'General case' 0 CA--C 1.496 -1.128 0 CA-C-N 118.312 1.056 . . . . 42.659999999999997 110.46 176.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' TRP . . . . . . . . . . . . . 81.2 m95 -102.87 134.36 46.41 Favored 'General case' 0 C--N 1.308 -1.239 0 C-N-CA 119.644 -0.822 . . . . 44.43 111.451 175.032 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 4.0 m -114.04 139.98 36.98 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.633 0 O-C-N 124.314 1.009 . . . . 34.609999999999999 109.696 -179.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -63.28 136.25 57.57 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 108.477 -0.934 . . . . 29.84 108.477 168.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 7.9 m -130.02 143.17 41.85 Favored 'Isoleucine or valine' 0 C--O 1.251 1.183 0 C-N-CA 120.794 -0.363 . . . . 29.510000000000002 110.75 176.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -149.4 127.6 12.07 Favored 'General case' 0 CA--C 1.501 -0.94 0 N-CA-C 105.692 -1.966 . . . . 44.450000000000003 105.692 178.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -81.18 148.44 29.54 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-N 118.453 0.57 . . . . 51.18 112.3 171.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.562 1.406 0 CA-C-O 117.124 -1.417 . . . . 38.170000000000002 114.198 166.697 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 100' ' ' RBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' RBF . . . . . 0.417 HC81 HD11 ' A' ' 5' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . 0.488 ' O ' HG23 ' A' ' 38' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . 0.793 ' O ' ' HG2' ' A' ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . 1.207 ' O ' ' HB2' ' A' ' 64' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' 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 . . . . . 0.721 ' O ' ' HG2' ' B' ' 17' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . 0.793 ' HG2' ' O ' ' A' ' 118' ' ' HOH . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.682 0 N-CA-C 109.77 -0.455 . . . . 69.049999999999997 109.77 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -123.67 141.77 51.7 Favored 'General case' 0 C--O 1.256 1.431 0 C-N-CA 122.867 0.467 . . . . 43.310000000000002 112.065 -172.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.3 p -87.85 -21.52 24.97 Favored 'General case' 0 CA--C 1.558 1.273 0 N-CA-C 113.723 1.009 . . . . 38.280000000000001 113.723 176.784 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.481 ' HA3' ' HB2' ' B' ' 48' ' ' CYS . . . 82.82 2.6 90.66 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 119.773 -1.203 . . . . 35.549999999999997 114.133 -168.058 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.417 HD11 HC81 ' B' ' 101' ' ' RBF . 3.6 mt -88.61 98.47 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.534 0 N-CA-C 107.201 -1.407 . . . . 36.630000000000003 107.201 169.649 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.41 139.8 20.76 Favored 'Isoleucine or valine' 0 C--O 1.254 1.317 0 N-CA-C 106.456 -1.683 . . . . 35.460000000000001 106.456 -179.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -97.21 -11.22 24.48 Favored 'General case' 0 CA--C 1.497 -1.073 0 N-CA-C 112.581 0.586 . . . . 51.920000000000002 112.581 179.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 162.65 -171.65 38.52 Favored Glycine 0 CA--C 1.49 -1.521 0 N-CA-C 108.361 -1.896 . . . . 36.939999999999998 108.361 172.112 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 66.6 p -111.69 154.87 24.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.223 0.535 . . . . 36.799999999999997 111.09 174.413 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -133.34 140.45 47.41 Favored 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 106.755 -1.572 . . . . 34.960000000000001 106.755 179.471 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.1 tttm -83.32 132.81 35.0 Favored 'General case' 0 CA--C 1.509 -0.597 0 C-N-CA 123.268 0.627 . . . . 69.909999999999997 110.855 178.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.72 107.8 6.19 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 108.61 -0.885 . . . . 34.780000000000001 108.61 171.25 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.5 m -98.99 -2.22 9.86 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.924 0 C-N-CA 118.643 -1.223 . . . . 41.450000000000003 111.625 -176.163 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' SER . . . . . 0.599 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 21.4 t -173.04 136.77 0.67 Allowed 'General case' 0 CA--C 1.511 -0.545 0 C-N-CA 119.409 -0.917 . . . . 42.5 110.953 -172.919 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.3 mt -128.23 107.88 16.83 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.152 0 C-N-CA 126.034 1.734 . . . . 44.590000000000003 110.784 171.408 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.38 112.89 24.53 Favored 'General case' 0 C--O 1.211 -0.964 0 CA-C-O 118.623 -0.703 . . . . 63.490000000000002 110.245 172.298 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -74.49 115.13 13.69 Favored 'General case' 0 C--O 1.194 -1.858 0 N-CA-C 107.911 -1.144 . . . . 71.189999999999998 107.911 166.164 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -108.36 179.01 0.93 Allowed Pre-proline 0 N--CA 1.475 0.778 0 N-CA-C 107.306 -1.368 . . . . 57.43 107.306 170.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -61.03 -48.44 10.3 Favored 'Trans proline' 0 CA--C 1.564 1.994 0 CA-C-O 117.263 -1.224 . . . . 56.759999999999998 113.373 -171.478 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -105.91 2.73 27.82 Favored 'General case' 0 CA--C 1.563 1.456 0 N-CA-C 121.322 3.823 . . . . 62.149999999999999 121.322 178.038 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -160.98 -177.2 5.96 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.801 -0.562 . . . . 56.210000000000001 111.26 -177.613 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.2 140.4 50.74 Favored 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 107.59 -1.263 . . . . 54.25 107.59 -179.608 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 29.5 m -100.98 133.46 45.43 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.926 -1.138 . . . . 40.289999999999999 107.926 170.634 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 18.9 m170 -109.0 127.81 54.41 Favored 'General case' 0 C--O 1.244 0.791 0 N-CA-C 106.875 -1.528 . . . . 34.240000000000002 106.875 172.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.599 ' HB ' ' HB3' ' A' ' 14' ' ' SER . 86.3 t -103.22 124.69 57.53 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 N-CA-C 108.961 -0.755 . . . . 32.020000000000003 108.961 170.507 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 31.9 m -119.24 150.03 21.69 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.43 0 C-N-CA 119.71 -0.796 . . . . 32.869999999999997 109.796 178.155 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.458 ' HG3' ' ND2' ' A' ' 57' ' ' ASN . 48.0 tt0 -93.31 103.14 15.4 Favored 'General case' 0 C--O 1.2 -1.51 0 CA-C-N 114.808 -1.087 . . . . 57.439999999999998 108.583 175.006 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.8 mt -78.62 147.14 70.82 Favored Pre-proline 0 C--O 1.242 0.699 0 CA-C-N 118.341 0.519 . . . . 42.93 111.995 -178.342 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_exo -54.46 140.03 74.5 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 122.398 2.065 . . . . 44.649999999999999 112.429 167.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -49.25 -41.53 37.88 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 114.919 1.451 . . . . 63.859999999999999 114.919 179.644 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 29.1 p-80 -66.13 -4.79 8.16 Favored 'General case' 0 C--O 1.269 2.125 0 N-CA-C 115.177 1.547 . . . . 50.020000000000003 115.177 -178.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 87.8 mtp -102.84 -12.9 17.23 Favored 'General case' 0 C--O 1.245 0.859 0 N-CA-C 114.148 1.166 . . . . 49.119999999999997 114.148 178.455 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.8 mt -77.72 -12.56 59.98 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 114.778 1.399 . . . . 53.159999999999997 114.778 -178.308 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.73 105.44 6.76 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 114.647 1.351 . . . . 64.459999999999994 114.647 -173.882 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.63 2.34 70.04 Favored Glycine 0 C--O 1.257 1.564 0 C-N-CA 120.049 -1.072 . . . . 49.439999999999998 111.526 177.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.2 tp -70.35 118.89 13.74 Favored 'General case' 0 CA--C 1.559 1.29 0 N-CA-C 112.858 0.688 . . . . 46.590000000000003 112.858 174.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -124.41 155.51 38.71 Favored 'General case' 0 C--O 1.264 1.835 0 N-CA-C 107.889 -1.152 . . . . 84.519999999999996 107.889 -177.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' THR . . . . . 0.488 HG23 ' O ' ' A' ' 108' ' ' HOH . 0.3 OUTLIER -58.62 139.95 55.17 Favored 'General case' 0 N--CA 1.428 -1.567 0 C-N-CA 118.994 -1.082 . . . . 44.829999999999998 111.534 174.662 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 100.05 -18.96 54.95 Favored Glycine 0 C--O 1.22 -0.773 0 O-C-N 121.949 -0.47 . . . . 37.009999999999998 113.146 -171.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.42 145.9 53.69 Favored 'General case' 0 CA--C 1.569 1.706 0 CA-C-O 122.399 1.095 . . . . 32.159999999999997 112.697 176.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.0 m -90.79 124.71 35.35 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 114.539 -1.21 . . . . 30.789999999999999 110.046 -179.874 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.2 t -125.67 132.79 70.43 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.939 0 N-CA-C 105.265 -2.124 . . . . 28.84 105.265 171.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.64 126.48 37.74 Favored 'General case' 0 CA--C 1.492 -1.277 0 N-CA-C 107.668 -1.234 . . . . 28.030000000000001 107.668 177.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -101.95 114.56 28.76 Favored 'General case' 0 C--O 1.253 1.283 0 O-C-N 124.941 1.4 . . . . 36.990000000000002 109.589 177.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 53.2 m-20 48.47 37.82 9.7 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 119.835 -0.746 . . . . 30.66 111.165 -172.017 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 88.93 -4.75 84.89 Favored Glycine 0 C--N 1.344 1.02 0 CA-C-O 119.598 -0.556 . . . . 28.09 113.076 175.273 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 12.5 t -98.97 119.1 37.19 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 121.655 0.741 . . . . 31.02 110.954 179.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 15.4 t -66.01 121.68 15.67 Favored 'General case' 0 N--CA 1.435 -1.187 0 CA-C-N 115.291 -0.868 . . . . 30.530000000000001 111.408 -179.39 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.1 mt -129.96 150.75 51.11 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 122.979 0.512 . . . . 26.949999999999999 111.501 177.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 55.5 m -98.47 129.17 45.07 Favored 'General case' 0 C--O 1.267 1.985 0 O-C-N 120.745 -1.222 . . . . 29.199999999999999 113.884 -178.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 94.9 t -60.36 118.04 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 C-N-CA 119.309 -0.957 . . . . 31.309999999999999 111.821 177.411 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 34.4 p -101.24 -19.14 15.81 Favored 'General case' 0 C--O 1.212 -0.908 0 O-C-N 121.829 -0.545 . . . . 38.240000000000002 112.003 178.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -163.29 145.37 9.89 Favored 'General case' 0 C--O 1.209 -1.076 0 N-CA-C 113.405 0.891 . . . . 69.299999999999997 113.405 -178.001 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.4 mt -132.07 114.78 24.91 Favored 'Isoleucine or valine' 0 C--O 1.257 1.491 0 O-C-N 123.742 0.651 . . . . 44.200000000000003 109.848 176.605 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -115.67 94.58 4.75 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.442 1.497 . . . . 75.439999999999998 108.289 167.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.77 -115.41 5.25 Favored Glycine 0 N--CA 1.438 -1.232 0 N-CA-C 106.458 -2.657 . . . . 46.909999999999997 106.458 176.506 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.458 ' ND2' ' HG3' ' A' ' 27' ' ' GLU . 19.2 p-10 -111.6 10.68 21.17 Favored 'General case' 0 C--O 1.26 1.653 0 N-CA-C 108.781 -0.822 . . . . 56.390000000000001 108.781 -177.519 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -96.06 111.82 23.73 Favored 'General case' 0 C--N 1.347 0.481 0 CA-C-N 114.867 -1.06 . . . . 41.640000000000001 110.131 175.989 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 10.9 t -116.22 129.18 73.06 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-O 121.774 0.797 . . . . 35.329999999999998 110.511 -172.456 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 74.9 m -102.26 143.55 31.9 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-N 115.217 -0.901 . . . . 34.840000000000003 112.699 -175.059 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -139.79 146.88 40.0 Favored 'General case' 0 C--O 1.252 1.224 0 O-C-N 125.828 1.955 . . . . 32.340000000000003 109.847 176.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -106.94 126.82 52.81 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 120.015 -0.674 . . . . 38.979999999999997 109.802 177.582 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.403 HD12 ' N ' ' A' ' 63' ' ' LEU . 6.5 mp -109.3 117.84 35.11 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 123.975 0.797 . . . . 35.380000000000003 111.222 -175.779 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' MET . . . . . 1.207 ' HB2' ' O ' ' A' ' 119' ' ' HOH . 33.1 mmt -72.51 162.36 29.58 Favored 'General case' 0 C--N 1.314 -0.951 0 O-C-N 121.219 -0.925 . . . . 54.780000000000001 109.689 176.907 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.26 -41.78 72.65 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 115.42 1.637 . . . . 91.120000000000005 115.42 173.16 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.329 0.5 OUTLIER -61.84 -43.13 99.46 Favored 'General case' 0 CA--C 1.561 1.39 0 C-N-CA 118.255 -1.378 . . . . 72.840000000000003 114.017 177.372 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 18.6 m -56.52 -43.57 79.93 Favored 'General case' 0 C--O 1.218 -0.576 0 O-C-N 121.49 -0.756 . . . . 39.520000000000003 111.086 174.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.7 mt -63.39 -36.98 85.53 Favored 'General case' 0 C--O 1.244 0.769 0 N-CA-C 114.569 1.322 . . . . 39.049999999999997 114.569 178.073 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -76.8 -44.87 30.93 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 116.768 -1.587 . . . . 95.840000000000003 112.494 178.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 96.6 mt -68.61 -29.74 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 CA-C-N 120.119 1.327 . . . . 38.229999999999997 112.722 -178.107 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.7 p -115.98 175.6 5.47 Favored 'General case' 0 C--N 1.312 -1.025 0 O-C-N 120.636 -1.29 . . . . 34.0 110.491 -171.086 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 42.5 p30 -81.59 3.17 26.12 Favored 'General case' 0 C--O 1.205 -1.282 0 N-CA-C 114.789 1.403 . . . . 33.369999999999997 114.789 176.693 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 66.5 mt -69.54 -23.94 63.65 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 120.84 -0.344 . . . . 37.07 110.426 -175.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.67 -29.7 67.56 Favored Glycine 0 C--O 1.213 -1.167 0 N-CA-C 115.645 1.018 . . . . 42.479999999999997 115.645 170.429 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -91.59 -2.75 57.0 Favored 'General case' 0 C--O 1.209 -1.029 0 N-CA-C 117.075 2.25 . . . . 56.950000000000003 117.075 178.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 44.2 mt -62.28 152.5 33.45 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 117.715 -1.594 . . . . 42.350000000000001 112.699 175.767 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.5 pttt -124.81 152.09 44.36 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 106.971 -1.492 . . . . 100.0 106.971 171.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.0 t -44.75 132.83 1.75 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 C-N-CA 123.696 0.798 . . . . 42.039999999999999 110.209 171.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 93.94 -7.82 73.36 Favored Glycine 0 CA--C 1.538 1.493 0 N-CA-C 116.593 1.397 . . . . 39.240000000000002 116.593 -174.263 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -78.18 158.24 29.1 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.979 0.895 . . . . 42.079999999999998 111.032 172.438 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -108.81 131.06 55.34 Favored 'General case' 0 N--CA 1.438 -1.069 0 CA-C-N 114.211 -1.359 . . . . 43.840000000000003 108.529 -179.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.3 m -111.59 135.3 51.24 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.629 0 N-CA-C 109.527 -0.545 . . . . 33.990000000000002 109.527 175.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -52.06 137.34 27.65 Favored 'General case' 0 CA--C 1.565 1.55 0 N-CA-C 110.074 -0.343 . . . . 29.719999999999999 110.074 161.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.7 m -133.91 143.65 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 C-N-CA 123.565 0.746 . . . . 29.93 109.497 179.191 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -149.67 122.29 8.59 Favored 'General case' 0 C--O 1.2 -1.519 0 N-CA-C 104.959 -2.237 . . . . 44.890000000000001 104.959 177.081 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 38.4 mtp180 -74.34 159.59 32.19 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 120.444 1.475 . . . . 51.479999999999997 111.376 167.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.28 2.665 1 CA-C-O 109.232 -5.175 . . . . 37.759999999999998 114.683 173.543 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.501 2.075 0 N-CA-C 115.209 1.559 . . . . 75.939999999999998 115.209 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -113.21 148.04 36.27 Favored 'General case' 0 C--O 1.246 0.901 0 CA-C-O 121.715 0.769 . . . . 44.119999999999997 110.691 172.244 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 31.2 p -93.48 -19.81 20.89 Favored 'General case' 0 C--O 1.246 0.91 0 CA-C-N 114.566 -1.197 . . . . 37.93 113.015 179.926 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.76 6.54 78.13 Favored Glycine 0 C--N 1.344 0.996 0 N-CA-C 115.277 0.871 . . . . 36.149999999999999 115.277 -171.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 6.2 mt -84.17 97.12 4.79 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 CA-C-O 122.445 1.117 . . . . 36.990000000000002 108.232 162.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 88.0 t -60.31 129.95 23.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 113.911 -1.495 . . . . 35.109999999999999 110.598 178.767 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -89.0 -21.95 23.25 Favored 'General case' 0 C--O 1.216 -0.707 0 C-N-CA 119.682 -0.807 . . . . 52.799999999999997 111.71 -176.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 169.64 -171.44 43.25 Favored Glycine 0 N--CA 1.44 -1.073 0 N-CA-C 110.205 -1.158 . . . . 37.340000000000003 110.205 171.036 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 73.5 p -106.78 155.9 19.22 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.973 0.731 . . . . 37.57 112.973 175.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.42 134.08 41.22 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 107.012 -1.477 . . . . 34.840000000000003 107.012 -178.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -74.38 129.74 38.34 Favored 'General case' 0 C--O 1.252 1.226 0 CA-C-N 115.754 -0.657 . . . . 55.600000000000001 111.253 177.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.22 112.91 9.71 Favored 'General case' 0 C--O 1.264 1.824 0 N-CA-C 107.963 -1.125 . . . . 35.009999999999998 107.963 170.332 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 10.5 m -100.65 -12.6 8.47 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.696 0 C-N-CA 118.088 -1.445 . . . . 41.899999999999999 112.258 -171.161 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' SER . . . . . 0.514 ' HB3' ' HB ' ' B' ' 25' ' ' VAL . 21.5 t -167.86 139.26 2.93 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 123.396 0.678 . . . . 42.409999999999997 111.433 -170.917 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 78.1 mt -130.8 122.13 51.64 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.841 0 N-CA-C 105.262 -2.125 . . . . 44.890000000000001 105.262 176.026 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -119.11 100.17 7.17 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 105.904 -1.887 . . . . 62.329999999999998 105.904 -177.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' GLU . . . . . 0.721 ' HG2' ' O ' ' B' ' 117' ' ' HOH . 0.7 OUTLIER -73.23 131.31 41.82 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.173 0.805 . . . . 75.5 113.173 175.794 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' LYS . . . . . 1.086 ' HB3' ' HD2' ' B' ' 19' ' ' PRO . 26.4 mttt -129.73 -159.43 0.04 OUTLIER Pre-proline 0 CA--C 1.585 2.317 0 C-N-CA 123.156 0.582 . . . . 73.569999999999993 111.712 171.594 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' PRO . . . . . 1.086 ' HD2' ' HB3' ' B' ' 18' ' ' LYS . 12.4 Cg_endo -48.39 -38.68 35.0 Favored 'Trans proline' 0 C--N 1.362 1.252 0 C-N-CA 123.183 2.588 . . . . 68.790000000000006 116.673 172.359 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -150.22 -20.2 0.25 Allowed 'General case' 1 C--N 0.937 -17.369 2 C-N-CA 84.613 -14.835 . . . . 100.0 110.72 -175.65 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -114.47 176.22 5.14 Favored 'General case' 1 C--N 1.205 -5.691 3 O-C-N 139.889 10.743 . . . . 56.079999999999998 114.62 -179.49 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.76 130.0 23.63 Favored 'General case' 0 C--O 1.207 -1.18 0 N-CA-C 107.358 -1.349 . . . . 66.230000000000004 107.358 -172.394 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 38.2 m -94.95 131.43 40.89 Favored 'General case' 0 CA--C 1.494 -1.196 0 N-CA-C 109.39 -0.596 . . . . 40.310000000000002 109.39 177.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -111.48 131.1 55.47 Favored 'General case' 0 CA--C 1.503 -0.864 0 N-CA-C 106.716 -1.587 . . . . 34.789999999999999 106.716 174.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.514 ' HB ' ' HB3' ' B' ' 14' ' ' SER . 75.2 t -110.4 126.75 67.69 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.234 0 N-CA-C 105.731 -1.951 . . . . 31.699999999999999 105.731 174.12 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 31.0 m -122.34 149.31 25.78 Favored 'Isoleucine or valine' 0 C--N 1.343 0.293 0 O-C-N 124.396 1.06 . . . . 32.420000000000002 109.713 -179.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -94.25 100.94 12.91 Favored 'General case' 0 N--CA 1.437 -1.091 0 O-C-N 124.539 1.149 . . . . 56.789999999999999 108.446 176.698 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 4.0 mt -74.3 140.37 76.13 Favored Pre-proline 0 N--CA 1.472 0.631 0 N-CA-C 113.019 0.748 . . . . 42.009999999999998 113.019 178.027 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -54.91 144.2 68.53 Favored 'Trans proline' 0 N--CA 1.492 1.412 0 C-N-CA 121.694 1.596 . . . . 44.25 111.462 169.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -47.93 -47.24 32.47 Favored 'General case' 0 C--O 1.243 0.749 0 N-CA-C 114.907 1.447 . . . . 64.010000000000005 114.907 179.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 41.0 p-80 -61.62 -4.51 1.43 Allowed 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 117.471 2.397 . . . . 49.640000000000001 117.471 179.015 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 94.0 mtp -102.36 -14.75 16.79 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 115.296 1.591 . . . . 48.82 115.296 177.641 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.79 -20.5 62.59 Favored 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 116.838 2.162 . . . . 49.969999999999999 116.838 176.596 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -75.07 113.67 12.68 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.559 1.072 . . . . 100.0 112.472 -172.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.79 5.84 80.7 Favored Glycine 0 CA--C 1.506 -0.476 0 CA-C-O 119.419 -0.656 . . . . 49.5 112.178 178.349 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 28.2 tp -77.93 127.62 32.65 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-O 119.075 -0.488 . . . . 45.920000000000002 110.285 -179.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -130.91 152.53 50.13 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 124.145 0.903 . . . . 77.340000000000003 108.803 -170.496 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 18.8 p -63.38 142.51 58.36 Favored 'General case' 0 CA--C 1.559 1.319 0 C-N-CA 118.858 -1.137 . . . . 44.659999999999997 110.578 175.168 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 94.01 -18.97 55.65 Favored Glycine 0 C--O 1.218 -0.881 0 CA-C-O 118.08 -1.4 . . . . 37.780000000000001 113.601 -168.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.51 150.84 42.93 Favored 'General case' 0 CA--C 1.555 1.164 0 CA-C-N 118.487 1.144 . . . . 32.270000000000003 111.626 173.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 40.2 m -100.28 132.45 45.65 Favored 'General case' 0 C--O 1.211 -0.95 0 C-N-CA 123.998 0.919 . . . . 31.18 112.488 179.594 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 75.5 t -134.74 139.77 46.9 Favored 'Isoleucine or valine' 0 C--O 1.265 1.91 0 N-CA-C 103.402 -2.814 . . . . 28.850000000000001 103.402 175.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.63 129.57 39.86 Favored 'General case' 0 N--CA 1.418 -2.037 0 N-CA-C 105.971 -1.863 . . . . 28.609999999999999 105.971 179.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . 0.319 10.5 m-70 -111.31 111.76 23.04 Favored 'General case' 0 CA--C 1.473 -1.988 0 N-CA-C 104.682 -2.34 . . . . 37.380000000000003 104.682 -179.558 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 52.18 35.87 17.77 Favored 'General case' 0 N--CA 1.434 -1.232 0 C-N-CA 118.515 -1.274 . . . . 30.260000000000002 110.503 -174.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 90.31 -3.37 82.04 Favored Glycine 0 C--O 1.216 -0.97 0 N-CA-C 110.718 -0.953 . . . . 28.59 110.718 172.173 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' CYS . . . . . . . . . . . . . 31.9 t -102.0 116.87 33.63 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 121.096 -1.238 . . . . 32.409999999999997 109.943 -178.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' CYS . . . . . 0.481 ' HB2' ' HA3' ' A' ' 4' ' ' GLY . 46.5 t -67.77 124.8 24.32 Favored 'General case' 0 N--CA 1.434 -1.238 0 C-N-CA 123.285 0.634 . . . . 29.960000000000001 109.798 -179.373 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 89.9 mt -130.92 154.57 47.97 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.513 -0.921 . . . . 27.239999999999998 108.513 177.204 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 49.1 m -97.6 126.37 42.87 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 113.24 0.83 . . . . 30.02 113.24 179.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 81.0 t -56.83 117.27 1.27 Allowed 'Isoleucine or valine' 0 C--O 1.261 1.709 0 CA-C-N 117.94 0.336 . . . . 31.609999999999999 111.164 175.405 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 36.7 p -98.51 -25.51 14.74 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 118.422 -1.311 . . . . 38.950000000000003 112.187 176.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -157.48 142.57 16.92 Favored 'General case' 0 C--O 1.204 -1.297 0 N-CA-C 113.823 1.046 . . . . 69.269999999999996 113.823 -176.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 3.2 mt -126.29 118.27 50.86 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.323 0 O-C-N 124.057 0.848 . . . . 43.770000000000003 113.227 175.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -130.67 102.21 6.01 Favored 'General case' 0 N--CA 1.423 -1.815 0 CA-C-O 122.782 1.277 . . . . 44.539999999999999 108.258 174.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 61.13 -127.86 43.41 Favored Glycine 0 N--CA 1.433 -1.536 0 N-CA-C 107.387 -2.285 . . . . 46.450000000000003 107.387 -173.692 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -81.3 -7.07 59.51 Favored 'General case' 0 N--CA 1.428 -1.572 0 C-N-CA 125.926 1.69 . . . . 57.490000000000002 112.075 179.41 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 16.4 m170 -95.63 111.88 23.72 Favored 'General case' 0 C--O 1.252 1.231 0 CA-C-O 123.099 1.428 . . . . 41.469999999999999 110.068 -169.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 13.7 t -112.04 127.04 69.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 114.407 -1.27 . . . . 35.490000000000002 110.449 -174.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 62.4 m -98.34 146.09 26.04 Favored 'General case' 0 C--O 1.256 1.443 0 N-CA-C 112.787 0.662 . . . . 35.079999999999998 112.787 -176.124 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -136.6 146.72 46.39 Favored 'General case' 0 C--O 1.248 1.004 0 C-N-CA 123.992 0.917 . . . . 32.57 109.352 173.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -104.38 123.86 48.18 Favored 'General case' 0 C--O 1.261 1.672 0 C-N-CA 120.114 -0.634 . . . . 39.090000000000003 110.748 172.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 7.4 mp -105.38 112.65 25.83 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-N 116.397 -0.365 . . . . 35.020000000000003 111.336 -173.759 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' MET . . . . . . . . . . . . . 11.0 mmt -74.99 164.3 26.7 Favored 'General case' 0 C--O 1.212 -0.92 0 N-CA-C 114.334 1.235 . . . . 37.859999999999999 114.334 -176.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -53.73 -43.31 68.98 Favored 'General case' 0 CA--C 1.57 1.728 0 N-CA-C 114.054 1.131 . . . . 91.120000000000005 114.054 -175.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' GLU . . . . . 0.904 ' OE2' ' NH1' ' B' ' 69' ' ' ARG . 0.0 OUTLIER -65.94 -41.42 91.34 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.755 0.822 . . . . 57.490000000000002 112.341 -178.519 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 6.5 m -60.48 -45.5 93.52 Favored 'General case' 0 C--O 1.254 1.316 0 O-C-N 124.974 1.422 . . . . 39.259999999999998 109.176 174.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 13.8 mt -63.57 -39.62 94.87 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 113.254 0.835 . . . . 39.439999999999998 113.254 178.331 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' ARG . . . . . 0.904 ' NH1' ' OE2' ' B' ' 66' ' ' GLU . 0.1 OUTLIER -63.92 -47.08 81.95 Favored 'General case' 0 C--O 1.192 -1.96 0 N-CA-C 115.037 1.495 . . . . 71.049999999999997 115.037 173.76 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 59.0 mt -79.07 -33.58 15.99 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 O-C-N 120.282 -1.512 . . . . 38.109999999999999 113.402 -173.9 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 16.4 p -101.89 179.3 4.37 Favored 'General case' 0 C--O 1.198 -1.637 0 N-CA-C 112.79 0.663 . . . . 34.310000000000002 112.79 -173.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 52.3 p30 -89.28 3.67 51.33 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.279 0.631 . . . . 33.869999999999997 111.673 173.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 79.3 mt -68.79 -21.5 64.32 Favored 'General case' 0 C--O 1.208 -1.079 0 CA-C-N 118.778 0.717 . . . . 36.979999999999997 112.828 -176.145 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -64.21 -29.84 76.12 Favored Glycine 0 C--O 1.191 -2.541 0 O-C-N 121.158 -0.964 . . . . 42.68 112.808 172.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -87.59 -5.66 58.64 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 119.318 1.559 . . . . 56.950000000000003 114.028 -177.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 86.5 mt -65.26 150.81 47.6 Favored 'General case' 0 C--O 1.256 1.412 0 C-N-CA 119.394 -0.922 . . . . 42.840000000000003 109.512 -177.206 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -121.58 156.77 32.21 Favored 'General case' 0 C--O 1.253 1.283 0 N-CA-C 107.927 -1.138 . . . . 100.0 107.927 173.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 57.3 t -53.97 133.08 17.0 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.209 0 N-CA-C 109.529 -0.545 . . . . 42.340000000000003 109.529 174.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 98.83 -11.61 62.57 Favored Glycine 0 CA--C 1.528 0.844 0 N-CA-C 117.323 1.689 . . . . 39.200000000000003 117.323 -174.296 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -76.68 151.88 35.96 Favored 'General case' 0 CA--C 1.496 -1.128 0 CA-C-N 118.312 1.056 . . . . 42.659999999999997 110.46 176.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' TRP . . . . . . . . . . . . . 81.2 m95 -102.87 134.36 46.41 Favored 'General case' 0 C--N 1.308 -1.239 0 C-N-CA 119.644 -0.822 . . . . 44.43 111.451 175.032 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 4.0 m -114.04 139.98 36.98 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.633 0 O-C-N 124.314 1.009 . . . . 34.609999999999999 109.696 -179.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -63.28 136.25 57.57 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 108.477 -0.934 . . . . 29.84 108.477 168.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 7.9 m -130.02 143.17 41.85 Favored 'Isoleucine or valine' 0 C--O 1.251 1.183 0 C-N-CA 120.794 -0.363 . . . . 29.510000000000002 110.75 176.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -149.4 127.6 12.07 Favored 'General case' 0 CA--C 1.501 -0.94 0 N-CA-C 105.692 -1.966 . . . . 44.450000000000003 105.692 178.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -81.18 148.44 29.54 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-N 118.453 0.57 . . . . 51.18 112.3 171.607 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.562 1.406 0 CA-C-O 117.124 -1.417 . . . . 38.170000000000002 114.198 166.697 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' RBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' RBF . . . . . 0.417 HC81 HD11 ' A' ' 5' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . 0.488 ' O ' HG23 ' A' ' 38' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . 0.793 ' O ' ' HG2' ' A' ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . 1.207 ' O ' ' HB2' ' A' ' 64' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' 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 . . . . . 0.721 ' O ' ' HG2' ' B' ' 17' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_