data_4icb_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 4icb _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 ' 0' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 C--O 1.263 1.8 0 CA-C-O 126.96 3.267 . . . . 31.059999999999999 111.91 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 52.6 mttm -136.82 143.74 43.29 Favored 'General case' 0 C--O 1.26 1.626 0 CA-C-N 112.025 -2.352 . . . . 30.629999999999999 109.622 -179.335 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.6 p -74.76 162.28 74.24 Favored Pre-proline 0 CA--C 1.593 2.601 0 O-C-N 126.031 2.082 . . . . 17.800000000000001 106.713 177.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -56.7 -42.27 66.78 Favored 'Trans proline' 0 C--N 1.291 -2.463 0 O-C-N 126.597 2.893 . . . . 16.859999999999999 108.993 177.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -61.82 -36.4 81.05 Favored 'General case' 0 C--O 1.28 2.694 0 CA-C-O 126.826 3.203 . . . . 24.539999999999999 112.663 178.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -70.47 -37.94 74.35 Favored 'General case' 0 C--O 1.238 0.486 1 O-C-N 113.224 -5.923 . . . . 30.280000000000001 109.967 178.199 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.9 tp -66.21 -39.2 89.44 Favored 'General case' 0 C--N 1.289 -2.028 0 O-C-N 120.25 -1.531 . . . . 23.449999999999999 108.774 177.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -64.87 -35.26 80.57 Favored 'General case' 0 C--O 1.294 3.415 0 C-N-CA 114.047 -3.061 . . . . 29.82 111.513 179.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.69 -30.54 76.47 Favored Glycine 0 C--O 1.289 3.568 0 C-N-CA 120.508 -0.854 . . . . 14.66 111.639 -179.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 79.0 mt -73.92 -48.26 39.52 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.324 0 N-CA-C 104.583 -2.376 . . . . 17.600000000000001 104.583 179.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -51.48 -54.18 29.77 Favored 'General case' 1 N--CA 1.553 4.716 0 O-C-N 128.788 3.805 . . . . 13.039999999999999 108.712 178.776 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -51.81 -43.39 63.08 Favored 'General case' 0 CA--C 1.477 -1.847 0 N-CA-C 115.029 1.492 . . . . 26.859999999999999 115.029 -179.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.278 0.1 OUTLIER -62.73 -36.44 83.02 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.231 -1.543 . . . . 32.43 112.456 179.652 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -85.55 -31.66 22.57 Favored 'General case' 0 CA--C 1.581 2.136 0 CA-C-O 117.913 -1.041 . . . . 16.260000000000002 109.715 -178.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.01 -27.86 65.03 Favored 'General case' 0 C--O 1.302 3.846 0 O-C-N 127.633 3.083 . . . . 9.5899999999999999 109.587 -177.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.37 -0.83 43.05 Favored 'General case' 0 C--N 1.273 -2.719 0 O-C-N 116.403 -3.936 . . . . 13.25 112.433 -177.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -72.17 -30.77 65.31 Favored 'General case' 0 C--O 1.269 2.128 0 CA-C-N 123.856 3.026 . . . . 17.57 114.929 -176.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -155.59 163.58 39.77 Favored 'General case' 0 C--N 1.295 -1.799 0 C-N-CA 119.001 -1.08 . . . . 17.780000000000001 109.463 -176.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 46.59 -132.5 11.71 Favored Glycine 0 C--N 1.369 2.365 0 C-N-CA 116.907 -2.568 . . . . 10.94 118.749 177.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -58.4 116.5 15.19 Favored Pre-proline 0 C--O 1.288 3.129 1 CA-C-O 108.878 -5.344 . . . . 12.08 108.196 176.046 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . 0.361 33.7 Cg_endo -67.85 -16.42 45.74 Favored 'Trans proline' 1 C--N 1.26 -4.129 1 O-C-N 133.573 6.565 . . . . 12.74 108.625 -178.276 . . . . . . . . 4 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -108.72 2.52 21.88 Favored 'General case' 0 C--O 1.301 3.779 0 CA-C-O 115.204 -2.332 . . . . 23.199999999999999 111.198 -174.089 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -131.87 158.3 41.7 Favored 'General case' 0 N--CA 1.41 -2.453 0 CA-C-N 121.021 1.737 . . . . 13.08 113.831 179.349 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.5 mt -95.62 130.64 42.43 Favored 'General case' 0 C--O 1.261 1.674 0 C-N-CA 119.146 -1.022 . . . . 11.300000000000001 112.555 -179.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . 0.276 87.5 p -81.94 170.89 15.07 Favored 'General case' 0 CA--C 1.585 2.323 0 N-CA-C 105.689 -1.967 . . . . 13.74 105.689 169.974 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -60.84 -41.64 96.2 Favored 'General case' 0 C--N 1.28 -2.419 0 CA-C-O 115.185 -2.341 . . . . 21.98 107.09 179.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -63.39 -40.3 96.84 Favored 'General case' 0 C--O 1.281 2.732 0 CA-C-O 125.482 2.563 . . . . 40.170000000000002 111.681 -178.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -63.63 -38.32 90.68 Favored 'General case' 0 C--O 1.278 2.579 0 CA-C-O 116.244 -1.836 . . . . 10.369999999999999 111.043 176.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.0 tp -64.88 -42.52 94.73 Favored 'General case' 0 C--O 1.258 1.545 0 CA-C-N 121.329 1.877 . . . . 15.98 106.025 -179.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -56.46 -50.62 71.2 Favored 'General case' 0 C--O 1.287 3.033 0 O-C-N 127.37 2.919 . . . . 33.609999999999999 110.107 178.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.2 mt -58.61 -45.64 88.73 Favored 'General case' 0 C--O 1.278 2.563 0 CA-C-N 120.941 1.7 . . . . 14.76 111.792 179.026 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.9 tt -60.11 -52.8 63.8 Favored 'General case' 0 N--CA 1.484 1.259 1 CA-C-O 110.506 -4.569 . . . . 14.93 109.333 -179.918 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.9 mt -61.54 -49.06 78.21 Favored 'General case' 0 C--N 1.291 -1.973 1 O-C-N 129.19 4.056 . . . . 17.300000000000001 110.907 -176.685 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -60.13 -39.48 86.44 Favored 'General case' 0 C--N 1.29 -1.99 0 CA-C-O 115.671 -2.109 . . . . 35.039999999999999 110.242 -178.953 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.1 m -83.99 -46.95 11.49 Favored 'General case' 0 C--O 1.259 1.569 0 CA-C-O 116.959 -1.496 . . . . 22.289999999999999 112.642 -176.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -100.75 -31.91 10.96 Favored 'General case' 0 N--CA 1.436 -1.175 0 N-CA-C 119.41 3.115 . . . . 27.210000000000001 119.41 -171.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' PHE . . . . . 0.448 ' N ' ' CD ' ' A' ' 37' ' ' PRO . 35.2 m-85 -137.92 57.24 12.73 Favored Pre-proline 0 C--N 1.312 -1.025 0 C-N-CA 125.975 1.71 . . . . 20.739999999999998 111.569 -176.2 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' PRO . . . . . 0.448 ' CD ' ' N ' ' A' ' 36' ' ' PHE . 9.7 Cg_endo -56.7 -28.12 74.06 Favored 'Trans proline' 0 C--O 1.283 2.733 0 C-N-CA 123.351 2.701 . . . . 24.989999999999998 116.795 -176.97 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 93.1 p -68.76 -18.36 64.2 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 119.666 -1.896 . . . . 28.52 109.228 179.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.1 mt -67.71 -22.19 65.27 Favored 'General case' 0 C--O 1.256 1.44 0 CA-C-O 113.769 -3.015 . . . . 29.969999999999999 110.141 -175.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 98.7 mt -94.54 12.42 27.48 Favored 'General case' 0 C--N 1.276 -2.593 0 O-C-N 126.991 2.682 . . . . 29.859999999999999 116.064 -178.209 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . 0.319 0.0 OUTLIER -99.13 3.48 46.61 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-O 125.089 2.376 . . . . 28.82 107.845 -178.853 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 132.27 155.36 7.93 Favored Glycine 0 N--CA 1.439 -1.164 0 CA-C-N 111.966 -2.379 . . . . 21.329999999999998 110.913 178.092 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -87.11 1.43 68.15 Favored 'Cis proline' 0 C--O 1.202 -1.294 0 O-C-N 127.021 3.116 . . . . 15.51 112.054 -177.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.5 m -91.86 146.88 23.4 Favored 'General case' 0 C--O 1.265 1.87 0 N-CA-C 114.776 1.399 . . . . 18.129999999999999 114.776 -179.454 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 62.6 p -81.24 171.46 14.83 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 105.977 -1.86 . . . . 16.960000000000001 105.977 170.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -63.89 -41.31 97.75 Favored 'General case' 0 N--CA 1.51 2.548 0 CA-C-O 115.96 -1.971 . . . . 23.050000000000001 109.566 179.103 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -57.51 -42.64 83.2 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 125.674 1.859 . . . . 30.280000000000001 109.7 178.24 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -68.87 -42.02 77.57 Favored 'General case' 0 N--CA 1.426 -1.638 0 N-CA-C 114.78 1.4 . . . . 27.68 114.78 179.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.3 tp -61.74 -50.35 72.77 Favored 'General case' 0 CA--C 1.592 2.567 0 N-CA-C 106.779 -1.563 . . . . 25.460000000000001 106.779 177.162 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -52.36 -48.87 65.31 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 125.594 1.809 . . . . 16.960000000000001 112.072 179.455 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -59.42 -35.55 74.21 Favored 'General case' 0 CA--C 1.469 -2.145 0 O-C-N 125.864 1.978 . . . . 43.140000000000001 112.227 179.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -70.79 -39.44 73.13 Favored 'General case' 0 CA--C 1.513 -0.474 0 O-C-N 118.249 -2.782 . . . . 33.079999999999998 115.514 178.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 87.7 mt -72.02 -37.51 69.76 Favored 'General case' 0 CA--C 1.579 2.091 0 C-N-CA 125.109 1.364 . . . . 20.530000000000001 111.657 -178.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -79.52 79.61 5.97 Favored 'General case' 0 N--CA 1.498 1.963 1 O-C-N 131.547 5.53 . . . . 16.030000000000001 110.407 -178.823 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -63.45 -45.59 90.18 Favored 'General case' 0 C--O 1.291 3.277 0 C-N-CA 125.261 1.424 . . . . 32.439999999999998 114.206 -178.525 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 31.2 p-10 -80.93 -1.84 45.22 Favored 'General case' 0 C--O 1.274 2.379 0 CA-C-O 113.486 -3.15 . . . . 24.289999999999999 110.582 -178.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.7 29.02 73.48 Favored Glycine 0 C--N 1.286 -2.228 0 CA-C-N 123.878 3.035 . . . . 21.43 116.928 177.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 58.6 p30 -91.74 1.9 56.85 Favored 'General case' 0 C--O 1.26 1.64 0 O-C-N 126.038 1.67 . . . . 19.190000000000001 114.44 178.522 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.63 12.78 81.2 Favored Glycine 0 C--O 1.269 2.322 0 CA-C-O 113.946 -3.697 . . . . 14.56 110.119 177.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -134.14 148.08 50.9 Favored 'General case' 0 C--N 1.259 -3.335 0 O-C-N 126.379 1.87 . . . . 14.869999999999999 108.976 -178.021 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 37.6 t -110.01 117.79 55.49 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.41 0 CA-C-O 124.117 1.913 . . . . 11.220000000000001 107.539 176.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 88.4 p -83.68 171.9 12.79 Favored 'General case' 0 CA--C 1.564 1.49 0 O-C-N 118.647 -2.533 . . . . 13.73 108.532 -179.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -63.59 -32.58 74.1 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 126.588 2.43 . . . . 19.300000000000001 109.492 177.753 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -65.28 -40.62 94.13 Favored 'General case' 0 N--CA 1.532 3.653 0 CA-C-O 126.726 3.155 . . . . 38.289999999999999 110.852 -179.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -68.34 -38.88 81.92 Favored 'General case' 0 N--CA 1.435 -1.22 0 O-C-N 118.008 -2.933 . . . . 17.489999999999998 111.681 -178.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -60.27 -27.01 66.91 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-N 113.011 -1.904 . . . . 23.75 112.139 179.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -52.36 -31.28 32.93 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 113.496 0.924 . . . . 28.09 113.496 179.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . 0.286 2.1 t -56.15 -26.09 21.02 Favored 'Isoleucine or valine' 0 C--O 1.267 1.982 0 C-N-CA 118.705 -1.198 . . . . 27.600000000000001 108.722 -178.861 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.8 mt -81.61 -16.86 50.19 Favored 'General case' 0 C--O 1.247 0.972 0 O-C-N 118.493 -2.629 . . . . 28.239999999999998 115.112 -177.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.8 t -61.01 -35.51 65.78 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.322 0 CA-C-O 116.057 -1.925 . . . . 31.449999999999999 111.69 -174.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . 0.283 1.8 tmmt? -59.7 -46.23 89.73 Favored 'General case' 0 N--CA 1.526 3.339 0 CA-C-N 121.844 2.111 . . . . 45.0 107.29 -178.156 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -55.92 -44.99 78.84 Favored 'General case' 0 C--O 1.255 1.383 0 C-N-CA 127.488 2.315 . . . . 41.539999999999999 112.772 178.499 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 31.0 mt -70.52 -39.78 76.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 C-N-CA 125.007 1.323 . . . . 42.350000000000001 114.508 179.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.9 m -74.2 -38.69 63.53 Favored 'General case' 0 C--O 1.248 0.983 0 C-N-CA 128.031 2.532 . . . . 49.090000000000003 113.367 -174.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.253 1.239 0 O-C-N 128.516 3.635 . . . . 54.520000000000003 113.768 -178.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 C--O 1.263 1.8 0 CA-C-O 126.96 3.267 . . . . 31.059999999999999 111.91 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 52.6 mttm -136.82 143.74 43.29 Favored 'General case' 0 C--O 1.26 1.626 0 CA-C-N 112.025 -2.352 . . . . 30.629999999999999 109.622 -179.335 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.6 p -74.76 162.28 74.24 Favored Pre-proline 0 CA--C 1.593 2.601 0 O-C-N 126.031 2.082 . . . . 17.800000000000001 106.713 177.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -56.7 -42.27 66.78 Favored 'Trans proline' 0 C--N 1.291 -2.463 0 O-C-N 126.597 2.893 . . . . 16.859999999999999 108.993 177.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -61.82 -36.4 81.05 Favored 'General case' 0 C--O 1.28 2.694 0 CA-C-O 126.826 3.203 . . . . 24.539999999999999 112.663 178.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -70.47 -37.94 74.35 Favored 'General case' 0 C--O 1.238 0.486 1 O-C-N 113.224 -5.923 . . . . 30.280000000000001 109.967 178.199 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.9 tp -66.21 -39.2 89.44 Favored 'General case' 0 C--N 1.289 -2.028 0 O-C-N 120.25 -1.531 . . . . 23.449999999999999 108.774 177.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -64.87 -35.26 80.57 Favored 'General case' 0 C--O 1.294 3.415 0 C-N-CA 114.047 -3.061 . . . . 29.82 111.513 179.61 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.69 -30.54 76.47 Favored Glycine 0 C--O 1.289 3.568 0 C-N-CA 120.508 -0.854 . . . . 14.66 111.639 -179.774 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 79.0 mt -73.92 -48.26 39.52 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.324 0 N-CA-C 104.583 -2.376 . . . . 17.600000000000001 104.583 179.159 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -51.48 -54.18 29.77 Favored 'General case' 1 N--CA 1.553 4.716 0 O-C-N 128.788 3.805 . . . . 13.039999999999999 108.712 178.776 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 127' ' ' HOH . 95.9 mt-10 -51.81 -43.39 63.08 Favored 'General case' 0 CA--C 1.477 -1.847 0 N-CA-C 115.029 1.492 . . . . 26.859999999999999 115.029 -179.086 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.278 0.1 OUTLIER -62.73 -36.44 83.02 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.231 -1.543 . . . . 32.43 112.456 179.652 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -85.55 -31.66 22.57 Favored 'General case' 0 CA--C 1.581 2.136 0 CA-C-O 117.913 -1.041 . . . . 16.260000000000002 109.715 -178.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.01 -27.86 65.03 Favored 'General case' 0 C--O 1.302 3.846 0 O-C-N 127.633 3.083 . . . . 9.5899999999999999 109.587 -177.121 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.37 -0.83 43.05 Favored 'General case' 0 C--N 1.273 -2.719 0 O-C-N 116.403 -3.936 . . . . 13.25 112.433 -177.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -72.17 -30.77 65.31 Favored 'General case' 0 C--O 1.269 2.128 0 CA-C-N 123.856 3.026 . . . . 17.57 114.929 -176.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -155.59 163.58 39.77 Favored 'General case' 0 C--N 1.295 -1.799 0 C-N-CA 119.001 -1.08 . . . . 17.780000000000001 109.463 -176.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 46.59 -132.5 11.71 Favored Glycine 0 C--N 1.369 2.365 0 C-N-CA 116.907 -2.568 . . . . 10.94 118.749 177.619 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -58.4 116.5 15.19 Favored Pre-proline 0 C--O 1.288 3.129 1 CA-C-O 108.878 -5.344 . . . . 12.08 108.196 176.046 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . 0.361 33.7 Cg_endo -67.85 -16.42 45.74 Favored 'Trans proline' 1 C--N 1.26 -4.129 1 O-C-N 133.573 6.565 . . . . 12.74 108.625 -178.276 . . . . . . . . 4 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -108.72 2.52 21.88 Favored 'General case' 0 C--O 1.301 3.779 0 CA-C-O 115.204 -2.332 . . . . 23.199999999999999 111.198 -174.089 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -131.87 158.3 41.7 Favored 'General case' 0 N--CA 1.41 -2.453 0 CA-C-N 121.021 1.737 . . . . 13.08 113.831 179.349 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.5 mt -95.62 130.64 42.43 Favored 'General case' 0 C--O 1.261 1.674 0 C-N-CA 119.146 -1.022 . . . . 11.300000000000001 112.555 -179.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . 0.276 87.5 p -81.94 170.89 15.07 Favored 'General case' 0 CA--C 1.585 2.323 0 N-CA-C 105.689 -1.967 . . . . 13.74 105.689 169.974 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -60.84 -41.64 96.2 Favored 'General case' 0 C--N 1.28 -2.419 0 CA-C-O 115.185 -2.341 . . . . 21.98 107.09 179.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -63.39 -40.3 96.84 Favored 'General case' 0 C--O 1.281 2.732 0 CA-C-O 125.482 2.563 . . . . 40.170000000000002 111.681 -178.675 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -63.63 -38.32 90.68 Favored 'General case' 0 C--O 1.278 2.579 0 CA-C-O 116.244 -1.836 . . . . 10.369999999999999 111.043 176.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.0 tp -64.88 -42.52 94.73 Favored 'General case' 0 C--O 1.258 1.545 0 CA-C-N 121.329 1.877 . . . . 15.98 106.025 -179.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -56.46 -50.62 71.2 Favored 'General case' 0 C--O 1.287 3.033 0 O-C-N 127.37 2.919 . . . . 33.609999999999999 110.107 178.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.2 mt -58.61 -45.64 88.73 Favored 'General case' 0 C--O 1.278 2.563 0 CA-C-N 120.941 1.7 . . . . 14.76 111.792 179.026 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.9 tt -60.11 -52.8 63.8 Favored 'General case' 0 N--CA 1.484 1.259 1 CA-C-O 110.506 -4.569 . . . . 14.93 109.333 -179.918 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.9 mt -61.54 -49.06 78.21 Favored 'General case' 0 C--N 1.291 -1.973 1 O-C-N 129.19 4.056 . . . . 17.300000000000001 110.907 -176.685 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -60.13 -39.48 86.44 Favored 'General case' 0 C--N 1.29 -1.99 0 CA-C-O 115.671 -2.109 . . . . 35.039999999999999 110.242 -178.953 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.1 m -83.99 -46.95 11.49 Favored 'General case' 0 C--O 1.259 1.569 0 CA-C-O 116.959 -1.496 . . . . 22.289999999999999 112.642 -176.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -100.75 -31.91 10.96 Favored 'General case' 0 N--CA 1.436 -1.175 0 N-CA-C 119.41 3.115 . . . . 27.210000000000001 119.41 -171.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' PHE . . . . . 0.448 ' N ' ' CD ' ' A' ' 37' ' ' PRO . 35.2 m-85 -137.92 57.24 12.73 Favored Pre-proline 0 C--N 1.312 -1.025 0 C-N-CA 125.975 1.71 . . . . 20.739999999999998 111.569 -176.2 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' PRO . . . . . 0.448 ' CD ' ' N ' ' A' ' 36' ' ' PHE . 9.7 Cg_endo -56.7 -28.12 74.06 Favored 'Trans proline' 0 C--O 1.283 2.733 0 C-N-CA 123.351 2.701 . . . . 24.989999999999998 116.795 -176.97 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 93.1 p -68.76 -18.36 64.2 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 119.666 -1.896 . . . . 28.52 109.228 179.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.1 mt -67.71 -22.19 65.27 Favored 'General case' 0 C--O 1.256 1.44 0 CA-C-O 113.769 -3.015 . . . . 29.969999999999999 110.141 -175.881 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 98.7 mt -94.54 12.42 27.48 Favored 'General case' 0 C--N 1.276 -2.593 0 O-C-N 126.991 2.682 . . . . 29.859999999999999 116.064 -178.209 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . 0.319 0.0 OUTLIER -99.13 3.48 46.61 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-O 125.089 2.376 . . . . 28.82 107.845 -178.853 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 132.27 155.36 7.93 Favored Glycine 0 N--CA 1.439 -1.164 0 CA-C-N 111.966 -2.379 . . . . 21.710000000000001 110.913 178.092 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' PRO . . . . . 0.431 ' HD2' ' O ' ' A' ' 132' ' ' HOH . 2.3 Cg_endo -87.11 1.43 68.15 Favored 'Cis proline' 0 C--O 1.202 -1.294 0 O-C-N 127.021 3.116 . . . . 15.51 112.054 -177.716 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.5 m -91.86 146.88 23.4 Favored 'General case' 0 C--O 1.265 1.87 0 N-CA-C 114.776 1.399 . . . . 18.129999999999999 114.776 -179.454 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 62.6 p -81.24 171.46 14.83 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 105.977 -1.86 . . . . 16.960000000000001 105.977 170.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -63.89 -41.31 97.75 Favored 'General case' 0 N--CA 1.51 2.548 0 CA-C-O 115.96 -1.971 . . . . 23.050000000000001 109.566 179.103 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASP . . . . . 0.426 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 91.3 m-20 -57.51 -42.64 83.2 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 125.674 1.859 . . . . 30.280000000000001 109.7 178.24 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -68.87 -42.02 77.57 Favored 'General case' 0 N--CA 1.426 -1.638 0 N-CA-C 114.78 1.4 . . . . 27.68 114.78 179.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.3 tp -61.74 -50.35 72.77 Favored 'General case' 0 CA--C 1.592 2.567 0 N-CA-C 106.779 -1.563 . . . . 25.460000000000001 106.779 177.162 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -52.36 -48.87 65.31 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 125.594 1.809 . . . . 16.960000000000001 112.072 179.455 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 122' ' ' HOH . 6.6 mm-40 -59.42 -35.55 74.21 Favored 'General case' 0 CA--C 1.469 -2.145 0 O-C-N 125.864 1.978 . . . . 43.140000000000001 112.227 179.893 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -70.79 -39.44 73.13 Favored 'General case' 0 CA--C 1.513 -0.474 0 O-C-N 118.249 -2.782 . . . . 33.079999999999998 115.514 178.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 87.7 mt -72.02 -37.51 69.76 Favored 'General case' 0 CA--C 1.579 2.091 0 C-N-CA 125.109 1.364 . . . . 20.530000000000001 111.657 -178.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -79.52 79.61 5.97 Favored 'General case' 0 N--CA 1.498 1.963 1 O-C-N 131.547 5.53 . . . . 16.030000000000001 110.407 -178.823 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -63.45 -45.59 90.18 Favored 'General case' 0 C--O 1.291 3.277 0 C-N-CA 125.261 1.424 . . . . 32.439999999999998 114.206 -178.525 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 31.2 p-10 -80.93 -1.84 45.22 Favored 'General case' 0 C--O 1.274 2.379 0 CA-C-O 113.486 -3.15 . . . . 24.289999999999999 110.582 -178.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.7 29.02 73.48 Favored Glycine 0 C--N 1.286 -2.228 0 CA-C-N 123.878 3.035 . . . . 21.43 116.928 177.766 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 58.6 p30 -91.74 1.9 56.85 Favored 'General case' 0 C--O 1.26 1.64 0 O-C-N 126.038 1.67 . . . . 19.190000000000001 114.44 178.522 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.63 12.78 81.2 Favored Glycine 0 C--O 1.269 2.322 0 CA-C-O 113.946 -3.697 . . . . 14.56 110.119 177.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -134.14 148.08 50.9 Favored 'General case' 0 C--N 1.259 -3.335 0 O-C-N 126.379 1.87 . . . . 14.869999999999999 108.976 -178.021 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 37.6 t -110.01 117.79 55.49 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.41 0 CA-C-O 124.117 1.913 . . . . 11.220000000000001 107.539 176.136 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 88.4 p -83.68 171.9 12.79 Favored 'General case' 0 CA--C 1.564 1.49 0 O-C-N 118.647 -2.533 . . . . 13.73 108.532 -179.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -63.59 -32.58 74.1 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 126.588 2.43 . . . . 19.300000000000001 109.492 177.753 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -65.28 -40.62 94.13 Favored 'General case' 0 N--CA 1.532 3.653 0 CA-C-O 126.726 3.155 . . . . 38.289999999999999 110.852 -179.75 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -68.34 -38.88 81.92 Favored 'General case' 0 N--CA 1.435 -1.22 0 O-C-N 118.008 -2.933 . . . . 17.489999999999998 111.681 -178.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -60.27 -27.01 66.91 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-N 113.011 -1.904 . . . . 23.75 112.139 179.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -52.36 -31.28 32.93 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 113.496 0.924 . . . . 28.09 113.496 179.916 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 128' ' ' HOH 0.286 2.1 t -56.15 -26.09 21.02 Favored 'Isoleucine or valine' 0 C--O 1.267 1.982 0 C-N-CA 118.705 -1.198 . . . . 27.600000000000001 108.722 -178.861 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.8 mt -81.61 -16.86 50.19 Favored 'General case' 0 C--O 1.247 0.972 0 O-C-N 118.493 -2.629 . . . . 28.239999999999998 115.112 -177.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.8 t -61.01 -35.51 65.78 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.322 0 CA-C-O 116.057 -1.925 . . . . 31.449999999999999 111.69 -174.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' LYS . . . . . 0.768 ' HG2' HE22 ' A' ' 75' ' ' GLN 0.283 1.8 tmmt? -59.7 -46.23 89.73 Favored 'General case' 0 N--CA 1.526 3.339 0 CA-C-N 121.844 2.111 . . . . 45.0 107.29 -178.156 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -55.92 -44.99 78.84 Favored 'General case' 0 C--O 1.255 1.383 0 C-N-CA 127.488 2.315 . . . . 41.539999999999999 112.772 178.499 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 31.0 mt -70.52 -39.78 76.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 C-N-CA 125.007 1.323 . . . . 42.350000000000001 114.508 179.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.9 m -74.2 -38.69 63.53 Favored 'General case' 0 C--O 1.248 0.983 0 C-N-CA 128.031 2.532 . . . . 49.090000000000003 113.367 -174.679 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' GLN . . . . . 0.768 HE22 ' HG2' ' A' ' 71' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.253 1.239 0 O-C-N 128.516 3.635 . . . . 54.520000000000003 113.768 -178.5 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud 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 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . 0.436 ' O ' ' HG2' ' A' ' 51' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . 0.434 ' O ' ' HG2' ' A' ' 11' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' HOH . . . . . 0.524 ' O ' HG23 ' A' ' 68' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 132' ' ' HOH . . . . . 0.431 ' O ' ' HD2' ' A' ' 43' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 C--O 1.263 1.8 0 CA-C-O 126.96 3.267 . . . . 31.059999999999999 111.91 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 52.6 mttm -136.82 143.74 43.29 Favored 'General case' 0 C--O 1.26 1.626 0 CA-C-N 112.025 -2.352 . . . . 30.629999999999999 109.622 -179.335 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.6 p -74.76 162.28 74.24 Favored Pre-proline 0 CA--C 1.593 2.601 0 O-C-N 126.031 2.082 . . . . 17.800000000000001 106.713 177.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -56.7 -42.27 66.78 Favored 'Trans proline' 0 C--N 1.291 -2.463 0 O-C-N 126.597 2.893 . . . . 16.859999999999999 108.993 177.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -61.82 -36.4 81.05 Favored 'General case' 0 C--O 1.28 2.694 0 CA-C-O 126.826 3.203 . . . . 24.539999999999999 112.663 178.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -70.47 -37.94 74.35 Favored 'General case' 0 C--O 1.238 0.486 1 O-C-N 113.224 -5.923 . . . . 30.280000000000001 109.967 178.199 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.9 tp -66.21 -39.2 89.44 Favored 'General case' 0 C--N 1.289 -2.028 0 O-C-N 120.25 -1.531 . . . . 23.449999999999999 108.774 177.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -64.87 -35.26 80.57 Favored 'General case' 0 C--O 1.294 3.415 0 C-N-CA 114.047 -3.061 . . . . 29.82 111.513 179.61 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.69 -30.54 76.47 Favored Glycine 0 C--O 1.289 3.568 0 C-N-CA 120.508 -0.854 . . . . 14.66 111.639 -179.774 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 79.0 mt -73.92 -48.26 39.52 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.324 0 N-CA-C 104.583 -2.376 . . . . 17.600000000000001 104.583 179.159 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -51.48 -54.18 29.77 Favored 'General case' 1 N--CA 1.553 4.716 0 O-C-N 128.788 3.805 . . . . 13.039999999999999 108.712 178.776 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 127' ' ' HOH . 95.9 mt-10 -51.81 -43.39 63.08 Favored 'General case' 0 CA--C 1.477 -1.847 0 N-CA-C 115.029 1.492 . . . . 26.859999999999999 115.029 -179.086 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.278 0.1 OUTLIER -62.73 -36.44 83.02 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.231 -1.543 . . . . 32.43 112.456 179.652 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -85.55 -31.66 22.57 Favored 'General case' 0 CA--C 1.581 2.136 0 CA-C-O 117.913 -1.041 . . . . 16.260000000000002 109.715 -178.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.01 -27.86 65.03 Favored 'General case' 0 C--O 1.302 3.846 0 O-C-N 127.633 3.083 . . . . 9.5899999999999999 109.587 -177.121 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.37 -0.83 43.05 Favored 'General case' 0 C--N 1.273 -2.719 0 O-C-N 116.403 -3.936 . . . . 13.25 112.433 -177.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -72.17 -30.77 65.31 Favored 'General case' 0 C--O 1.269 2.128 0 CA-C-N 123.856 3.026 . . . . 17.57 114.929 -176.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -155.59 163.58 39.77 Favored 'General case' 0 C--N 1.295 -1.799 0 C-N-CA 119.001 -1.08 . . . . 17.780000000000001 109.463 -176.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 46.59 -132.5 11.71 Favored Glycine 0 C--N 1.369 2.365 0 C-N-CA 116.907 -2.568 . . . . 10.94 118.749 177.619 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -58.4 116.5 15.19 Favored Pre-proline 0 C--O 1.288 3.129 1 CA-C-O 108.878 -5.344 . . . . 12.08 108.196 176.046 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . 0.361 33.7 Cg_endo -67.85 -16.42 45.74 Favored 'Trans proline' 1 C--N 1.26 -4.129 1 O-C-N 133.573 6.565 . . . . 12.74 108.625 -178.276 . . . . . . . . 4 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -108.72 2.52 21.88 Favored 'General case' 0 C--O 1.301 3.779 0 CA-C-O 115.204 -2.332 . . . . 23.199999999999999 111.198 -174.089 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -131.87 158.3 41.7 Favored 'General case' 0 N--CA 1.41 -2.453 0 CA-C-N 121.021 1.737 . . . . 13.08 113.831 179.349 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.5 mt -95.62 130.64 42.43 Favored 'General case' 0 C--O 1.261 1.674 0 C-N-CA 119.146 -1.022 . . . . 11.300000000000001 112.555 -179.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . 0.276 87.5 p -81.94 170.89 15.07 Favored 'General case' 0 CA--C 1.585 2.323 0 N-CA-C 105.689 -1.967 . . . . 13.74 105.689 169.974 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -60.84 -41.64 96.2 Favored 'General case' 0 C--N 1.28 -2.419 0 CA-C-O 115.185 -2.341 . . . . 21.98 107.09 179.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -63.39 -40.3 96.84 Favored 'General case' 0 C--O 1.281 2.732 0 CA-C-O 125.482 2.563 . . . . 40.170000000000002 111.681 -178.675 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -63.63 -38.32 90.68 Favored 'General case' 0 C--O 1.278 2.579 0 CA-C-O 116.244 -1.836 . . . . 10.369999999999999 111.043 176.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.0 tp -64.88 -42.52 94.73 Favored 'General case' 0 C--O 1.258 1.545 0 CA-C-N 121.329 1.877 . . . . 15.98 106.025 -179.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -56.46 -50.62 71.2 Favored 'General case' 0 C--O 1.287 3.033 0 O-C-N 127.37 2.919 . . . . 33.609999999999999 110.107 178.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.2 mt -58.61 -45.64 88.73 Favored 'General case' 0 C--O 1.278 2.563 0 CA-C-N 120.941 1.7 . . . . 14.76 111.792 179.026 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.9 tt -60.11 -52.8 63.8 Favored 'General case' 0 N--CA 1.484 1.259 1 CA-C-O 110.506 -4.569 . . . . 14.93 109.333 -179.918 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.9 mt -61.54 -49.06 78.21 Favored 'General case' 0 C--N 1.291 -1.973 1 O-C-N 129.19 4.056 . . . . 17.300000000000001 110.907 -176.685 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -60.13 -39.48 86.44 Favored 'General case' 0 C--N 1.29 -1.99 0 CA-C-O 115.671 -2.109 . . . . 35.039999999999999 110.242 -178.953 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.1 m -83.99 -46.95 11.49 Favored 'General case' 0 C--O 1.259 1.569 0 CA-C-O 116.959 -1.496 . . . . 22.289999999999999 112.642 -176.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -100.75 -31.91 10.96 Favored 'General case' 0 N--CA 1.436 -1.175 0 N-CA-C 119.41 3.115 . . . . 27.210000000000001 119.41 -171.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.448 ' N ' ' CD ' ' A' ' 37' ' ' PRO . 35.2 m-85 -137.92 57.24 12.73 Favored Pre-proline 0 C--N 1.312 -1.025 0 C-N-CA 125.975 1.71 . . . . 20.739999999999998 111.569 -176.2 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.448 ' CD ' ' N ' ' A' ' 36' ' ' PHE . 9.7 Cg_endo -56.7 -28.12 74.06 Favored 'Trans proline' 0 C--O 1.283 2.733 0 C-N-CA 123.351 2.701 . . . . 24.989999999999998 116.795 -176.97 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 93.1 p -68.76 -18.36 64.2 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 119.666 -1.896 . . . . 28.52 109.228 179.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.1 mt -67.71 -22.19 65.27 Favored 'General case' 0 C--O 1.256 1.44 0 CA-C-O 113.769 -3.015 . . . . 29.969999999999999 110.141 -175.881 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 98.7 mt -94.54 12.42 27.48 Favored 'General case' 0 C--N 1.276 -2.593 0 O-C-N 126.991 2.682 . . . . 29.859999999999999 116.064 -178.209 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . 0.319 0.0 OUTLIER -99.13 3.48 46.61 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-O 125.089 2.376 . . . . 28.82 107.845 -178.853 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 132.27 155.36 7.93 Favored Glycine 0 N--CA 1.439 -1.164 0 CA-C-N 111.966 -2.379 . . . . 21.710000000000001 110.913 178.092 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.431 ' HD2' ' O ' ' A' ' 132' ' ' HOH . 2.3 Cg_endo -87.11 1.43 68.15 Favored 'Cis proline' 0 C--O 1.202 -1.294 0 O-C-N 127.021 3.116 . . . . 15.51 112.054 -177.716 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.5 m -91.86 146.88 23.4 Favored 'General case' 0 C--O 1.265 1.87 0 N-CA-C 114.776 1.399 . . . . 18.129999999999999 114.776 -179.454 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 62.6 p -81.24 171.46 14.83 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 105.977 -1.86 . . . . 16.960000000000001 105.977 170.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -63.89 -41.31 97.75 Favored 'General case' 0 N--CA 1.51 2.548 0 CA-C-O 115.96 -1.971 . . . . 23.050000000000001 109.566 179.103 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.426 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 91.3 m-20 -57.51 -42.64 83.2 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 125.674 1.859 . . . . 30.280000000000001 109.7 178.24 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -68.87 -42.02 77.57 Favored 'General case' 0 N--CA 1.426 -1.638 0 N-CA-C 114.78 1.4 . . . . 27.68 114.78 179.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.3 tp -61.74 -50.35 72.77 Favored 'General case' 0 CA--C 1.592 2.567 0 N-CA-C 106.779 -1.563 . . . . 25.460000000000001 106.779 177.162 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -52.36 -48.87 65.31 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 125.594 1.809 . . . . 16.960000000000001 112.072 179.455 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 122' ' ' HOH . 6.6 mm-40 -59.42 -35.55 74.21 Favored 'General case' 0 CA--C 1.469 -2.145 0 O-C-N 125.864 1.978 . . . . 43.140000000000001 112.227 179.893 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -70.79 -39.44 73.13 Favored 'General case' 0 CA--C 1.513 -0.474 0 O-C-N 118.249 -2.782 . . . . 33.079999999999998 115.514 178.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 87.7 mt -72.02 -37.51 69.76 Favored 'General case' 0 CA--C 1.579 2.091 0 C-N-CA 125.109 1.364 . . . . 20.530000000000001 111.657 -178.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -79.52 79.61 5.97 Favored 'General case' 0 N--CA 1.498 1.963 1 O-C-N 131.547 5.53 . . . . 16.030000000000001 110.407 -178.823 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -63.45 -45.59 90.18 Favored 'General case' 0 C--O 1.291 3.277 0 C-N-CA 125.261 1.424 . . . . 32.439999999999998 114.206 -178.525 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 31.2 p-10 -80.93 -1.84 45.22 Favored 'General case' 0 C--O 1.274 2.379 0 CA-C-O 113.486 -3.15 . . . . 24.289999999999999 110.582 -178.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.7 29.02 73.48 Favored Glycine 0 C--N 1.286 -2.228 0 CA-C-N 123.878 3.035 . . . . 21.43 116.928 177.766 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 58.6 p30 -91.74 1.9 56.85 Favored 'General case' 0 C--O 1.26 1.64 0 O-C-N 126.038 1.67 . . . . 19.190000000000001 114.44 178.522 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.63 12.78 81.2 Favored Glycine 0 C--O 1.269 2.322 0 CA-C-O 113.946 -3.697 . . . . 14.56 110.119 177.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -134.14 148.08 50.9 Favored 'General case' 0 C--N 1.259 -3.335 0 O-C-N 126.379 1.87 . . . . 14.869999999999999 108.976 -178.021 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 37.6 t -110.01 117.79 55.49 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.41 0 CA-C-O 124.117 1.913 . . . . 11.220000000000001 107.539 176.136 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 88.4 p -83.68 171.9 12.79 Favored 'General case' 0 CA--C 1.564 1.49 0 O-C-N 118.647 -2.533 . . . . 13.73 108.532 -179.146 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -63.59 -32.58 74.1 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 126.588 2.43 . . . . 19.300000000000001 109.492 177.753 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -65.28 -40.62 94.13 Favored 'General case' 0 N--CA 1.532 3.653 0 CA-C-O 126.726 3.155 . . . . 38.289999999999999 110.852 -179.75 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -68.34 -38.88 81.92 Favored 'General case' 0 N--CA 1.435 -1.22 0 O-C-N 118.008 -2.933 . . . . 17.489999999999998 111.681 -178.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -60.27 -27.01 66.91 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-N 113.011 -1.904 . . . . 23.75 112.139 179.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -52.36 -31.28 32.93 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 113.496 0.924 . . . . 28.09 113.496 179.916 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 128' ' ' HOH 0.286 2.1 t -56.15 -26.09 21.02 Favored 'Isoleucine or valine' 0 C--O 1.267 1.982 0 C-N-CA 118.705 -1.198 . . . . 27.600000000000001 108.722 -178.861 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.8 mt -81.61 -16.86 50.19 Favored 'General case' 0 C--O 1.247 0.972 0 O-C-N 118.493 -2.629 . . . . 28.239999999999998 115.112 -177.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.8 t -61.01 -35.51 65.78 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.322 0 CA-C-O 116.057 -1.925 . . . . 31.449999999999999 111.69 -174.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.768 ' HG2' HE22 ' A' ' 75' ' ' GLN 0.283 1.8 tmmt? -59.7 -46.23 89.73 Favored 'General case' 0 N--CA 1.526 3.339 0 CA-C-N 121.844 2.111 . . . . 45.0 107.29 -178.156 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -55.92 -44.99 78.84 Favored 'General case' 0 C--O 1.255 1.383 0 C-N-CA 127.488 2.315 . . . . 41.539999999999999 112.772 178.499 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 31.0 mt -70.52 -39.78 76.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 C-N-CA 125.007 1.323 . . . . 42.350000000000001 114.508 179.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.9 m -74.2 -38.69 63.53 Favored 'General case' 0 C--O 1.248 0.983 0 C-N-CA 128.031 2.532 . . . . 49.090000000000003 113.367 -174.679 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.768 HE22 ' HG2' ' A' ' 71' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.253 1.239 0 O-C-N 128.516 3.635 . . . . 54.520000000000003 113.768 -178.5 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 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 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . 0.436 ' O ' ' HG2' ' A' ' 51' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . 0.434 ' O ' ' HG2' ' A' ' 11' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' HOH . . . . . 0.524 ' O ' HG23 ' A' ' 68' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' HOH . . . . . 0.431 ' O ' ' HD2' ' A' ' 43' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_