data_3r47_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 3r47 _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' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.256 . . . . . . . . 43.859999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' GLY . . . . . 0.438 ' CA ' ' O ' ' C' ' 109' ' ' HOH . . . 109.18 161.13 19.57 Favored Glycine 0 CA--C 1.519 0.332 0 O-C-N 123.618 0.574 . . . . 39.920000000000002 114.059 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -73.76 -32.45 63.82 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.116 0.566 . . . . 50.310000000000002 111.569 -173.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 92.9 mt -68.17 -35.12 77.53 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.064 0.394 . . . . 34.560000000000002 112.064 175.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -63.5 -47.11 83.08 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 123.921 0.888 . . . . 63.979999999999997 110.65 173.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.42 -48.16 62.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.68 -0.691 . . . . 38.399999999999999 110.838 174.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.4 mt -60.96 -45.55 98.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-N 115.969 -0.56 . . . . 36.710000000000001 110.774 178.396 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.41 -31.41 72.61 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.892 0.377 . . . . 35.060000000000002 111.663 179.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -71.99 -35.26 69.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.954 0.407 . . . . 64.099999999999994 112.023 179.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -76.09 -28.72 57.66 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 108.645 -0.872 . . . . 50.060000000000002 108.645 -178.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.8 mt -72.18 -30.86 65.38 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 119.828 -0.749 . . . . 34.189999999999998 110.948 176.115 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -63.63 -44.68 93.17 Favored 'General case' 0 C--O 1.241 0.633 0 CA-C-O 121.438 0.637 . . . . 71.230000000000004 110.136 173.831 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.53 -42.88 99.47 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 108.732 -0.84 . . . . 37.57 108.732 179.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.8 mt -60.29 -50.12 81.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 108.769 -0.826 . . . . 36.189999999999998 108.769 -178.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.5 -36.34 66.57 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 123.679 0.612 . . . . 38.5 110.749 -179.024 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -63.66 -51.52 64.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.389 -0.823 . . . . 64.159999999999997 111.888 178.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -61.85 -37.57 84.99 Favored 'General case' 0 C--O 1.213 -0.848 0 C-N-CA 120.602 -0.439 . . . . 54.869999999999997 111.24 -178.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.5 mt -67.48 -24.29 65.58 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.586 -0.445 . . . . 31.039999999999999 111.036 176.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -68.52 -49.91 56.08 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 116.416 -0.356 . . . . 60.039999999999999 110.345 172.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.97 -43.19 77.34 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 116.23 -0.441 . . . . 33.659999999999997 111.839 176.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.78 -34.69 71.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.165 0.507 . . . . 27.809999999999999 110.372 179.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.19 -40.49 90.46 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 115.439 -0.8 . . . . 34.770000000000003 109.726 -179.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 61.3 t-105 -67.13 -42.3 84.68 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.207 -0.906 . . . . 52.200000000000003 111.319 -179.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -63.13 -40.58 98.0 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.064 0.394 . . . . 62.149999999999999 112.064 179.84 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -65.35 -46.3 80.74 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.659 -0.497 . . . . 62.130000000000003 109.659 175.238 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -52.84 -42.92 65.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.835 -0.62 . . . . 55.780000000000001 110.246 175.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.32 -56.89 16.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.84 -0.618 . . . . 48.710000000000001 112.067 175.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.5 mt -46.23 -49.46 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.894 -0.41 . . . . 65.510000000000005 109.894 -179.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.87 -70.14 0.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.741 -0.384 . . . . 68.420000000000002 111.065 174.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 . . . . . 0 C--N 1.327 -0.399 0 C-N-CA 119.935 -0.706 . . . . 53.140000000000001 111.716 178.769 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.166 . . . . . . . . 35.579999999999998 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . 103.99 153.2 23.07 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 112.028 -0.429 . . . . 40.479999999999997 112.028 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -79.09 -21.57 46.51 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 119.813 -0.755 . . . . 39.75 112.191 -178.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 65.2 mt -79.6 -41.93 26.05 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.122 0.487 . . . . 32.939999999999998 109.72 173.041 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -56.12 -45.67 79.41 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.62 -0.882 . . . . 66.189999999999998 108.62 174.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.43 -45.62 93.53 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.895 -0.78 . . . . 32.939999999999998 108.895 -177.9 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 39.1 mt -55.14 -47.77 76.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 119.92 -0.712 . . . . 35.310000000000002 110.354 179.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.67 -35.2 63.31 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.347 0.869 . . . . 30.329999999999998 113.347 174.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -68.26 -39.39 82.24 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.274 0.559 . . . . 56.899999999999999 110.531 -177.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -69.41 -33.08 72.47 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.442 -0.799 . . . . 39.100000000000001 110.925 179.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.61 -32.85 70.35 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 109.698 -0.482 . . . . 36.240000000000002 109.698 175.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -64.11 -46.62 83.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.696 -0.683 . . . . 58.149999999999999 109.402 176.63 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.76 -35.27 77.62 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.367 -0.605 . . . . 34.939999999999998 109.367 178.799 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 70.2 mt -64.55 -52.27 57.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-N 115.955 -0.566 . . . . 33.390000000000001 111.041 -177.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.94 -34.7 63.46 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.747 0.819 . . . . 31.359999999999999 112.362 175.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 38.3 tttp -62.9 -49.2 75.75 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 116.204 -0.453 . . . . 61.82 111.01 177.028 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -63.23 -42.94 99.29 Favored 'General case' 0 CA--C 1.527 0.075 0 N-CA-C 112.089 0.404 . . . . 39.390000000000001 112.089 176.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 50.9 mt -62.67 -31.87 72.84 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 119.845 -0.742 . . . . 29.449999999999999 110.066 -179.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -68.49 -45.2 73.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.739 0.78 . . . . 68.640000000000001 108.91 -179.317 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.39 -38.69 77.84 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 114.99 -1.005 . . . . 32.030000000000001 110.023 175.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 87.3 mt -71.4 -41.08 73.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.273 -0.421 . . . . 34.979999999999997 110.916 -179.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.67 -37.07 75.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.933 0.396 . . . . 42.969999999999999 110.235 179.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' TRP . . . . . . . . . . . . . 75.9 t-105 -71.38 -47.56 55.47 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.298 -0.864 . . . . 67.420000000000002 112.066 -178.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -62.73 -23.24 67.07 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 123.213 0.321 . . . . 63.380000000000003 111.129 -179.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -75.07 -44.96 44.55 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.652 -0.499 . . . . 71.370000000000005 109.652 171.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt -63.46 -18.65 63.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 69.840000000000003 109.981 173.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -94.65 -2.6 51.01 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.678 0.992 . . . . 69.939999999999998 113.678 178.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 27.3 pt . . . . . 0 N--CA 1.468 0.466 0 CA-C-O 121.17 0.51 . . . . 76.670000000000002 111.847 175.828 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.403 . . . . . . . . 52.530000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . 60.41 -134.72 50.08 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 116.181 1.232 . . . . 46.210000000000001 116.181 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -77.2 -36.01 55.25 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-O 121.211 0.529 . . . . 58.07 112.224 -171.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 47.7 mt -68.13 -34.13 75.79 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.728 -0.669 . . . . 39.539999999999999 109.337 176.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -63.02 -52.74 61.72 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.76 -0.654 . . . . 61.710000000000001 110.156 173.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.14 -31.34 41.84 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.275 0.56 . . . . 36.219999999999999 111.471 179.666 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 60.2 mt -73.41 -42.67 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 115.768 -0.651 . . . . 34.399999999999999 110.412 -179.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.49 96.38 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 120.418 -0.513 . . . . 34.909999999999997 112.338 177.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -68.4 -34.56 76.23 Favored 'General case' 0 C--O 1.243 0.751 0 N-CA-C 112.809 0.67 . . . . 49.899999999999999 112.809 -179.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -66.38 -42.1 88.43 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 119.988 -0.685 . . . . 51.93 110.216 172.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' LEU . . . . . . . . . . . . . 32.7 mt -58.27 -43.6 88.03 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-O 121.372 0.606 . . . . 27.690000000000001 110.29 176.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 12.9 ttmt -58.36 -50.72 72.65 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.192 -1.41 . . . . 49.549999999999997 107.192 -178.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.62 -36.91 74.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.884 -0.598 . . . . 30.84 110.852 -179.537 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 78.6 mt -65.09 -46.35 91.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-O 121.764 0.792 . . . . 26.699999999999999 111.249 179.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.48 -40.59 75.18 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 115.132 -0.94 . . . . 32.07 110.67 176.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -64.46 -44.13 92.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.672 -0.24 . . . . 61.439999999999998 111.234 -179.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -68.39 -33.71 74.72 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.082 0.401 . . . . 40.090000000000003 112.082 179.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 18.2 mt -62.74 -38.32 90.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.985 0.421 . . . . 26.890000000000001 110.634 175.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -66.96 -34.23 77.32 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.193 -0.912 . . . . 46.82 110.105 179.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.24 -46.15 81.74 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.258 -0.428 . . . . 35.210000000000001 110.144 177.072 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 87.3 mt -59.58 -46.38 93.17 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.284 0 C-N-CA 120.565 -0.454 . . . . 32.740000000000002 110.773 178.658 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.31 -43.72 83.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.952 0.406 . . . . 42.909999999999997 111.465 -179.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 22' ' ' TRP . . . . . . . . . . . . . 63.6 t-105 -57.64 -44.1 85.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.18 -0.464 . . . . 42.82 111.769 178.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -67.08 -32.31 73.39 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.799 0.666 . . . . 46.530000000000001 112.799 -179.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 24' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -65.78 -51.58 57.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.96 0.41 . . . . 63.380000000000003 110.239 175.089 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -57.18 -30.43 64.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.856 -0.611 . . . . 65.959999999999994 111.413 178.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.71 4.43 36.67 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.663 0.616 . . . . 76.730000000000004 112.663 -171.183 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 27' ' ' ILE . . . . . . . . . . . . . 12.3 pt -102.7 113.4 39.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-O 120.947 0.403 . . . . 77.049999999999997 111.238 172.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 115.989 -0.55 . . . . 71.840000000000003 111.034 177.518 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.082 . . . . . . . . 38.409999999999997 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . 108.12 165.61 21.31 Favored Glycine 0 C--N 1.33 0.24 0 N-CA-C 116.065 1.186 . . . . 35.950000000000003 116.065 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -69.9 -33.36 72.08 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.802 0.441 . . . . 52.399999999999999 112.037 -177.864 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 3' ' ' LEU . . . . . . . . . . . . . 85.5 mt -69.14 -38.34 78.77 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 123.236 0.335 . . . . 36.880000000000003 111.793 177.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -65.78 -37.46 86.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.259 -0.428 . . . . 65.299999999999997 110.406 174.101 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.38 -47.92 83.99 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.545 -0.539 . . . . 34.869999999999997 109.545 177.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 6' ' ' ILE . . . . . . . . . . . . . 74.5 mt -56.69 -48.65 80.46 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 115.451 -0.795 . . . . 32.549999999999997 113.139 174.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.85 -28.9 69.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.48 -0.327 . . . . 36.700000000000003 111.664 179.046 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 8' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -78.74 -33.98 46.17 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 112.205 0.446 . . . . 66.140000000000001 112.205 -177.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 9' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -69.91 -32.83 71.35 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.001 -0.74 . . . . 43.82 109.001 175.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 10' ' ' LEU . . . . . . . . . . . . . 61.9 mt -70.74 -23.46 62.44 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 109.576 -0.527 . . . . 35.799999999999997 109.576 178.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 11' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -78.49 -37.5 43.09 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 107.777 -1.194 . . . . 73.420000000000002 107.777 178.27 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.66 -38.52 83.9 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.323 0.582 . . . . 28.710000000000001 109.498 178.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 56.8 mt -63.64 -46.56 94.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 CA-C-N 115.879 -0.6 . . . . 31.329999999999998 111.466 178.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.91 -35.04 68.55 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.518 -0.31 . . . . 34.740000000000002 111.575 177.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 46.0 tttm -64.92 -53.17 50.67 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.302 -0.408 . . . . 51.420000000000002 111.042 -177.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -59.44 -44.62 92.91 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 113.266 0.839 . . . . 44.159999999999997 113.266 177.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 mt -52.51 -47.06 66.85 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.591 0.71 . . . . 36.189999999999998 110.566 172.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 18' ' ' LYS . . . . . . . . . . . . . 38.1 tttp -56.17 -42.48 77.12 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 115.155 -0.93 . . . . 56.159999999999997 109.246 179.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.14 -42.44 80.13 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.207 0.527 . . . . 38.100000000000001 112.105 -178.63 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 67.7 mt -62.94 -39.32 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.616 0 N-CA-C 108.978 -0.749 . . . . 40.18 108.978 174.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.66 92.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 37.609999999999999 110.345 179.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 22' ' ' TRP . . . . . . . . . . . . . 27.9 t-105 -72.6 -23.8 61.0 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 112.219 0.451 . . . . 65.480000000000004 112.219 178.782 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 23' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -66.66 -45.02 80.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.574 -0.284 . . . . 66.859999999999999 111.239 173.661 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 24' ' ' HIS . . . . . . . . . . . . . 56.8 m-70 -63.21 -35.17 79.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.339 -0.391 . . . . 71.629999999999995 111.86 178.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 25' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -66.93 -40.52 87.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.748 0.309 . . . . 69.150000000000006 111.202 179.028 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.42 -38.55 90.12 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 121.162 0.506 . . . . 61.780000000000001 112.013 179.058 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 27' ' ' ILE . . . . . . . . . . . . . 32.0 mt -65.0 -45.95 93.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 109.314 -0.624 . . . . 76.0 109.314 174.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.09 -22.74 11.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.416 -0.356 . . . . 58.119999999999997 110.232 178.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 56.859999999999999 111.09 176.875 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.493 . . . . . . . . 42.590000000000003 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 1' ' ' GLY . . . . . 0.437 ' CA ' ' O ' ' F' ' 51' ' ' HOH . . . 146.22 176.82 20.4 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.4 -0.68 . . . . 45.390000000000001 111.4 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' F' F ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -83.06 -42.91 16.9 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 109.808 -0.441 . . . . 56.159999999999997 109.808 166.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -47.75 82.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 36.100000000000001 110.653 176.33 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' F' F ' 4' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -52.83 -41.58 64.35 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 121.182 0.515 . . . . 73.819999999999993 110.622 174.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.56 -36.09 80.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.676 -0.693 . . . . 34.82 111.261 -178.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 6' ' ' ILE . . . . . . . . . . . . . 52.4 mt -64.45 -41.07 91.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-O 121.053 0.454 . . . . 34.479999999999997 110.287 177.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.76 -35.95 81.47 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.098 0.407 . . . . 32.399999999999999 112.098 177.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.12 -41.64 81.41 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 111.659 0.244 . . . . 74.269999999999996 111.659 -179.77 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' F' F ' 9' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -66.63 -38.36 86.76 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 116.184 -0.462 . . . . 44.729999999999997 110.718 176.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 10' ' ' LEU . . . . . . . . . . . . . 41.7 mt -65.28 -31.63 72.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.178 0.513 . . . . 33.460000000000001 109.725 177.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 11' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -71.04 -35.46 71.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.745 -0.662 . . . . 82.420000000000002 109.372 178.335 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.17 -38.1 84.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.636 -0.711 . . . . 33.740000000000002 110.855 175.209 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 13' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.16 -48.54 87.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 CA-C-N 115.946 -0.57 . . . . 28.73 110.602 178.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.34 -39.18 63.92 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 115.733 -0.667 . . . . 27.989999999999998 111.535 175.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 31.0 tttm -69.11 -43.91 73.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.074 -0.512 . . . . 56.960000000000001 110.956 -175.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 16' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -67.86 -35.12 77.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.904 0.383 . . . . 40.240000000000002 110.871 178.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.29 -37.44 87.16 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.716 -0.675 . . . . 31.600000000000001 109.846 178.163 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 48.0 tttp -68.42 -28.05 66.74 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.384 -0.825 . . . . 62.600000000000001 111.56 178.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.85 -37.63 62.19 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.364 -0.38 . . . . 43.659999999999997 111.318 177.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 2.9 mt -63.15 -39.15 84.13 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 CA-C-N 115.994 -0.548 . . . . 37.630000000000003 110.871 176.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.35 -26.94 62.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.187 0.518 . . . . 37.939999999999998 110.292 -177.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 22' ' ' TRP . . . . . 0.451 ' CH2' ' CZ2' ' I' ' 22' ' ' TRP . 76.2 t-105 -71.92 -45.06 62.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.219 -0.901 . . . . 62.299999999999997 111.764 179.559 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' F' F ' 23' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -64.47 -42.88 95.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.505 . . . . 59.310000000000002 109.74 175.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 24' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -60.77 -37.26 81.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.058 -0.519 . . . . 63.289999999999999 110.664 176.181 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.21 -32.73 74.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.984 0.421 . . . . 64.890000000000001 109.968 179.064 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' F' F ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.54 -49.08 70.26 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.886 -0.597 . . . . 62.43 111.987 175.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 27' ' ' ILE . . . . . . . . . . . . . 27.2 pt -59.38 -70.14 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 119.584 -0.847 . . . . 73.400000000000006 111.373 173.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 N-CA-C 112.218 0.451 . . . . 61.100000000000001 112.218 -174.124 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.42 . . . . . . . . 42.109999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . 107.48 162.24 21.52 Favored Glycine 0 CA--C 1.519 0.339 0 N-CA-C 114.158 0.423 . . . . 36.700000000000003 114.158 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 2' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -78.78 -26.9 44.48 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.832 1.049 . . . . 57.329999999999998 113.832 -178.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 3' ' ' LEU . . . . . . . . . . . . . 47.3 mt -65.39 -41.87 93.24 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.04 -0.664 . . . . 27.57 111.073 168.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 4' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -60.7 -42.4 97.09 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.085 0.402 . . . . 63.420000000000002 112.085 177.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.43 -29.9 70.14 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 120.877 0.37 . . . . 33.579999999999998 110.745 178.385 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 6' ' ' ILE . . . . . . . . . . . . . 31.1 mt -69.63 -39.84 78.72 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.35 0 CA-C-N 116.251 -0.431 . . . . 31.07 111.285 176.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.12 -33.09 75.19 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 112.102 0.408 . . . . 30.16 112.102 174.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -41.73 89.55 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.782 0.833 . . . . 58.57 112.434 -179.403 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' G' G ' 9' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -69.33 -40.5 77.54 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 115.141 -0.936 . . . . 52.289999999999999 110.64 176.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 10' ' ' LEU . . . . . . . . . . . . . 68.1 mt -63.18 -26.55 68.86 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 120.582 -0.447 . . . . 29.800000000000001 111.368 175.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 11' ' ' LYS . . . . . . . . . . . . . 15.7 tttm -79.02 -37.56 38.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.378 0.609 . . . . 59.799999999999997 109.853 -176.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.15 -33.97 74.26 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.114 -0.948 . . . . 36.270000000000003 109.112 178.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 13' ' ' ILE . . . . . . . . . . . . . 41.3 mt -68.7 -39.95 80.94 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.615 0 CA-C-N 115.362 -0.835 . . . . 34.359999999999999 109.888 -179.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.43 -34.87 78.7 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 123.862 0.726 . . . . 30.66 112.487 -178.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.46 -38.65 29.6 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 123.568 0.542 . . . . 70.430000000000007 112.209 -176.665 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' G' G ' 16' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -54.93 -42.45 72.29 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 116.317 -0.401 . . . . 45.990000000000002 110.336 167.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 41.2 mt -70.25 -33.76 72.02 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 121.344 0.593 . . . . 31.469999999999999 110.187 179.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 18' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -57.36 -47.16 82.34 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.254 -0.885 . . . . 55.060000000000002 108.771 174.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.47 -49.37 66.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.243 -0.435 . . . . 46.43 111.698 -175.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 20' ' ' ILE . . . . . . . . . . . . . 92.7 mt -55.19 -44.92 76.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.122 -0.49 . . . . 38.670000000000002 110.821 176.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.32 -34.53 68.84 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 108.831 -0.803 . . . . 41.479999999999997 108.831 179.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 22' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -73.43 -41.1 63.68 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.614 -0.721 . . . . 75.920000000000002 112.188 -179.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 23' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -54.64 -49.64 70.06 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 123.238 0.336 . . . . 62.640000000000001 110.981 174.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 24' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 -58.63 -37.37 75.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.782 0.325 . . . . 57.880000000000003 111.557 179.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 25' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -69.59 -44.01 71.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 69.120000000000005 110.663 179.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.46 -51.8 61.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.855 -0.612 . . . . 61.520000000000003 109.691 177.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 27' ' ' ILE . . . . . . . . . . . . . 1.6 mm -55.19 -20.39 6.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.553 -0.749 . . . . 69.340000000000003 111.938 179.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.52 4.05 29.7 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.799 -0.445 . . . . 82.859999999999999 109.799 177.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 29' ' ' GLN . . . . . . . . . . . . . 51.8 mm-40 . . . . . 0 C--N 1.329 -0.296 0 N-CA-C 112.225 0.454 . . . . 64.079999999999998 112.225 172.537 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.261 . . . . . . . . 39.270000000000003 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 1' ' ' GLY . . . . . 0.485 ' CA ' ' O ' ' H' ' 78' ' ' HOH . . . 149.0 172.36 18.66 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 110.197 -1.161 . . . . 47.539999999999999 110.197 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' H' H ' 2' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -85.01 -33.33 22.57 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 106.072 -1.825 . . . . 56.979999999999997 106.072 171.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.63 -41.09 98.3 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.089 -0.96 . . . . 41.189999999999998 111.756 174.762 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' H' H ' 4' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -58.43 -50.41 73.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 53.619999999999997 110.588 174.18 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.17 -43.22 70.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.729 -0.669 . . . . 35.82 111.562 179.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 6' ' ' ILE . . . . . . . . . . . . . 50.5 mt -63.31 -44.73 99.25 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-N 116.129 -0.487 . . . . 33.520000000000003 112.18 176.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.15 -40.08 94.78 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.49 -0.484 . . . . 31.07 110.795 178.105 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 8' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -66.54 -32.66 74.14 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.568 0.581 . . . . 69.319999999999993 112.568 178.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 9' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -74.44 -33.56 62.97 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.492 -0.483 . . . . 53.399999999999999 110.694 177.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 10' ' ' LEU . . . . . . . . . . . . . 51.6 mt -69.76 -30.89 68.58 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 120.52 -0.472 . . . . 35.520000000000003 110.793 173.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 11' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -63.15 -46.77 85.62 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.486 -0.486 . . . . 54.049999999999997 109.911 175.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.11 -39.58 82.72 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.892 -0.595 . . . . 40.840000000000003 109.81 179.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 13' ' ' ILE . . . . . . . . . . . . . 48.9 mt -67.12 -48.97 77.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 110.167 -0.309 . . . . 31.27 110.167 -174.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.08 -36.31 60.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.355 0.598 . . . . 34.729999999999997 109.62 177.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 12.6 tttm -62.74 -50.71 70.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.443 -0.799 . . . . 58.859999999999999 112.392 176.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 16' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -64.2 -25.56 68.13 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 120.841 -0.344 . . . . 49.25 111.569 -178.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 59.0 mt -75.31 -34.32 61.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.893 0.378 . . . . 30.829999999999998 110.023 177.017 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 18' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -64.24 -42.49 96.5 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 115.856 -0.611 . . . . 60.649999999999999 111.498 177.279 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.79 -44.59 92.87 Favored 'General case' 0 C--N 1.334 -0.089 0 N-CA-C 112.593 0.59 . . . . 36.740000000000002 112.593 176.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 20' ' ' ILE . . . . . . . . . . . . . 64.3 mt -62.01 -39.44 83.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.482 -0.326 . . . . 35.549999999999997 110.657 177.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.4 -36.38 82.7 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 120.956 0.408 . . . . 37.210000000000001 109.924 -179.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 22' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -66.98 -44.92 79.17 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.234 -0.894 . . . . 60.200000000000003 111.328 177.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 23' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -62.16 -35.22 78.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.729 0.299 . . . . 70.700000000000003 111.759 177.405 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 24' ' ' HIS . . . . . . . . . . . . . 54.7 m-70 -67.37 -34.38 77.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.94 0.4 . . . . 72.859999999999999 110.449 175.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 25' ' ' LYS . . . . . . . . . . . . . 42.4 tttp -65.48 -34.63 78.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.81 -0.632 . . . . 50.649999999999999 109.877 179.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.53 -48.5 72.27 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.405 -0.816 . . . . 65.599999999999994 112.106 178.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 27' ' ' ILE . . . . . . . . . . . . . 44.4 mt -46.09 -61.99 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 64.420000000000002 110.329 176.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 28' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' J' ' 149' ' ' HOH . . . -48.75 -56.17 9.38 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.367 0.506 . . . . 80.939999999999998 112.367 -178.396 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' H' H ' 29' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -80.03 -1.46 39.88 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.426 -0.51 . . . . 74.010000000000005 110.902 -177.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 CA-C-N 116.171 -0.468 . . . . 62.130000000000003 112.506 178.049 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.569 . . . . . . . . 38.880000000000003 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . 109.18 154.31 15.83 Favored Glycine 0 CA--C 1.519 0.344 0 N-CA-C 114.816 0.686 . . . . 35.979999999999997 114.816 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 2' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -79.02 -23.04 44.62 Favored 'General case' 0 C--O 1.223 -0.324 0 C-N-CA 122.889 0.476 . . . . 48.030000000000001 111.923 -175.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 3' ' ' LEU . . . . . . . . . . . . . 94.9 mt -81.45 -35.27 30.78 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.348 0.594 . . . . 38.729999999999997 111.336 177.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 4' ' ' LYS . . . . . . . . . . . . . 10.2 tppt? -64.11 -37.06 86.07 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 109.005 -0.739 . . . . 65.609999999999999 109.005 173.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.72 -48.87 75.33 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 108.378 -0.971 . . . . 34.32 108.378 -179.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 6' ' ' ILE . . . . . . . . . . . . . 16.6 mt -51.35 -45.76 33.62 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 CA-C-N 115.754 -0.657 . . . . 33.450000000000003 112.135 176.831 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.99 -33.09 74.67 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.241 0.46 . . . . 33.100000000000001 112.241 178.081 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 8' ' ' GLN . . . . . . . . . . . . . 27.8 mm100 -71.45 -32.9 68.87 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 109.734 -0.469 . . . . 56.939999999999998 109.734 -178.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 9' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -73.53 -41.13 63.41 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.296 -0.411 . . . . 44.560000000000002 111.121 176.453 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 10' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.61 -39.34 90.9 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.035 -0.666 . . . . 31.390000000000001 110.873 175.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 11' ' ' LYS . . . . . . . . . . . . . 7.8 mtmm -56.15 -47.83 77.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.963 -0.562 . . . . 55.859999999999999 110.005 174.405 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.57 -29.05 69.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.615 0.722 . . . . 34.390000000000001 110.441 -177.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 13' ' ' ILE . . . . . . . . . . . . . 37.1 mt -70.09 -45.24 76.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 115.275 -0.875 . . . . 33.780000000000001 109.659 -178.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.85 -39.33 84.83 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.825 0.85 . . . . 32.420000000000002 113.233 176.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 15' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -63.71 -38.66 91.96 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.201 0.445 . . . . 70.400000000000006 112.201 177.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 16' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -66.99 -48.93 66.94 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.577 -0.449 . . . . 46.189999999999998 109.946 175.295 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 48.5 mt -57.96 -35.18 70.78 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.866 -0.734 . . . . 33.119999999999997 111.912 -179.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 18' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -66.21 -41.52 90.01 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 121.19 0.519 . . . . 71.310000000000002 111.517 176.105 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.49 -41.95 95.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.885 0.85 . . . . 34.049999999999997 108.827 174.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 20' ' ' ILE . . . . . . . . . . . . . 77.6 mt -66.83 -40.04 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-N 115.024 -0.989 . . . . 37.380000000000003 110.221 -178.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.47 -38.78 91.19 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.784 -0.366 . . . . 36.090000000000003 110.735 179.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 22' ' ' TRP . . . . . 0.451 ' CZ2' ' CH2' ' F' ' 22' ' ' TRP . 75.9 t-105 -73.06 -40.35 65.15 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.55 0.574 . . . . 56.259999999999998 112.55 -177.118 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' I' I ' 23' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -68.21 -26.28 65.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.974 0.416 . . . . 61.240000000000002 110.612 177.043 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.18 -26.26 66.55 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.417 -0.586 . . . . 71.680000000000007 109.417 174.057 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' I' I ' 25' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -83.52 -1.72 54.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.486 -0.779 . . . . 74.569999999999993 109.718 176.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 26' ' ' ALA . . . . . . . . . . . . . . . -101.75 -66.45 0.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.524 -0.762 . . . . 77.340000000000003 110.917 176.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 27' ' ' ILE . . . . . . . . . . . . . 31.9 pt . . . . . 0 C--N 1.329 -0.293 0 N-CA-C 112.573 0.583 . . . . 64.650000000000006 112.573 -177.931 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' J' J ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.328 . . . . . . . . 51.850000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' J' J ' 1' ' ' GLY . . . . . . . . . . . . . . . -100.5 -148.54 22.42 Favored Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 109.894 -1.283 . . . . 46.539999999999999 109.894 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 2' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -71.39 -19.08 62.32 Favored 'General case' 0 N--CA 1.439 -0.987 0 N-CA-C 109.081 -0.711 . . . . 64.290000000000006 109.081 174.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 3' ' ' LEU . . . . . . . . . . . . . 15.4 mt -65.08 -55.58 17.97 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 112.768 0.655 . . . . 36.399999999999999 112.768 178.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 4' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -61.11 -34.43 74.95 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 119.783 -0.767 . . . . 64.620000000000005 111.815 172.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.26 -39.46 79.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.719 0.771 . . . . 30.09 109.164 175.606 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 6' ' ' ILE . . . . . . . . . . . . . 35.6 mt -68.52 -39.88 81.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 CA-C-N 114.963 -1.017 . . . . 36.609999999999999 110.581 -179.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.54 -33.02 74.68 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 112.636 0.606 . . . . 32.140000000000001 112.636 176.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 8' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -72.8 -35.41 67.35 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-O 120.967 0.413 . . . . 54.600000000000001 110.22 -177.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 9' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -65.93 -38.31 88.32 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.887 -0.597 . . . . 60.43 109.791 174.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 10' ' ' LEU . . . . . . . . . . . . . 90.2 mt -64.91 -42.63 94.57 Favored 'General case' 0 N--CA 1.462 0.17 0 O-C-N 123.174 0.296 . . . . 28.77 111.198 178.181 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 11' ' ' LYS . . . . . . . . . . . . . 17.5 mttm -54.32 -52.58 61.07 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 108.207 -1.035 . . . . 56.539999999999999 108.207 173.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.38 -32.43 68.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.505 -0.771 . . . . 30.120000000000001 111.481 -177.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 13' ' ' ILE . . . . . . . . . . . . . 29.6 mt -72.38 -45.72 59.26 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 CA-C-O 121.445 0.64 . . . . 25.550000000000001 109.627 -178.871 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.57 -37.47 73.22 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.148 -0.933 . . . . 32.640000000000001 110.493 176.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 15' ' ' LYS . . . . . 0.407 ' NZ ' ' O ' ' J' ' 106' ' ' HOH . 25.0 ttpp -64.93 -43.21 93.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 64.329999999999998 110.76 -178.77 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' J' J ' 16' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -69.33 -40.92 77.31 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.181 0.437 . . . . 46.509999999999998 112.181 178.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 34.0 mt -57.05 -33.1 66.9 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-O 120.883 0.373 . . . . 28.809999999999999 111.206 176.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 18' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -70.82 -45.57 64.34 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.729 -0.841 . . . . 46.649999999999999 108.729 179.151 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.58 -50.14 60.74 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.111 -0.949 . . . . 37.520000000000003 111.01 173.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 20' ' ' ILE . . . . . . . . . . . . . 66.3 mt -60.54 -43.26 94.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 119.881 -0.728 . . . . 34.359999999999999 111.217 -178.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.75 -44.22 90.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.972 0.415 . . . . 44.270000000000003 111.472 179.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 22' ' ' TRP . . . . . . . . . . . . . 58.8 t-105 -57.63 -48.1 80.39 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.005 0.372 . . . . 55.68 112.005 179.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 23' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -59.46 -45.05 92.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.365 -0.38 . . . . 48.049999999999997 110.715 178.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 24' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -56.71 -42.2 78.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.864 0.364 . . . . 71.180000000000007 110.524 175.122 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 25' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -62.6 -33.24 74.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 62.780000000000001 110.787 178.072 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 26' ' ' ALA . . . . . . . . . . . . . . . -87.14 3.59 45.72 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 114.773 1.397 . . . . 78.709999999999994 114.773 -175.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 27' ' ' ILE . . . . . . . . . . . . . 14.2 pt . . . . . 0 N--CA 1.467 0.384 0 N-CA-C 112.836 0.68 . . . . 72.870000000000005 112.836 178.053 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' K' K ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.252 . . . . . . . . 44.07 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . 106.8 162.96 22.27 Favored Glycine 0 N--CA 1.452 -0.263 0 N-CA-C 116.034 1.174 . . . . 33.009999999999998 116.034 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 2' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -64.72 -33.91 77.06 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 123.505 0.722 . . . . 47.640000000000001 111.302 178.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 3' ' ' LEU . . . . . . . . . . . . . 54.1 mt -69.54 -38.23 77.41 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 113.86 1.059 . . . . 32.990000000000002 113.86 178.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 4' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -69.21 -39.01 78.86 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.348 -0.612 . . . . 68.959999999999994 109.348 176.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.75 -44.31 85.99 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.773 -0.649 . . . . 38.479999999999997 110.843 177.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 6' ' ' ILE . . . . . . . . . . . . . 36.5 mt -57.81 -54.19 35.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 123.94 0.896 . . . . 34.170000000000002 112.271 173.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.37 -38.32 63.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.475 -0.329 . . . . 32.869999999999997 111.719 175.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 8' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -66.4 -32.41 73.77 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.232 0.827 . . . . 61.049999999999997 113.232 -179.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 9' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -78.98 -36.86 40.67 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.97 0.414 . . . . 53.520000000000003 111.198 176.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 10' ' ' LEU . . . . . . . . . . . . . 23.0 mt -56.61 -35.73 68.6 Favored 'General case' 0 CA--C 1.511 -0.555 0 N-CA-C 108.221 -1.029 . . . . 35.68 108.221 172.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 11' ' ' LYS . . . . . . . . . . . . . 19.2 tptt -66.45 -44.74 81.96 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.844 -1.071 . . . . 54.509999999999998 109.305 -178.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.64 -39.87 95.23 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-O 121.243 0.544 . . . . 35.060000000000002 110.977 175.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 13' ' ' ILE . . . . . . . . . . . . . 70.3 mt -61.81 -50.7 79.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.28 -0.418 . . . . 33.280000000000001 112.029 178.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.45 -38.68 44.84 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.544 0.942 . . . . 40.390000000000001 113.544 176.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.4 -52.24 19.66 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 111.918 0.34 . . . . 56.200000000000003 111.918 -177.105 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' K' K ' 16' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -51.36 -42.84 61.61 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-O 121.144 0.497 . . . . 45.57 112.155 173.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.24 -34.56 78.39 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.945 -0.571 . . . . 43.43 112.019 175.177 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' K' K ' 18' ' ' LYS . . . . . . . . . . . . . 28.3 tttp -63.42 -47.6 81.24 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.469 -0.938 . . . . 59.859999999999999 108.469 176.425 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.93 -34.71 72.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.665 -0.698 . . . . 39.130000000000003 111.991 178.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 20' ' ' ILE . . . . . . . . . . . . . 55.1 mt -74.43 -40.22 48.92 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 CA-C-N 116.335 -0.393 . . . . 40.850000000000001 110.325 179.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.79 -33.0 74.28 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.838 -0.619 . . . . 37.32 110.252 179.171 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 22' ' ' TRP . . . . . . . . . . . . . 35.7 t-105 -81.69 -19.31 41.85 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.256 1.206 . . . . 53.5 114.256 -177.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 23' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -79.05 -27.54 43.13 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.944 -0.391 . . . . 69.370000000000005 109.944 172.722 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 24' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -74.61 -34.8 62.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 70.0 111.024 175.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 25' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -66.39 -34.7 78.55 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.069 -0.715 . . . . 63.969999999999999 109.069 175.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.3 -52.83 19.89 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.717 -0.674 . . . . 56.159999999999997 111.37 177.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 27' ' ' ILE . . . . . . . . . . . . . 67.7 mt -52.28 -30.42 13.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-O 120.861 0.363 . . . . 74.75 110.919 178.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.11 6.51 39.61 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.436 0.902 . . . . 63.490000000000002 113.436 178.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 29' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -92.76 -65.62 0.99 Allowed 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 114.222 1.193 . . . . 57.840000000000003 114.222 179.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.435 0 C-N-CA 123.805 0.717 . . . . 57.299999999999997 112.4 1.37 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.267 . . . . . . . . 42.640000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 1' ' ' GLY . . . . . 0.656 ' N ' ' O ' ' L' ' 39' ' ' HOH . . . -106.71 -147.61 14.49 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 123.835 0.731 . . . . 45.329999999999998 113.082 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' L' L ' 2' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -50.6 -32.44 18.82 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 123.753 0.821 . . . . 56.549999999999997 111.457 175.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.13 -48.69 56.44 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.787 0.662 . . . . 35.229999999999997 112.787 179.489 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' L' L ' 4' ' ' LYS . . . . . . . . . . . . . 7.9 tptt -60.68 -37.03 80.22 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 120.412 -0.515 . . . . 55.07 110.485 176.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.67 -44.76 95.44 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.027 0.441 . . . . 29.010000000000002 111.618 179.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 6' ' ' ILE . . . . . . . . . . . . . 92.9 mt -51.72 -52.64 20.73 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.404 0 CA-C-N 116.195 -0.457 . . . . 35.210000000000001 110.761 171.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.41 -34.47 57.87 Favored 'General case' 0 C--O 1.219 -0.52 0 C-N-CA 122.825 0.45 . . . . 34.520000000000003 112.201 176.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 8' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -76.62 -39.73 51.54 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.749 -0.205 . . . . 64.909999999999997 110.575 -176.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 9' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -63.94 -47.21 81.41 Favored 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 109.694 -0.484 . . . . 39.939999999999998 109.694 173.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 10' ' ' LEU . . . . . . . . . . . . . 58.1 mt -52.31 -39.27 60.35 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 112.094 0.405 . . . . 34.439999999999998 112.094 175.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 11' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -64.99 -35.24 80.55 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.059 -0.518 . . . . 50.719999999999999 110.314 177.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.79 -40.51 75.98 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.028 -0.533 . . . . 32.969999999999999 111.643 178.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 13' ' ' ILE . . . . . . . . . . . . . 61.7 mt -59.51 -47.53 90.51 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-N 115.875 -0.602 . . . . 30.27 111.445 176.296 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.52 -32.87 67.48 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.641 -0.709 . . . . 36.619999999999997 111.69 177.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 15' ' ' LYS . . . . . . . . . . . . . 45.3 tttp -77.16 -41.47 41.55 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 116.52 -0.309 . . . . 51.740000000000002 111.464 -175.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 16' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -62.9 -42.92 99.95 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-O 120.731 0.3 . . . . 37.590000000000003 110.657 174.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -46.49 83.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.197 0.522 . . . . 35.780000000000001 110.492 176.576 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' L' L ' 18' ' ' LYS . . . . . . . . . . . . . 24.8 tttp -55.04 -38.52 68.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.454 -0.794 . . . . 59.079999999999998 111.023 175.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.54 -48.38 72.67 Favored 'General case' 0 C--O 1.225 -0.213 0 N-CA-C 113.474 0.916 . . . . 48.270000000000003 113.474 175.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 20' ' ' ILE . . . . . . . . . . . . . 32.0 mt -57.52 -36.54 54.06 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 N-CA-C 111.776 0.287 . . . . 40.990000000000002 111.776 176.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.4 -26.86 61.16 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.439 0.637 . . . . 44.979999999999997 109.704 -178.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 22' ' ' TRP . . . . . . . . . . . . . 70.4 t-105 -70.53 -44.81 66.79 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 114.717 -1.129 . . . . 63.630000000000003 110.391 -179.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 23' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -62.19 -47.85 82.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.565 -0.743 . . . . 71.010000000000005 109.861 174.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 24' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -57.48 -42.6 82.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.113 -0.494 . . . . 68.510000000000005 111.768 178.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 25' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -63.74 -29.59 70.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 73.969999999999999 110.406 177.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.31 -1.08 54.76 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 116.249 -0.432 . . . . 59.969999999999999 110.606 175.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 27' ' ' ILE . . . . . . . . . . . . . 29.2 mt -96.52 -64.23 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.859 -0.336 . . . . 59.090000000000003 111.56 174.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.323 -0.399 . . . . 60.210000000000001 111.82 -179.496 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 . . . . . . . . 44.93 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 1' ' ' GLY . . . . . . . . . . . . . . . 103.03 160.96 25.51 Favored Glycine 0 C--N 1.332 0.342 0 O-C-N 123.318 0.386 . . . . 42.07 112.592 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 2' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -83.52 -15.79 48.01 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 115.393 1.627 . . . . 50.82 115.393 -175.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 3' ' ' LEU . . . . . . . . . . . . . 13.5 mt -70.38 -46.54 63.84 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 119.523 -0.871 . . . . 35.130000000000003 109.489 170.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 4' ' ' LYS . . . . . . . . . . . . . 37.8 tttt -53.28 -38.1 62.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.231 -0.441 . . . . 78.069999999999993 110.878 174.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.32 -32.58 58.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.733 0.301 . . . . 33.450000000000003 110.907 -176.374 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 6' ' ' ILE . . . . . . . . . . . . . 88.4 mt -65.8 -43.86 93.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.978 -0.379 . . . . 32.43 109.978 172.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.97 -31.48 72.74 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 119.657 -0.817 . . . . 31.120000000000001 111.615 179.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 8' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -71.2 -41.7 69.93 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.574 0.583 . . . . 53.119999999999997 112.574 -179.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 9' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -60.21 -42.73 95.75 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 116.328 -0.396 . . . . 49.719999999999999 110.491 172.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 10' ' ' LEU . . . . . . . . . . . . . 85.8 mt -63.6 -22.98 67.19 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.091 0.404 . . . . 34.32 112.091 175.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 11' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -80.1 -39.19 30.09 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.249 -0.649 . . . . 67.599999999999994 109.249 -179.537 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.9 -41.27 97.7 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.141 -0.936 . . . . 35.520000000000003 109.833 176.062 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 13' ' ' ILE . . . . . . . . . . . . . 56.8 mt -65.77 -45.44 91.68 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.586 0 CA-C-N 114.687 -1.142 . . . . 31.370000000000001 111.348 -179.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.85 -32.46 72.8 Favored 'General case' 0 CA--C 1.51 -0.57 0 C-N-CA 122.686 0.394 . . . . 33.270000000000003 111.407 179.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 15' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -63.68 -57.58 9.57 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.202 -0.908 . . . . 45.439999999999998 110.423 177.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 16' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -52.07 -51.61 56.5 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.183 -0.462 . . . . 46.020000000000003 111.096 178.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 53.6 mt -56.18 -35.02 66.77 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.515 0.561 . . . . 35.520000000000003 112.515 179.437 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 18' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -66.92 -33.18 75.03 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.286 -0.635 . . . . 58.32 109.286 179.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.14 -41.73 40.67 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.19 -0.459 . . . . 46.240000000000002 111.4 -177.352 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 20' ' ' ILE . . . . . . . . . . . . . 95.3 mt -62.85 -37.23 78.65 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 N-CA-C 109.115 -0.698 . . . . 40.25 109.115 175.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.93 -41.05 90.95 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 109.151 -0.685 . . . . 40.130000000000003 109.151 177.13 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 22' ' ' TRP . . . . . . . . . . . . . 51.2 m95 -77.38 -28.27 52.79 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 112.996 0.739 . . . . 73.739999999999995 112.996 -175.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 23' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -61.03 -51.56 68.68 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.696 -0.402 . . . . 58.920000000000002 109.926 169.453 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 24' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -57.54 -32.45 67.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 57.109999999999999 111.855 177.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 25' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -73.33 -44.39 59.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.081 0.467 . . . . 67.069999999999993 110.998 -178.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.34 -47.03 86.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.659 -0.7 . . . . 60.170000000000002 110.545 178.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 27' ' ' ILE . . . . . . . . . . . . . 73.9 mt -56.84 -27.67 26.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-N 115.556 -0.747 . . . . 67.450000000000003 112.695 177.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' M' M ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.26 0 CA-C-O 121.098 0.475 . . . . 69.780000000000001 110.896 174.228 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 34' ' ' ' BR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' K' K ' 34' ' ' ' BR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 109' ' ' HOH . . . . . 0.438 ' O ' ' CA ' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 51' ' ' HOH . . . . . 0.437 ' O ' ' CA ' ' F' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 78' ' ' HOH . . . . . 0.485 ' O ' ' CA ' ' H' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' J' J ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' J' J ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' J' J ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' J' J ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' J' J ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' J' J ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' J' J ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' J' J ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' J' J ' 106' ' ' HOH . . . . . 0.407 ' O ' ' NZ ' ' J' ' 15' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' J' J ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' J' J ' 149' ' ' HOH . . . . . 0.438 ' O ' ' CB ' ' H' ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' K' K ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' K' K ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' K' K ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' K' K ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' K' K ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' K' K ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' K' K ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' K' K ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' K' K ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' K' K ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' K' K ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' K' K ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 39' ' ' HOH . . . . . 0.656 ' O ' ' N ' ' L' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' M' M ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.256 . . . . . . . . 43.86 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . 0.718 ' HA3' ' O ' ' C' ' 109' ' ' HOH . . . 109.18 161.13 19.57 Favored Glycine 0 CA--C 1.519 0.332 0 O-C-N 123.618 0.574 . . . . 39.92 114.059 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -73.76 -32.45 63.82 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.116 0.566 . . . . 50.31 111.569 -173.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 92.9 mt -68.17 -35.12 77.53 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.064 0.394 . . . . 34.56 112.064 175.448 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LYS . . . . . 0.42 ' HD3' ' O ' ' A' ' 120' ' ' HOH . 18.8 tptm -63.5 -47.11 83.08 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 123.921 0.888 . . . . 63.98 110.65 173.94 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.42 -48.16 62.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.68 -0.691 . . . . 38.4 110.838 174.477 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.4 mt -60.96 -45.55 98.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-N 115.969 -0.56 . . . . 36.71 110.774 178.396 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.41 -31.41 72.61 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.892 0.377 . . . . 35.06 111.663 179.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -71.99 -35.26 69.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.954 0.407 . . . . 64.1 112.023 179.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLU . . . . . 0.463 ' OE2' ' HE2' ' B' ' 11' ' ' LYS . 81.4 mm-40 -76.09 -28.72 57.66 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 108.645 -0.872 . . . . 50.06 108.645 -178.885 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.8 mt -72.18 -30.86 65.38 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 119.828 -0.749 . . . . 34.19 110.948 176.115 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LYS . . . . . 0.629 ' HB2' ' OE2' ' C' ' 9' ' ' GLU . 35.8 ttmt -63.63 -44.68 93.17 Favored 'General case' 0 C--O 1.241 0.633 0 CA-C-O 121.438 0.637 . . . . 71.23 110.136 173.831 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.53 -42.88 99.47 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 108.732 -0.84 . . . . 37.57 108.732 179.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.8 mt -60.29 -50.12 81.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 108.769 -0.826 . . . . 36.19 108.769 -178.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.5 -36.34 66.57 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 123.679 0.612 . . . . 38.5 110.749 -179.024 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . 0.407 ' O ' ' HB3' ' A' ' 18' ' ' LYS . 33.1 tttm -63.66 -51.52 64.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.389 -0.823 . . . . 64.16 111.888 178.902 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -61.85 -37.57 84.99 Favored 'General case' 0 C--O 1.213 -0.848 0 C-N-CA 120.602 -0.439 . . . . 54.87 111.24 -178.779 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.5 mt -67.48 -24.29 65.58 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.586 -0.445 . . . . 31.04 111.036 176.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . 0.407 ' HB3' ' O ' ' A' ' 15' ' ' LYS . 21.2 ttmt -68.52 -49.91 56.08 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 116.416 -0.356 . . . . 60.04 110.345 172.87 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.97 -43.19 77.34 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 116.23 -0.441 . . . . 33.66 111.839 176.929 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.78 -34.69 71.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.165 0.507 . . . . 27.81 110.372 179.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.19 -40.49 90.46 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 115.439 -0.8 . . . . 34.77 109.726 -179.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' TRP . . . . . 0.417 ' HE3' ' O ' ' A' ' 96' ' ' HOH . 61.3 t-105 -67.13 -42.3 84.68 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.207 -0.906 . . . . 52.2 111.319 -179.477 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -63.13 -40.58 98.0 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.064 0.394 . . . . 62.15 112.064 179.84 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -65.35 -46.3 80.74 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.659 -0.497 . . . . 62.13 109.659 175.238 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -52.84 -42.92 65.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.835 -0.62 . . . . 55.78 110.246 175.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.32 -56.89 16.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.84 -0.618 . . . . 48.71 112.067 175.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.5 mt -46.23 -49.46 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.894 -0.41 . . . . 65.51 109.894 -179.766 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.87 -70.14 0.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.741 -0.384 . . . . 68.42 111.065 174.61 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 . . . . . 0 C--N 1.327 -0.399 0 C-N-CA 119.935 -0.706 . . . . 53.14 111.716 178.769 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.166 . . . . . . . . 35.58 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' GLY . . . . . 0.539 ' HA3' ' O ' ' A' ' 34' ' ' HOH . . . 103.99 153.2 23.07 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 112.028 -0.429 . . . . 40.48 112.028 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 2' ' ' GLU . . . . . 0.591 ' OE1' ' HA ' ' G' ' 4' ' ' LYS . 14.5 tp10 -79.09 -21.57 46.51 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 119.813 -0.755 . . . . 39.75 112.191 -178.556 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 65.2 mt -79.6 -41.93 26.05 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.122 0.487 . . . . 32.94 109.72 173.041 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' LYS . . . . . 0.407 ' O ' ' HG2' ' B' ' 8' ' ' GLN . 2.1 tttm -56.12 -45.67 79.41 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.62 -0.882 . . . . 66.19 108.62 174.444 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.43 -45.62 93.53 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.895 -0.78 . . . . 32.94 108.895 -177.9 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 39.1 mt -55.14 -47.77 76.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 119.92 -0.712 . . . . 35.31 110.354 179.699 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.67 -35.2 63.31 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.347 0.869 . . . . 30.33 113.347 174.373 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' B' ' 4' ' ' LYS . 8.5 mm-40 -68.26 -39.39 82.24 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.274 0.559 . . . . 56.9 110.531 -177.516 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 9' ' ' GLU . . . . . 0.485 ' O ' HG13 ' B' ' 13' ' ' ILE . 78.6 mm-40 -69.41 -33.08 72.47 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.442 -0.799 . . . . 39.1 110.925 179.593 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.61 -32.85 70.35 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 109.698 -0.482 . . . . 36.24 109.698 175.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' LYS . . . . . 0.463 ' HE2' ' OE2' ' A' ' 9' ' ' GLU . 32.9 ttmt -64.11 -46.62 83.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.696 -0.683 . . . . 58.15 109.402 176.63 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.76 -35.27 77.62 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.367 -0.605 . . . . 34.94 109.367 178.799 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ILE . . . . . 0.485 HG13 ' O ' ' B' ' 9' ' ' GLU . 70.2 mt -64.55 -52.27 57.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-N 115.955 -0.566 . . . . 33.39 111.041 -177.906 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.94 -34.7 63.46 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.747 0.819 . . . . 31.36 112.362 175.559 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 38.3 tttp -62.9 -49.2 75.75 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 116.204 -0.453 . . . . 61.82 111.01 177.028 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -63.23 -42.94 99.29 Favored 'General case' 0 CA--C 1.527 0.075 0 N-CA-C 112.089 0.404 . . . . 39.39 112.089 176.348 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 50.9 mt -62.67 -31.87 72.84 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 119.845 -0.742 . . . . 29.45 110.066 -179.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -68.49 -45.2 73.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.739 0.78 . . . . 68.64 108.91 -179.317 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.39 -38.69 77.84 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 114.99 -1.005 . . . . 32.03 110.023 175.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 87.3 mt -71.4 -41.08 73.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.273 -0.421 . . . . 34.98 110.916 -179.407 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.67 -37.07 75.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.933 0.396 . . . . 42.97 110.235 179.375 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' TRP . . . . . 0.406 ' HA ' ' HE3' ' B' ' 25' ' ' LYS . 75.9 t-105 -71.38 -47.56 55.47 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.298 -0.864 . . . . 67.42 112.066 -178.435 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLU . . . . . 0.543 ' O ' HG12 ' B' ' 27' ' ' ILE . 77.1 mm-40 -62.73 -23.24 67.07 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 123.213 0.321 . . . . 63.38 111.129 -179.1 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -75.07 -44.96 44.55 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.652 -0.499 . . . . 71.37 109.652 171.401 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' LYS . . . . . 0.406 ' HE3' ' HA ' ' B' ' 22' ' ' TRP . 32.2 mtmt -63.46 -18.65 63.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 69.84 109.981 173.868 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -94.65 -2.6 51.01 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.678 0.992 . . . . 69.94 113.678 178.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' ILE . . . . . 0.543 HG12 ' O ' ' B' ' 23' ' ' GLU . 27.3 pt . . . . . 0 N--CA 1.468 0.466 0 CA-C-O 121.17 0.51 . . . . 76.67 111.847 175.828 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.403 . . . . . . . . 52.53 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . 60.41 -134.72 50.08 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 116.181 1.232 . . . . 46.21 116.181 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -77.2 -36.01 55.25 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-O 121.211 0.529 . . . . 58.07 112.224 -171.287 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 47.7 mt -68.13 -34.13 75.79 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.728 -0.669 . . . . 39.54 109.337 176.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -63.02 -52.74 61.72 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.76 -0.654 . . . . 61.71 110.156 173.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.14 -31.34 41.84 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.275 0.56 . . . . 36.22 111.471 179.666 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 60.2 mt -73.41 -42.67 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 115.768 -0.651 . . . . 34.4 110.412 -179.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.49 96.38 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 120.418 -0.513 . . . . 34.91 112.338 177.801 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -68.4 -34.56 76.23 Favored 'General case' 0 C--O 1.243 0.751 0 N-CA-C 112.809 0.67 . . . . 49.9 112.809 -179.622 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 9' ' ' GLU . . . . . 0.629 ' OE2' ' HB2' ' A' ' 11' ' ' LYS . 15.5 mm-40 -66.38 -42.1 88.43 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 119.988 -0.685 . . . . 51.93 110.216 172.505 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 10' ' ' LEU . . . . . . . . . . . . . 32.7 mt -58.27 -43.6 88.03 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-O 121.372 0.606 . . . . 27.69 110.29 176.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 11' ' ' LYS . . . . . 0.729 ' HE2' ' OE2' ' F' ' 9' ' ' GLU . 12.9 ttmt -58.36 -50.72 72.65 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.192 -1.41 . . . . 49.55 107.192 -178.999 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.62 -36.91 74.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.884 -0.598 . . . . 30.84 110.852 -179.537 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 78.6 mt -65.09 -46.35 91.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-O 121.764 0.792 . . . . 26.7 111.249 179.063 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.48 -40.59 75.18 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 115.132 -0.94 . . . . 32.07 110.67 176.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -64.46 -44.13 92.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.672 -0.24 . . . . 61.44 111.234 -179.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -68.39 -33.71 74.72 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.082 0.401 . . . . 40.09 112.082 179.236 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 17' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' C' ' 17' ' ' LEU . 18.2 mt -62.74 -38.32 90.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.985 0.421 . . . . 26.89 110.634 175.712 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -66.96 -34.23 77.32 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.193 -0.912 . . . . 46.82 110.105 179.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.24 -46.15 81.74 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.258 -0.428 . . . . 35.21 110.144 177.072 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 87.3 mt -59.58 -46.38 93.17 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.284 0 C-N-CA 120.565 -0.454 . . . . 32.74 110.773 178.658 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.31 -43.72 83.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.952 0.406 . . . . 42.91 111.465 -179.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 22' ' ' TRP . . . . . . . . . . . . . 63.6 t-105 -57.64 -44.1 85.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.18 -0.464 . . . . 42.82 111.769 178.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -67.08 -32.31 73.39 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.799 0.666 . . . . 46.53 112.799 -179.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 24' ' ' HIS . . . . . 0.534 ' O ' HG12 ' C' ' 27' ' ' ILE . 30.3 m80 -65.78 -51.58 57.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.96 0.41 . . . . 63.38 110.239 175.089 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -57.18 -30.43 64.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.856 -0.611 . . . . 65.96 111.413 178.355 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.71 4.43 36.67 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.663 0.616 . . . . 76.73 112.663 -171.183 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 27' ' ' ILE . . . . . 0.534 HG12 ' O ' ' C' ' 24' ' ' HIS . 12.3 pt -102.7 113.4 39.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-O 120.947 0.403 . . . . 77.05 111.238 172.65 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 115.989 -0.55 . . . . 71.84 111.034 177.518 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.082 . . . . . . . . 38.41 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . 108.12 165.61 21.31 Favored Glycine 0 C--N 1.33 0.24 0 N-CA-C 116.065 1.186 . . . . 35.95 116.065 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -69.9 -33.36 72.08 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.802 0.441 . . . . 52.4 112.037 -177.864 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 3' ' ' LEU . . . . . . . . . . . . . 85.5 mt -69.14 -38.34 78.77 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 123.236 0.335 . . . . 36.88 111.793 177.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -65.78 -37.46 86.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.259 -0.428 . . . . 65.3 110.406 174.101 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.38 -47.92 83.99 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.545 -0.539 . . . . 34.87 109.545 177.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 6' ' ' ILE . . . . . . . . . . . . . 74.5 mt -56.69 -48.65 80.46 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 115.451 -0.795 . . . . 32.55 113.139 174.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.85 -28.9 69.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.48 -0.327 . . . . 36.7 111.664 179.046 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 8' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -78.74 -33.98 46.17 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 112.205 0.446 . . . . 66.14 112.205 -177.212 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 9' ' ' GLU . . . . . 0.437 ' OE1' ' HA ' ' F' ' 11' ' ' LYS . 80.1 mm-40 -69.91 -32.83 71.35 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.001 -0.74 . . . . 43.82 109.001 175.859 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 10' ' ' LEU . . . . . . . . . . . . . 61.9 mt -70.74 -23.46 62.44 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 109.576 -0.527 . . . . 35.8 109.576 178.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 11' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -78.49 -37.5 43.09 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 107.777 -1.194 . . . . 73.42 107.777 178.27 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.66 -38.52 83.9 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.323 0.582 . . . . 28.71 109.498 178.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 56.8 mt -63.64 -46.56 94.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 CA-C-N 115.879 -0.6 . . . . 31.33 111.466 178.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.91 -35.04 68.55 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.518 -0.31 . . . . 34.74 111.575 177.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 46.0 tttm -64.92 -53.17 50.67 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.302 -0.408 . . . . 51.42 111.042 -177.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -59.44 -44.62 92.91 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 113.266 0.839 . . . . 44.16 113.266 177.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 17' ' ' LEU . . . . . 0.431 ' HA ' HD23 ' E' ' 17' ' ' LEU . 1.1 mt -52.51 -47.06 66.85 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.591 0.71 . . . . 36.19 110.566 172.494 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 18' ' ' LYS . . . . . 0.461 ' HG3' ' OE2' ' G' ' 16' ' ' GLU . 38.1 tttp -56.17 -42.48 77.12 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 115.155 -0.93 . . . . 56.16 109.246 179.363 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.14 -42.44 80.13 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.207 0.527 . . . . 38.1 112.105 -178.63 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 67.7 mt -62.94 -39.32 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.616 0 N-CA-C 108.978 -0.749 . . . . 40.18 108.978 174.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.66 92.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 37.61 110.345 179.791 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 22' ' ' TRP . . . . . . . . . . . . . 27.9 t-105 -72.6 -23.8 61.0 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 112.219 0.451 . . . . 65.48 112.219 178.782 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 23' ' ' GLU . . . . . 0.462 ' CD ' ' HD2' ' F' ' 25' ' ' LYS . 12.1 mm-40 -66.66 -45.02 80.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.574 -0.284 . . . . 66.86 111.239 173.661 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 24' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -63.21 -35.17 79.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.339 -0.391 . . . . 71.63 111.86 178.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 25' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -66.93 -40.52 87.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.748 0.309 . . . . 69.15 111.202 179.028 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 26' ' ' ALA . . . . . 0.498 ' HB2' ' NE1' ' H' ' 22' ' ' TRP . . . -62.42 -38.55 90.12 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 121.162 0.506 . . . . 61.78 112.013 179.058 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 27' ' ' ILE . . . . . 0.629 HD11 HD12 ' F' ' 27' ' ' ILE . 32.0 mt -65.0 -45.95 93.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 109.314 -0.624 . . . . 76.0 109.314 174.023 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.09 -22.74 11.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.416 -0.356 . . . . 58.12 110.232 178.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 56.86 111.09 176.875 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.493 . . . . . . . . 42.59 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 1' ' ' GLY . . . . . 0.91 ' HA3' ' O ' ' F' ' 51' ' ' HOH . . . 146.22 176.82 20.4 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.4 -0.68 . . . . 45.39 111.4 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -83.06 -42.91 16.9 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 109.808 -0.441 . . . . 56.16 109.808 166.187 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -47.75 82.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 36.1 110.653 176.33 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 4' ' ' LYS . . . . . 0.657 ' HE3' ' NE2' ' F' ' 8' ' ' GLN . 44.9 tptt -52.83 -41.58 64.35 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 121.182 0.515 . . . . 73.82 110.622 174.765 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.56 -36.09 80.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.676 -0.693 . . . . 34.82 111.261 -178.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 6' ' ' ILE . . . . . . . . . . . . . 52.4 mt -64.45 -41.07 91.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-O 121.053 0.454 . . . . 34.48 110.287 177.907 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.76 -35.95 81.47 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.098 0.407 . . . . 32.4 112.098 177.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 8' ' ' GLN . . . . . 0.657 ' NE2' ' HE3' ' F' ' 4' ' ' LYS . 8.2 mm-40 -68.12 -41.64 81.41 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 111.659 0.244 . . . . 74.27 111.659 -179.77 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 9' ' ' GLU . . . . . 0.729 ' OE2' ' HE2' ' C' ' 11' ' ' LYS . 77.4 mm-40 -66.63 -38.36 86.76 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 116.184 -0.462 . . . . 44.73 110.718 176.77 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 10' ' ' LEU . . . . . . . . . . . . . 41.7 mt -65.28 -31.63 72.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.178 0.513 . . . . 33.46 109.725 177.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 11' ' ' LYS . . . . . 0.437 ' HA ' ' OE1' ' E' ' 9' ' ' GLU . 38.6 ttmt -71.04 -35.46 71.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.745 -0.662 . . . . 82.42 109.372 178.335 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.17 -38.1 84.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.636 -0.711 . . . . 33.74 110.855 175.209 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 13' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.16 -48.54 87.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 CA-C-N 115.946 -0.57 . . . . 28.73 110.602 178.273 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.34 -39.18 63.92 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 115.733 -0.667 . . . . 27.99 111.535 175.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 31.0 tttm -69.11 -43.91 73.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.074 -0.512 . . . . 56.96 110.956 -175.222 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 16' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -67.86 -35.12 77.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.904 0.383 . . . . 40.24 110.871 178.619 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 17' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' F' ' 17' ' ' LEU . 0.1 OUTLIER -65.29 -37.44 87.16 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.716 -0.675 . . . . 31.6 109.846 178.163 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 48.0 tttp -68.42 -28.05 66.74 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.384 -0.825 . . . . 62.6 111.56 178.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 19' ' ' ALA . . . . . 0.484 ' O ' ' HG2' ' F' ' 23' ' ' GLU . . . -74.85 -37.63 62.19 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.364 -0.38 . . . . 43.66 111.318 177.018 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 2.9 mt -63.15 -39.15 84.13 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 CA-C-N 115.994 -0.548 . . . . 37.63 110.871 176.49 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.35 -26.94 62.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.187 0.518 . . . . 37.94 110.292 -177.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 22' ' ' TRP . . . . . 0.601 ' CH2' ' HZ2' ' I' ' 22' ' ' TRP . 76.2 t-105 -71.92 -45.06 62.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.219 -0.901 . . . . 62.3 111.764 179.559 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 23' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' F' ' 19' ' ' ALA . 33.4 mm-40 -64.47 -42.88 95.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.505 . . . . 59.31 109.74 175.439 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 24' ' ' HIS . . . . . 0.492 ' O ' HG12 ' F' ' 27' ' ' ILE . 24.8 m80 -60.77 -37.26 81.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.058 -0.519 . . . . 63.29 110.664 176.181 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 25' ' ' LYS . . . . . 0.954 ' HG3' ' HD3' ' I' ' 25' ' ' LYS . 0.4 OUTLIER -65.21 -32.73 74.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.984 0.421 . . . . 64.89 109.968 179.064 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' F' F ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.54 -49.08 70.26 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.886 -0.597 . . . . 62.43 111.987 175.513 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 27' ' ' ILE . . . . . 0.629 HD12 HD11 ' E' ' 27' ' ' ILE . 27.2 pt -59.38 -70.14 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 119.584 -0.847 . . . . 73.4 111.373 173.121 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 N-CA-C 112.218 0.451 . . . . 61.1 112.218 -174.124 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.42 . . . . . . . . 42.11 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 1' ' ' GLY . . . . . 0.423 ' HA3' ' O ' ' G' ' 52' ' ' HOH . . . 107.48 162.24 21.52 Favored Glycine 0 CA--C 1.519 0.339 0 N-CA-C 114.158 0.423 . . . . 36.7 114.158 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' G' G ' 2' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -78.78 -26.9 44.48 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.832 1.049 . . . . 57.33 113.832 -178.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 3' ' ' LEU . . . . . . . . . . . . . 47.3 mt -65.39 -41.87 93.24 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.04 -0.664 . . . . 27.57 111.073 168.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 4' ' ' LYS . . . . . 0.591 ' HA ' ' OE1' ' B' ' 2' ' ' GLU . 74.9 tttt -60.7 -42.4 97.09 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.085 0.402 . . . . 63.42 112.085 177.251 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' G' G ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.43 -29.9 70.14 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 120.877 0.37 . . . . 33.58 110.745 178.385 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 6' ' ' ILE . . . . . . . . . . . . . 31.1 mt -69.63 -39.84 78.72 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.35 0 CA-C-N 116.251 -0.431 . . . . 31.07 111.285 176.838 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.12 -33.09 75.19 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 112.102 0.408 . . . . 30.16 112.102 174.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -41.73 89.55 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.782 0.833 . . . . 58.57 112.434 -179.403 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' G' G ' 9' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -69.33 -40.5 77.54 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 115.141 -0.936 . . . . 52.29 110.64 176.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 10' ' ' LEU . . . . . . . . . . . . . 68.1 mt -63.18 -26.55 68.86 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 120.582 -0.447 . . . . 29.8 111.368 175.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 11' ' ' LYS . . . . . . . . . . . . . 15.7 tttm -79.02 -37.56 38.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.378 0.609 . . . . 59.8 109.853 -176.203 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.15 -33.97 74.26 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.114 -0.948 . . . . 36.27 109.112 178.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 13' ' ' ILE . . . . . . . . . . . . . 41.3 mt -68.7 -39.95 80.94 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.615 0 CA-C-N 115.362 -0.835 . . . . 34.36 109.888 -179.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.43 -34.87 78.7 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 123.862 0.726 . . . . 30.66 112.487 -178.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 15' ' ' LYS . . . . . 0.41 ' O ' ' HB3' ' G' ' 18' ' ' LYS . 0.0 OUTLIER -80.46 -38.65 29.6 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 123.568 0.542 . . . . 70.43 112.209 -176.665 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' G' G ' 16' ' ' GLU . . . . . 0.461 ' OE2' ' HG3' ' E' ' 18' ' ' LYS . 54.9 mm-40 -54.93 -42.45 72.29 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 116.317 -0.401 . . . . 45.99 110.336 167.796 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 41.2 mt -70.25 -33.76 72.02 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 121.344 0.593 . . . . 31.47 110.187 179.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 18' ' ' LYS . . . . . 0.41 ' HB3' ' O ' ' G' ' 15' ' ' LYS . 53.6 tptt -57.36 -47.16 82.34 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.254 -0.885 . . . . 55.06 108.771 174.889 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.47 -49.37 66.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.243 -0.435 . . . . 46.43 111.698 -175.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 20' ' ' ILE . . . . . . . . . . . . . 92.7 mt -55.19 -44.92 76.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.122 -0.49 . . . . 38.67 110.821 176.646 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.32 -34.53 68.84 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 108.831 -0.803 . . . . 41.48 108.831 179.685 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 22' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -73.43 -41.1 63.68 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.614 -0.721 . . . . 75.92 112.188 -179.839 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 23' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -54.64 -49.64 70.06 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 123.238 0.336 . . . . 62.64 110.981 174.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 24' ' ' HIS . . . . . 0.416 ' HB3' ' HB3' ' B' ' 23' ' ' GLU . 71.9 m80 -58.63 -37.37 75.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.782 0.325 . . . . 57.88 111.557 179.01 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' G' G ' 25' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -69.59 -44.01 71.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 69.12 110.663 179.342 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.46 -51.8 61.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.855 -0.612 . . . . 61.52 109.691 177.784 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 27' ' ' ILE . . . . . . . . . . . . . 1.6 mm -55.19 -20.39 6.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.553 -0.749 . . . . 69.34 111.938 179.366 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.52 4.05 29.7 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.799 -0.445 . . . . 82.86 109.799 177.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 29' ' ' GLN . . . . . . . . . . . . . 51.8 mm-40 . . . . . 0 C--N 1.329 -0.296 0 N-CA-C 112.225 0.454 . . . . 64.08 112.225 172.537 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.261 . . . . . . . . 39.27 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 1' ' ' GLY . . . . . 0.935 ' HA3' ' O ' ' H' ' 78' ' ' HOH . . . 149.0 172.36 18.66 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 110.197 -1.161 . . . . 47.54 110.197 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 2' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -85.01 -33.33 22.57 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 106.072 -1.825 . . . . 56.98 106.072 171.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 3' ' ' LEU . . . . . 0.692 ' HB3' ' HB3' ' J' ' 2' ' ' GLU . 0.2 OUTLIER -63.63 -41.09 98.3 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.089 -0.96 . . . . 41.19 111.756 174.762 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' H' H ' 4' ' ' LYS . . . . . 0.559 ' N ' ' HG2' ' J' ' 2' ' ' GLU . 15.3 tppt? -58.43 -50.41 73.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 53.62 110.588 174.18 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.17 -43.22 70.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.729 -0.669 . . . . 35.82 111.562 179.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 6' ' ' ILE . . . . . . . . . . . . . 50.5 mt -63.31 -44.73 99.25 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-N 116.129 -0.487 . . . . 33.52 112.18 176.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.15 -40.08 94.78 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.49 -0.484 . . . . 31.07 110.795 178.105 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 8' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -66.54 -32.66 74.14 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.568 0.581 . . . . 69.32 112.568 178.814 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 9' ' ' GLU . . . . . 0.606 ' CD ' ' HG3' ' I' ' 11' ' ' LYS . 80.9 mm-40 -74.44 -33.56 62.97 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.492 -0.483 . . . . 53.4 110.694 177.137 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 10' ' ' LEU . . . . . . . . . . . . . 51.6 mt -69.76 -30.89 68.58 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 120.52 -0.472 . . . . 35.52 110.793 173.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 11' ' ' LYS . . . . . 0.526 ' HA ' ' OE1' ' J' ' 9' ' ' GLU . 23.1 ttmm -63.15 -46.77 85.62 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.486 -0.486 . . . . 54.05 109.911 175.784 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.11 -39.58 82.72 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.892 -0.595 . . . . 40.84 109.81 179.159 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 13' ' ' ILE . . . . . . . . . . . . . 48.9 mt -67.12 -48.97 77.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 110.167 -0.309 . . . . 31.27 110.167 -174.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.08 -36.31 60.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.355 0.598 . . . . 34.73 109.62 177.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 12.6 tttm -62.74 -50.71 70.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.443 -0.799 . . . . 58.86 112.392 176.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 16' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -64.2 -25.56 68.13 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 120.841 -0.344 . . . . 49.25 111.569 -178.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 17' ' ' LEU . . . . . 0.477 ' CD1' HG23 ' J' ' 13' ' ' ILE . 59.0 mt -75.31 -34.32 61.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.893 0.378 . . . . 30.83 110.023 177.017 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 18' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -64.24 -42.49 96.5 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 115.856 -0.611 . . . . 60.65 111.498 177.279 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.79 -44.59 92.87 Favored 'General case' 0 C--N 1.334 -0.089 0 N-CA-C 112.593 0.59 . . . . 36.74 112.593 176.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 20' ' ' ILE . . . . . . . . . . . . . 64.3 mt -62.01 -39.44 83.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.482 -0.326 . . . . 35.55 110.657 177.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.4 -36.38 82.7 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 120.956 0.408 . . . . 37.21 109.924 -179.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 22' ' ' TRP . . . . . 0.498 ' NE1' ' HB2' ' E' ' 26' ' ' ALA . 73.2 t-105 -66.98 -44.92 79.17 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.234 -0.894 . . . . 60.2 111.328 177.863 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 23' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -62.16 -35.22 78.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.729 0.299 . . . . 70.7 111.759 177.405 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 24' ' ' HIS . . . . . 0.491 ' CE1' ' NE2' ' I' ' 24' ' ' HIS . 30.9 m80 -67.37 -34.38 77.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.94 0.4 . . . . 72.86 110.449 175.713 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 25' ' ' LYS . . . . . . . . . . . . . 42.4 tttp -65.48 -34.63 78.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.81 -0.632 . . . . 50.65 109.877 179.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.53 -48.5 72.27 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.405 -0.816 . . . . 65.6 112.106 178.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 27' ' ' ILE . . . . . . . . . . . . . 44.4 mt -46.09 -61.99 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 64.42 110.329 176.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 28' ' ' ALA . . . . . 0.905 ' HB2' ' O ' ' J' ' 149' ' ' HOH . . . -48.75 -56.17 9.38 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.367 0.506 . . . . 80.94 112.367 -178.396 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 29' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -80.03 -1.46 39.88 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.426 -0.51 . . . . 74.01 110.902 -177.4 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 CA-C-N 116.171 -0.468 . . . . 62.13 112.506 178.049 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.569 . . . . . . . . 38.88 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 1' ' ' GLY . . . . . 0.625 ' HA3' ' O ' ' H' ' 118' ' ' HOH . . . 109.18 154.31 15.83 Favored Glycine 0 CA--C 1.519 0.344 0 N-CA-C 114.816 0.686 . . . . 35.98 114.816 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 2' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -79.02 -23.04 44.62 Favored 'General case' 0 C--O 1.223 -0.324 0 C-N-CA 122.889 0.476 . . . . 48.03 111.923 -175.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 3' ' ' LEU . . . . . . . . . . . . . 94.9 mt -81.45 -35.27 30.78 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.348 0.594 . . . . 38.73 111.336 177.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 4' ' ' LYS . . . . . 0.438 ' O ' ' HG2' ' I' ' 8' ' ' GLN . 10.2 tppt? -64.11 -37.06 86.07 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 109.005 -0.739 . . . . 65.61 109.005 173.976 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.72 -48.87 75.33 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 108.378 -0.971 . . . . 34.32 108.378 -179.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 6' ' ' ILE . . . . . . . . . . . . . 16.6 mt -51.35 -45.76 33.62 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 CA-C-N 115.754 -0.657 . . . . 33.45 112.135 176.831 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.99 -33.09 74.67 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.241 0.46 . . . . 33.1 112.241 178.081 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 8' ' ' GLN . . . . . 0.507 ' OE1' ' HE3' ' I' ' 11' ' ' LYS . 27.8 mm100 -71.45 -32.9 68.87 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 109.734 -0.469 . . . . 56.94 109.734 -178.208 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 9' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -73.53 -41.13 63.41 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.296 -0.411 . . . . 44.56 111.121 176.453 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 10' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.61 -39.34 90.9 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.035 -0.666 . . . . 31.39 110.873 175.068 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 11' ' ' LYS . . . . . 0.606 ' HG3' ' CD ' ' H' ' 9' ' ' GLU . 7.8 mtmm -56.15 -47.83 77.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.963 -0.562 . . . . 55.86 110.005 174.405 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.57 -29.05 69.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.615 0.722 . . . . 34.39 110.441 -177.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 13' ' ' ILE . . . . . . . . . . . . . 37.1 mt -70.09 -45.24 76.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 115.275 -0.875 . . . . 33.78 109.659 -178.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.85 -39.33 84.83 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.825 0.85 . . . . 32.42 113.233 176.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 15' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -63.71 -38.66 91.96 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.201 0.445 . . . . 70.4 112.201 177.581 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 16' ' ' GLU . . . . . 0.544 ' OE1' ' HA ' ' M' ' 18' ' ' LYS . 63.5 mm-40 -66.99 -48.93 66.94 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.577 -0.449 . . . . 46.19 109.946 175.295 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 48.5 mt -57.96 -35.18 70.78 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.866 -0.734 . . . . 33.12 111.912 -179.507 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 18' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -66.21 -41.52 90.01 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 121.19 0.519 . . . . 71.31 111.517 176.105 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.49 -41.95 95.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.885 0.85 . . . . 34.05 108.827 174.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 20' ' ' ILE . . . . . . . . . . . . . 77.6 mt -66.83 -40.04 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-N 115.024 -0.989 . . . . 37.38 110.221 -178.015 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.47 -38.78 91.19 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.784 -0.366 . . . . 36.09 110.735 179.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 22' ' ' TRP . . . . . 0.601 ' HZ2' ' CH2' ' F' ' 22' ' ' TRP . 75.9 t-105 -73.06 -40.35 65.15 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.55 0.574 . . . . 56.26 112.55 -177.118 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 23' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -68.21 -26.28 65.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.974 0.416 . . . . 61.24 110.612 177.043 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 24' ' ' HIS . . . . . 0.491 ' NE2' ' CE1' ' H' ' 24' ' ' HIS . 0.2 OUTLIER -67.18 -26.26 66.55 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.417 -0.586 . . . . 71.68 109.417 174.057 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' I' I ' 25' ' ' LYS . . . . . 0.954 ' HD3' ' HG3' ' F' ' 25' ' ' LYS . 74.3 mttt -83.52 -1.72 54.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.486 -0.779 . . . . 74.57 109.718 176.706 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 26' ' ' ALA . . . . . . . . . . . . . . . -101.75 -66.45 0.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.524 -0.762 . . . . 77.34 110.917 176.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 27' ' ' ILE . . . . . . . . . . . . . 31.9 pt . . . . . 0 C--N 1.329 -0.293 0 N-CA-C 112.573 0.583 . . . . 64.65 112.573 -177.931 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' J' J ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.328 . . . . . . . . 51.85 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' J' J ' 1' ' ' GLY . . . . . . . . . . . . . . . -100.5 -148.54 22.42 Favored Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 109.894 -1.283 . . . . 46.54 109.894 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 2' ' ' GLU . . . . . 0.692 ' HB3' ' HB3' ' H' ' 3' ' ' LEU . 3.9 tp10 -71.39 -19.08 62.32 Favored 'General case' 0 N--CA 1.439 -0.987 0 N-CA-C 109.081 -0.711 . . . . 64.29 109.081 174.285 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' J' J ' 3' ' ' LEU . . . . . . . . . . . . . 15.4 mt -65.08 -55.58 17.97 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 112.768 0.655 . . . . 36.4 112.768 178.514 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 4' ' ' LYS . . . . . 0.696 ' HE3' ' HA ' ' L' ' 2' ' ' GLU . 20.0 mmtp -61.11 -34.43 74.95 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 119.783 -0.767 . . . . 64.62 111.815 172.659 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.26 -39.46 79.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.719 0.771 . . . . 30.09 109.164 175.606 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 6' ' ' ILE . . . . . 0.448 ' O ' ' HG ' ' J' ' 10' ' ' LEU . 35.6 mt -68.52 -39.88 81.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 CA-C-N 114.963 -1.017 . . . . 36.61 110.581 -179.903 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' J' J ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.54 -33.02 74.68 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 112.636 0.606 . . . . 32.14 112.636 176.44 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 8' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -72.8 -35.41 67.35 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-O 120.967 0.413 . . . . 54.6 110.22 -177.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 9' ' ' GLU . . . . . 0.526 ' OE1' ' HA ' ' H' ' 11' ' ' LYS . 8.7 mm-40 -65.93 -38.31 88.32 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.887 -0.597 . . . . 60.43 109.791 174.886 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' J' J ' 10' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' J' ' 6' ' ' ILE . 90.2 mt -64.91 -42.63 94.57 Favored 'General case' 0 N--CA 1.462 0.17 0 O-C-N 123.174 0.296 . . . . 28.77 111.198 178.181 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' J' J ' 11' ' ' LYS . . . . . . . . . . . . . 17.5 mttm -54.32 -52.58 61.07 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 108.207 -1.035 . . . . 56.54 108.207 173.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.38 -32.43 68.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.505 -0.771 . . . . 30.12 111.481 -177.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 13' ' ' ILE . . . . . 0.477 HG23 ' CD1' ' H' ' 17' ' ' LEU . 29.6 mt -72.38 -45.72 59.26 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 CA-C-O 121.445 0.64 . . . . 25.55 109.627 -178.871 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.57 -37.47 73.22 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.148 -0.933 . . . . 32.64 110.493 176.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 15' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -64.93 -43.21 93.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 64.33 110.76 -178.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 16' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -69.33 -40.92 77.31 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.181 0.437 . . . . 46.51 112.181 178.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 17' ' ' LEU . . . . . 0.601 HD11 HG23 ' L' ' 13' ' ' ILE . 34.0 mt -57.05 -33.1 66.9 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-O 120.883 0.373 . . . . 28.81 111.206 176.137 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' J' J ' 18' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -70.82 -45.57 64.34 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.729 -0.841 . . . . 46.65 108.729 179.151 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.58 -50.14 60.74 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.111 -0.949 . . . . 37.52 111.01 173.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 20' ' ' ILE . . . . . . . . . . . . . 66.3 mt -60.54 -43.26 94.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 119.881 -0.728 . . . . 34.36 111.217 -178.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.75 -44.22 90.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.972 0.415 . . . . 44.27 111.472 179.673 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 22' ' ' TRP . . . . . . . . . . . . . 58.8 t-105 -57.63 -48.1 80.39 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.005 0.372 . . . . 55.68 112.005 179.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 23' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -59.46 -45.05 92.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.365 -0.38 . . . . 48.05 110.715 178.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 24' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -56.71 -42.2 78.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.864 0.364 . . . . 71.18 110.524 175.122 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 25' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -62.6 -33.24 74.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 62.78 110.787 178.072 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 26' ' ' ALA . . . . . . . . . . . . . . . -87.14 3.59 45.72 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 114.773 1.397 . . . . 78.71 114.773 -175.413 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 27' ' ' ILE . . . . . 0.684 ' O ' HG13 ' J' ' 27' ' ' ILE . 14.2 pt . . . . . 0 N--CA 1.467 0.384 0 N-CA-C 112.836 0.68 . . . . 72.87 112.836 178.053 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.252 . . . . . . . . 44.07 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . 106.8 162.96 22.27 Favored Glycine 0 N--CA 1.452 -0.263 0 N-CA-C 116.034 1.174 . . . . 33.01 116.034 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 2' ' ' GLU . . . . . 0.709 ' HG2' ' HD3' ' L' ' 4' ' ' LYS . 31.8 mt-10 -64.72 -33.91 77.06 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 123.505 0.722 . . . . 47.64 111.302 178.592 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' K' K ' 3' ' ' LEU . . . . . . . . . . . . . 54.1 mt -69.54 -38.23 77.41 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 113.86 1.059 . . . . 32.99 113.86 178.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 4' ' ' LYS . . . . . 0.434 ' O ' ' HG2' ' K' ' 8' ' ' GLN . 44.9 tttt -69.21 -39.01 78.86 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.348 -0.612 . . . . 68.96 109.348 176.56 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.75 -44.31 85.99 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.773 -0.649 . . . . 38.48 110.843 177.403 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 6' ' ' ILE . . . . . . . . . . . . . 36.5 mt -57.81 -54.19 35.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 123.94 0.896 . . . . 34.17 112.271 173.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.37 -38.32 63.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.475 -0.329 . . . . 32.87 111.719 175.51 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 8' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' K' ' 4' ' ' LYS . 19.6 mm100 -66.4 -32.41 73.77 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.232 0.827 . . . . 61.05 113.232 -179.713 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' K' K ' 9' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -78.98 -36.86 40.67 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.97 0.414 . . . . 53.52 111.198 176.066 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 10' ' ' LEU . . . . . . . . . . . . . 23.0 mt -56.61 -35.73 68.6 Favored 'General case' 0 CA--C 1.511 -0.555 0 N-CA-C 108.221 -1.029 . . . . 35.68 108.221 172.06 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 11' ' ' LYS . . . . . . . . . . . . . 19.2 tptt -66.45 -44.74 81.96 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.844 -1.071 . . . . 54.51 109.305 -178.301 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 12' ' ' ALA . . . . . 0.594 ' HA ' ' HE3' ' K' ' 15' ' ' LYS . . . -62.64 -39.87 95.23 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-O 121.243 0.544 . . . . 35.06 110.977 175.579 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' K' K ' 13' ' ' ILE . . . . . . . . . . . . . 70.3 mt -61.81 -50.7 79.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.28 -0.418 . . . . 33.28 112.029 178.389 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.45 -38.68 44.84 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.544 0.942 . . . . 40.39 113.544 176.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 15' ' ' LYS . . . . . 0.594 ' HE3' ' HA ' ' K' ' 12' ' ' ALA . 0.9 OUTLIER -71.4 -52.24 19.66 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 111.918 0.34 . . . . 56.2 111.918 -177.105 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' K' K ' 16' ' ' GLU . . . . . 0.568 ' N ' ' HG2' ' K' ' 15' ' ' LYS . 72.4 mm-40 -51.36 -42.84 61.61 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-O 121.144 0.497 . . . . 45.57 112.155 173.711 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.24 -34.56 78.39 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.945 -0.571 . . . . 43.43 112.019 175.177 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' K' K ' 18' ' ' LYS . . . . . . . . . . . . . 28.3 tttp -63.42 -47.6 81.24 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.469 -0.938 . . . . 59.86 108.469 176.425 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.93 -34.71 72.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.665 -0.698 . . . . 39.13 111.991 178.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 20' ' ' ILE . . . . . . . . . . . . . 55.1 mt -74.43 -40.22 48.92 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 CA-C-N 116.335 -0.393 . . . . 40.85 110.325 179.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 21' ' ' ALA . . . . . 0.402 ' O ' ' HG3' ' K' ' 25' ' ' LYS . . . -62.79 -33.0 74.28 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.838 -0.619 . . . . 37.32 110.252 179.171 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' K' K ' 22' ' ' TRP . . . . . . . . . . . . . 35.7 t-105 -81.69 -19.31 41.85 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.256 1.206 . . . . 53.5 114.256 -177.901 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 23' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -79.05 -27.54 43.13 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.944 -0.391 . . . . 69.37 109.944 172.722 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 24' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -74.61 -34.8 62.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 70.0 111.024 175.245 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 25' ' ' LYS . . . . . 0.414 ' O ' ' HG2' ' K' ' 29' ' ' GLN . 67.1 mttm -66.39 -34.7 78.55 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.069 -0.715 . . . . 63.97 109.069 175.505 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' K' K ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.3 -52.83 19.89 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.717 -0.674 . . . . 56.16 111.37 177.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 27' ' ' ILE . . . . . . . . . . . . . 67.7 mt -52.28 -30.42 13.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-O 120.861 0.363 . . . . 74.75 110.919 178.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.11 6.51 39.61 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.436 0.902 . . . . 63.49 113.436 178.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 29' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' K' ' 25' ' ' LYS . 9.8 mm100 -92.76 -65.62 0.99 Allowed 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 114.222 1.193 . . . . 57.84 114.222 179.838 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' K' K ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.435 0 C-N-CA 123.805 0.717 . . . . 57.3 112.4 1.37 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.267 . . . . . . . . 42.64 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 1' ' ' GLY . . . . . . . . . . . . . . . -106.71 -147.61 14.49 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 123.835 0.731 . . . . 45.33 113.082 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 2' ' ' GLU . . . . . 0.696 ' HA ' ' HE3' ' J' ' 4' ' ' LYS . 45.1 mt-10 -50.6 -32.44 18.82 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 123.753 0.821 . . . . 56.55 111.457 175.971 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' L' L ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.13 -48.69 56.44 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.787 0.662 . . . . 35.23 112.787 179.489 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' L' L ' 4' ' ' LYS . . . . . 0.713 ' HD2' ' O ' ' K' ' 50' ' ' HOH . 7.9 tptt -60.68 -37.03 80.22 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 120.412 -0.515 . . . . 55.07 110.485 176.469 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.67 -44.76 95.44 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.027 0.441 . . . . 29.01 111.618 179.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 6' ' ' ILE . . . . . . . . . . . . . 92.9 mt -51.72 -52.64 20.73 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.404 0 CA-C-N 116.195 -0.457 . . . . 35.21 110.761 171.715 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.41 -34.47 57.87 Favored 'General case' 0 C--O 1.219 -0.52 0 C-N-CA 122.825 0.45 . . . . 34.52 112.201 176.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 8' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -76.62 -39.73 51.54 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.749 -0.205 . . . . 64.91 110.575 -176.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 9' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -63.94 -47.21 81.41 Favored 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 109.694 -0.484 . . . . 39.94 109.694 173.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 10' ' ' LEU . . . . . . . . . . . . . 58.1 mt -52.31 -39.27 60.35 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 112.094 0.405 . . . . 34.44 112.094 175.208 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 11' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -64.99 -35.24 80.55 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.059 -0.518 . . . . 50.72 110.314 177.675 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.79 -40.51 75.98 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.028 -0.533 . . . . 32.97 111.643 178.187 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 13' ' ' ILE . . . . . 0.601 HG23 HD11 ' J' ' 17' ' ' LEU . 61.7 mt -59.51 -47.53 90.51 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-N 115.875 -0.602 . . . . 30.27 111.445 176.296 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.52 -32.87 67.48 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.641 -0.709 . . . . 36.62 111.69 177.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 15' ' ' LYS . . . . . . . . . . . . . 45.3 tttp -77.16 -41.47 41.55 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 116.52 -0.309 . . . . 51.74 111.464 -175.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 16' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -62.9 -42.92 99.95 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-O 120.731 0.3 . . . . 37.59 110.657 174.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -46.49 83.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.197 0.522 . . . . 35.78 110.492 176.576 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' L' L ' 18' ' ' LYS . . . . . . . . . . . . . 24.8 tttp -55.04 -38.52 68.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.454 -0.794 . . . . 59.08 111.023 175.774 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 19' ' ' ALA . . . . . 0.452 ' O ' ' HG2' ' L' ' 23' ' ' GLU . . . -65.54 -48.38 72.67 Favored 'General case' 0 C--O 1.225 -0.213 0 N-CA-C 113.474 0.916 . . . . 48.27 113.474 175.486 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' L' L ' 20' ' ' ILE . . . . . . . . . . . . . 32.0 mt -57.52 -36.54 54.06 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 N-CA-C 111.776 0.287 . . . . 40.99 111.776 176.603 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.4 -26.86 61.16 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.439 0.637 . . . . 44.98 109.704 -178.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 22' ' ' TRP . . . . . . . . . . . . . 70.4 t-105 -70.53 -44.81 66.79 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 114.717 -1.129 . . . . 63.63 110.391 -179.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 23' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' L' ' 19' ' ' ALA . 28.7 mm-40 -62.19 -47.85 82.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.565 -0.743 . . . . 71.01 109.861 174.958 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' L' L ' 24' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -57.48 -42.6 82.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.113 -0.494 . . . . 68.51 111.768 178.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 25' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -63.74 -29.59 70.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 73.97 110.406 177.677 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.31 -1.08 54.76 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 116.249 -0.432 . . . . 59.97 110.606 175.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 27' ' ' ILE . . . . . . . . . . . . . 29.2 mt -96.52 -64.23 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.859 -0.336 . . . . 59.09 111.56 174.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.323 -0.399 . . . . 60.21 111.82 -179.496 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 . . . . . . . . 44.93 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 1' ' ' GLY . . . . . 0.54 ' HA3' ' O ' ' I' ' 49' ' ' HOH . . . 103.03 160.96 25.51 Favored Glycine 0 C--N 1.332 0.342 0 O-C-N 123.318 0.386 . . . . 42.07 112.592 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' M' M ' 2' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -83.52 -15.79 48.01 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 115.393 1.627 . . . . 50.82 115.393 -175.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 3' ' ' LEU . . . . . . . . . . . . . 13.5 mt -70.38 -46.54 63.84 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 119.523 -0.871 . . . . 35.13 109.489 170.302 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 4' ' ' LYS . . . . . . . . . . . . . 37.8 tttt -53.28 -38.1 62.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.231 -0.441 . . . . 78.07 110.878 174.587 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.32 -32.58 58.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.733 0.301 . . . . 33.45 110.907 -176.374 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 6' ' ' ILE . . . . . . . . . . . . . 88.4 mt -65.8 -43.86 93.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.978 -0.379 . . . . 32.43 109.978 172.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.97 -31.48 72.74 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 119.657 -0.817 . . . . 31.12 111.615 179.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 8' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -71.2 -41.7 69.93 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.574 0.583 . . . . 53.12 112.574 -179.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 9' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -60.21 -42.73 95.75 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 116.328 -0.396 . . . . 49.72 110.491 172.099 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 10' ' ' LEU . . . . . . . . . . . . . 85.8 mt -63.6 -22.98 67.19 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.091 0.404 . . . . 34.32 112.091 175.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 11' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -80.1 -39.19 30.09 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.249 -0.649 . . . . 67.6 109.249 -179.537 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 12' ' ' ALA . . . . . 0.452 ' HA ' ' HE3' ' M' ' 15' ' ' LYS . . . -61.9 -41.27 97.7 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.141 -0.936 . . . . 35.52 109.833 176.062 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' M' M ' 13' ' ' ILE . . . . . . . . . . . . . 56.8 mt -65.77 -45.44 91.68 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.586 0 CA-C-N 114.687 -1.142 . . . . 31.37 111.348 -179.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.85 -32.46 72.8 Favored 'General case' 0 CA--C 1.51 -0.57 0 C-N-CA 122.686 0.394 . . . . 33.27 111.407 179.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 15' ' ' LYS . . . . . 0.452 ' HE3' ' HA ' ' M' ' 12' ' ' ALA . 12.4 ttpp -63.68 -57.58 9.57 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.202 -0.908 . . . . 45.44 110.423 177.991 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' M' M ' 16' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -52.07 -51.61 56.5 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.183 -0.462 . . . . 46.02 111.096 178.136 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 53.6 mt -56.18 -35.02 66.77 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.515 0.561 . . . . 35.52 112.515 179.437 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 18' ' ' LYS . . . . . 0.544 ' HA ' ' OE1' ' I' ' 16' ' ' GLU . 68.4 tttt -66.92 -33.18 75.03 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.286 -0.635 . . . . 58.32 109.286 179.996 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' M' M ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.14 -41.73 40.67 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.19 -0.459 . . . . 46.24 111.4 -177.352 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 20' ' ' ILE . . . . . . . . . . . . . 95.3 mt -62.85 -37.23 78.65 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 N-CA-C 109.115 -0.698 . . . . 40.25 109.115 175.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.93 -41.05 90.95 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 109.151 -0.685 . . . . 40.13 109.151 177.13 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 22' ' ' TRP . . . . . . . . . . . . . 51.2 m95 -77.38 -28.27 52.79 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 112.996 0.739 . . . . 73.74 112.996 -175.179 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 23' ' ' GLU . . . . . 0.438 ' O ' HG13 ' M' ' 27' ' ' ILE . 77.4 mm-40 -61.03 -51.56 68.68 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.696 -0.402 . . . . 58.92 109.926 169.453 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' M' M ' 24' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -57.54 -32.45 67.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 57.11 111.855 177.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 25' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -73.33 -44.39 59.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.081 0.467 . . . . 67.07 110.998 -178.85 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.34 -47.03 86.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.659 -0.7 . . . . 60.17 110.545 178.767 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 27' ' ' ILE . . . . . 0.438 HG13 ' O ' ' M' ' 23' ' ' GLU . 73.9 mt -56.84 -27.67 26.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-N 115.556 -0.747 . . . . 67.45 112.695 177.516 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' M' M ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.26 0 CA-C-O 121.098 0.475 . . . . 69.78 110.896 174.228 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 34' ' ' ' BR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' K' K ' 34' ' ' ' BR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 34' ' ' HOH . . . . . 0.539 ' O ' ' HA3' ' B' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 96' ' ' HOH . . . . . 0.417 ' O ' ' HE3' ' A' ' 22' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . 0.42 ' O ' ' HD3' ' A' ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 109' ' ' HOH . . . . . 0.718 ' O ' ' HA3' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 51' ' ' HOH . . . . . 0.91 ' O ' ' HA3' ' F' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 52' ' ' HOH . . . . . 0.423 ' O ' ' HA3' ' G' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 78' ' ' HOH . . . . . 0.935 ' O ' ' HA3' ' H' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 118' ' ' HOH . . . . . 0.625 ' O ' ' HA3' ' I' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 49' ' ' HOH . . . . . 0.54 ' O ' ' HA3' ' M' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' J' J ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' J' J ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' J' J ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' J' J ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' J' J ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' J' J ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' J' J ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' J' J ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' J' J ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' J' J ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' J' J ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' J' J ' 149' ' ' HOH . . . . . 0.905 ' O ' ' HB2' ' H' ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' K' K ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' K' K ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' K' K ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' K' K ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' K' K ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' K' K ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' K' K ' 50' ' ' HOH . . . . . 0.713 ' O ' ' HD2' ' L' ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' K' K ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' K' K ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' K' K ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' K' K ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 151' ' ' HOH . . . . . 0.534 ' O ' ' HB3' ' L' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' M' M ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' M' M ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.256 . . . . . . . . 43.86 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.718 ' HA3' ' O ' ' C' ' 109' ' ' HOH . . . 109.18 161.13 19.57 Favored Glycine 0 CA--C 1.519 0.332 0 O-C-N 123.618 0.574 . . . . 39.92 114.059 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -73.76 -32.45 63.82 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.116 0.566 . . . . 50.31 111.569 -173.967 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 92.9 mt -68.17 -35.12 77.53 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.064 0.394 . . . . 34.56 112.064 175.448 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.42 ' HD3' ' O ' ' A' ' 120' ' ' HOH . 18.8 tptm -63.5 -47.11 83.08 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 123.921 0.888 . . . . 63.98 110.65 173.94 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.42 -48.16 62.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.68 -0.691 . . . . 38.4 110.838 174.477 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.4 mt -60.96 -45.55 98.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-N 115.969 -0.56 . . . . 36.71 110.774 178.396 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.41 -31.41 72.61 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.892 0.377 . . . . 35.06 111.663 179.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -71.99 -35.26 69.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.954 0.407 . . . . 64.1 112.023 179.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.463 ' OE2' ' HE2' ' B' ' 11' ' ' LYS . 81.4 mm-40 -76.09 -28.72 57.66 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 108.645 -0.872 . . . . 50.06 108.645 -178.885 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.8 mt -72.18 -30.86 65.38 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 119.828 -0.749 . . . . 34.19 110.948 176.115 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.629 ' HB2' ' OE2' ' C' ' 9' ' ' GLU . 35.8 ttmt -63.63 -44.68 93.17 Favored 'General case' 0 C--O 1.241 0.633 0 CA-C-O 121.438 0.637 . . . . 71.23 110.136 173.831 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.53 -42.88 99.47 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 108.732 -0.84 . . . . 37.57 108.732 179.575 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.8 mt -60.29 -50.12 81.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 108.769 -0.826 . . . . 36.19 108.769 -178.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.5 -36.34 66.57 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 123.679 0.612 . . . . 38.5 110.749 -179.024 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.407 ' O ' ' HB3' ' A' ' 18' ' ' LYS . 33.1 tttm -63.66 -51.52 64.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.389 -0.823 . . . . 64.16 111.888 178.902 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -61.85 -37.57 84.99 Favored 'General case' 0 C--O 1.213 -0.848 0 C-N-CA 120.602 -0.439 . . . . 54.87 111.24 -178.779 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.5 mt -67.48 -24.29 65.58 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.586 -0.445 . . . . 31.04 111.036 176.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.407 ' HB3' ' O ' ' A' ' 15' ' ' LYS . 21.2 ttmt -68.52 -49.91 56.08 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 116.416 -0.356 . . . . 60.04 110.345 172.87 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.97 -43.19 77.34 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 116.23 -0.441 . . . . 33.66 111.839 176.929 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.431 ' O ' ' HD2' ' A' ' 24' ' ' HIS . 96.4 mt -64.78 -34.69 71.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.165 0.507 . . . . 27.81 110.372 179.628 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.19 -40.49 90.46 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 115.439 -0.8 . . . . 34.77 109.726 -179.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.417 ' HE3' ' O ' ' A' ' 96' ' ' HOH . 61.3 t-105 -67.13 -42.3 84.68 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.207 -0.906 . . . . 52.2 111.319 -179.477 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -63.13 -40.58 98.0 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.064 0.394 . . . . 62.15 112.064 179.84 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.431 ' HD2' ' O ' ' A' ' 20' ' ' ILE . 25.9 m-70 -65.35 -46.3 80.74 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.659 -0.497 . . . . 62.13 109.659 175.238 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -52.84 -42.92 65.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.835 -0.62 . . . . 55.78 110.246 175.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.32 -56.89 16.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.84 -0.618 . . . . 48.71 112.067 175.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.5 mt -46.23 -49.46 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.894 -0.41 . . . . 65.51 109.894 -179.766 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.87 -70.14 0.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.741 -0.384 . . . . 68.42 111.065 174.61 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 . . . . . 0 C--N 1.327 -0.399 0 C-N-CA 119.935 -0.706 . . . . 53.14 111.716 178.769 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.166 . . . . . . . . 35.58 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.539 ' HA3' ' O ' ' A' ' 34' ' ' HOH . . . 103.99 153.2 23.07 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 112.028 -0.429 . . . . 40.48 112.028 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.591 ' OE1' ' HA ' ' G' ' 4' ' ' LYS . 14.5 tp10 -79.09 -21.57 46.51 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 119.813 -0.755 . . . . 39.75 112.191 -178.556 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 65.2 mt -79.6 -41.93 26.05 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.122 0.487 . . . . 32.94 109.72 173.041 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.407 ' O ' ' HG2' ' B' ' 8' ' ' GLN . 2.1 tttm -56.12 -45.67 79.41 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.62 -0.882 . . . . 66.19 108.62 174.444 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.43 -45.62 93.53 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.895 -0.78 . . . . 32.94 108.895 -177.9 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 39.1 mt -55.14 -47.77 76.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 119.92 -0.712 . . . . 35.31 110.354 179.699 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.67 -35.2 63.31 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.347 0.869 . . . . 30.33 113.347 174.373 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' B' ' 4' ' ' LYS . 8.5 mm-40 -68.26 -39.39 82.24 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.274 0.559 . . . . 56.9 110.531 -177.516 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.485 ' O ' HG13 ' B' ' 13' ' ' ILE . 78.6 mm-40 -69.41 -33.08 72.47 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.442 -0.799 . . . . 39.1 110.925 179.593 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.61 -32.85 70.35 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 109.698 -0.482 . . . . 36.24 109.698 175.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.463 ' HE2' ' OE2' ' A' ' 9' ' ' GLU . 32.9 ttmt -64.11 -46.62 83.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.696 -0.683 . . . . 58.15 109.402 176.63 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.76 -35.27 77.62 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.367 -0.605 . . . . 34.94 109.367 178.799 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.485 HG13 ' O ' ' B' ' 9' ' ' GLU . 70.2 mt -64.55 -52.27 57.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-N 115.955 -0.566 . . . . 33.39 111.041 -177.906 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.94 -34.7 63.46 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.747 0.819 . . . . 31.36 112.362 175.559 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 38.3 tttp -62.9 -49.2 75.75 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 116.204 -0.453 . . . . 61.82 111.01 177.028 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -63.23 -42.94 99.29 Favored 'General case' 0 CA--C 1.527 0.075 0 N-CA-C 112.089 0.404 . . . . 39.39 112.089 176.348 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 50.9 mt -62.67 -31.87 72.84 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 119.845 -0.742 . . . . 29.45 110.066 -179.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -68.49 -45.2 73.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.739 0.78 . . . . 68.64 108.91 -179.317 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.39 -38.69 77.84 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 114.99 -1.005 . . . . 32.03 110.023 175.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 87.3 mt -71.4 -41.08 73.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.273 -0.421 . . . . 34.98 110.916 -179.407 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.67 -37.07 75.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.933 0.396 . . . . 42.97 110.235 179.375 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' TRP . . . . . 0.406 ' HA ' ' HE3' ' B' ' 25' ' ' LYS . 75.9 t-105 -71.38 -47.56 55.47 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.298 -0.864 . . . . 67.42 112.066 -178.435 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.543 ' O ' HG12 ' B' ' 27' ' ' ILE . 77.1 mm-40 -62.73 -23.24 67.07 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 123.213 0.321 . . . . 63.38 111.129 -179.1 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -75.07 -44.96 44.55 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.652 -0.499 . . . . 71.37 109.652 171.401 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.406 ' HE3' ' HA ' ' B' ' 22' ' ' TRP . 32.2 mtmt -63.46 -18.65 63.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 69.84 109.981 173.868 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -94.65 -2.6 51.01 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.678 0.992 . . . . 69.94 113.678 178.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.543 HG12 ' O ' ' B' ' 23' ' ' GLU . 27.3 pt . . . . . 0 N--CA 1.468 0.466 0 CA-C-O 121.17 0.51 . . . . 76.67 111.847 175.828 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.403 . . . . . . . . 52.53 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . 60.41 -134.72 50.08 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 116.181 1.232 . . . . 46.21 116.181 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -77.2 -36.01 55.25 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-O 121.211 0.529 . . . . 58.07 112.224 -171.287 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 47.7 mt -68.13 -34.13 75.79 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.728 -0.669 . . . . 39.54 109.337 176.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -63.02 -52.74 61.72 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.76 -0.654 . . . . 61.71 110.156 173.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.14 -31.34 41.84 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.275 0.56 . . . . 36.22 111.471 179.666 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 60.2 mt -73.41 -42.67 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 115.768 -0.651 . . . . 34.4 110.412 -179.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.49 96.38 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 120.418 -0.513 . . . . 34.91 112.338 177.801 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -68.4 -34.56 76.23 Favored 'General case' 0 C--O 1.243 0.751 0 N-CA-C 112.809 0.67 . . . . 49.9 112.809 -179.622 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' GLU . . . . . 0.629 ' OE2' ' HB2' ' A' ' 11' ' ' LYS . 15.5 mm-40 -66.38 -42.1 88.43 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 119.988 -0.685 . . . . 51.93 110.216 172.505 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' LEU . . . . . . . . . . . . . 32.7 mt -58.27 -43.6 88.03 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-O 121.372 0.606 . . . . 27.69 110.29 176.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' LYS . . . . . 0.729 ' HE2' ' OE2' ' F' ' 9' ' ' GLU . 12.9 ttmt -58.36 -50.72 72.65 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.192 -1.41 . . . . 49.55 107.192 -178.999 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.62 -36.91 74.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.884 -0.598 . . . . 30.84 110.852 -179.537 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 78.6 mt -65.09 -46.35 91.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-O 121.764 0.792 . . . . 26.7 111.249 179.063 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.48 -40.59 75.18 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 115.132 -0.94 . . . . 32.07 110.67 176.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -64.46 -44.13 92.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.672 -0.24 . . . . 61.44 111.234 -179.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -68.39 -33.71 74.72 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.082 0.401 . . . . 40.09 112.082 179.236 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' C' ' 17' ' ' LEU . 18.2 mt -62.74 -38.32 90.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.985 0.421 . . . . 26.89 110.634 175.712 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -66.96 -34.23 77.32 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.193 -0.912 . . . . 46.82 110.105 179.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.24 -46.15 81.74 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.258 -0.428 . . . . 35.21 110.144 177.072 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 87.3 mt -59.58 -46.38 93.17 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.284 0 C-N-CA 120.565 -0.454 . . . . 32.74 110.773 178.658 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.31 -43.72 83.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.952 0.406 . . . . 42.91 111.465 -179.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 22' ' ' TRP . . . . . . . . . . . . . 63.6 t-105 -57.64 -44.1 85.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.18 -0.464 . . . . 42.82 111.769 178.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -67.08 -32.31 73.39 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.799 0.666 . . . . 46.53 112.799 -179.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 24' ' ' HIS . . . . . 0.534 ' O ' HG12 ' C' ' 27' ' ' ILE . 52.2 m-70 -65.78 -51.58 57.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.96 0.41 . . . . 63.38 110.239 175.089 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -57.18 -30.43 64.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.856 -0.611 . . . . 65.96 111.413 178.355 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.71 4.43 36.67 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.663 0.616 . . . . 76.73 112.663 -171.183 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 27' ' ' ILE . . . . . 0.534 HG12 ' O ' ' C' ' 24' ' ' HIS . 12.3 pt -102.7 113.4 39.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-O 120.947 0.403 . . . . 77.05 111.238 172.65 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 115.989 -0.55 . . . . 71.84 111.034 177.518 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.082 . . . . . . . . 38.41 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . 108.12 165.61 21.31 Favored Glycine 0 C--N 1.33 0.24 0 N-CA-C 116.065 1.186 . . . . 35.95 116.065 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -69.9 -33.36 72.08 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.802 0.441 . . . . 52.4 112.037 -177.864 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 3' ' ' LEU . . . . . . . . . . . . . 85.5 mt -69.14 -38.34 78.77 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 123.236 0.335 . . . . 36.88 111.793 177.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -65.78 -37.46 86.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.259 -0.428 . . . . 65.3 110.406 174.101 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.38 -47.92 83.99 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.545 -0.539 . . . . 34.87 109.545 177.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 6' ' ' ILE . . . . . . . . . . . . . 74.5 mt -56.69 -48.65 80.46 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 115.451 -0.795 . . . . 32.55 113.139 174.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.85 -28.9 69.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.48 -0.327 . . . . 36.7 111.664 179.046 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 8' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -78.74 -33.98 46.17 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 112.205 0.446 . . . . 66.14 112.205 -177.212 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 9' ' ' GLU . . . . . 0.437 ' OE1' ' HA ' ' F' ' 11' ' ' LYS . 80.1 mm-40 -69.91 -32.83 71.35 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.001 -0.74 . . . . 43.82 109.001 175.859 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 10' ' ' LEU . . . . . . . . . . . . . 61.9 mt -70.74 -23.46 62.44 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 109.576 -0.527 . . . . 35.8 109.576 178.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 11' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -78.49 -37.5 43.09 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 107.777 -1.194 . . . . 73.42 107.777 178.27 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.66 -38.52 83.9 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.323 0.582 . . . . 28.71 109.498 178.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 56.8 mt -63.64 -46.56 94.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 CA-C-N 115.879 -0.6 . . . . 31.33 111.466 178.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.91 -35.04 68.55 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.518 -0.31 . . . . 34.74 111.575 177.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 46.0 tttm -64.92 -53.17 50.67 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.302 -0.408 . . . . 51.42 111.042 -177.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 16' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -59.44 -44.62 92.91 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 113.266 0.839 . . . . 44.16 113.266 177.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.431 ' HA ' HD23 ' E' ' 17' ' ' LEU . 1.1 mt -52.51 -47.06 66.85 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.591 0.71 . . . . 36.19 110.566 172.494 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 18' ' ' LYS . . . . . 0.461 ' HG3' ' OE2' ' G' ' 16' ' ' GLU . 38.1 tttp -56.17 -42.48 77.12 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 115.155 -0.93 . . . . 56.16 109.246 179.363 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.14 -42.44 80.13 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.207 0.527 . . . . 38.1 112.105 -178.63 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 67.7 mt -62.94 -39.32 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.616 0 N-CA-C 108.978 -0.749 . . . . 40.18 108.978 174.989 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.66 92.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 37.61 110.345 179.791 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 22' ' ' TRP . . . . . . . . . . . . . 27.9 t-105 -72.6 -23.8 61.0 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 112.219 0.451 . . . . 65.48 112.219 178.782 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 23' ' ' GLU . . . . . 0.462 ' CD ' ' HD2' ' F' ' 25' ' ' LYS . 12.1 mm-40 -66.66 -45.02 80.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.574 -0.284 . . . . 66.86 111.239 173.661 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 24' ' ' HIS . . . . . . . . . . . . . 56.8 m-70 -63.21 -35.17 79.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.339 -0.391 . . . . 71.63 111.86 178.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 25' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -66.93 -40.52 87.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.748 0.309 . . . . 69.15 111.202 179.028 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 26' ' ' ALA . . . . . 0.498 ' HB2' ' NE1' ' H' ' 22' ' ' TRP . . . -62.42 -38.55 90.12 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 121.162 0.506 . . . . 61.78 112.013 179.058 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 27' ' ' ILE . . . . . 0.629 HD11 HD12 ' F' ' 27' ' ' ILE . 32.0 mt -65.0 -45.95 93.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 109.314 -0.624 . . . . 76.0 109.314 174.023 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.09 -22.74 11.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.416 -0.356 . . . . 58.12 110.232 178.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 56.86 111.09 176.875 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.493 . . . . . . . . 42.59 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 1' ' ' GLY . . . . . 0.91 ' HA3' ' O ' ' F' ' 51' ' ' HOH . . . 146.22 176.82 20.4 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.4 -0.68 . . . . 45.39 111.4 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -83.06 -42.91 16.9 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 109.808 -0.441 . . . . 56.16 109.808 166.187 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -47.75 82.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 36.1 110.653 176.33 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 4' ' ' LYS . . . . . 0.557 ' O ' ' HG2' ' F' ' 8' ' ' GLN . 44.9 tptt -52.83 -41.58 64.35 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 121.182 0.515 . . . . 73.82 110.622 174.765 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.56 -36.09 80.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.676 -0.693 . . . . 34.82 111.261 -178.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 6' ' ' ILE . . . . . . . . . . . . . 52.4 mt -64.45 -41.07 91.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-O 121.053 0.454 . . . . 34.48 110.287 177.907 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.76 -35.95 81.47 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.098 0.407 . . . . 32.4 112.098 177.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 8' ' ' GLN . . . . . 0.557 ' HG2' ' O ' ' F' ' 4' ' ' LYS . 0.4 OUTLIER -68.12 -41.64 81.41 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 111.659 0.244 . . . . 74.27 111.659 -179.77 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' F' F ' 9' ' ' GLU . . . . . 0.729 ' OE2' ' HE2' ' C' ' 11' ' ' LYS . 77.4 mm-40 -66.63 -38.36 86.76 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 116.184 -0.462 . . . . 44.73 110.718 176.77 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 10' ' ' LEU . . . . . . . . . . . . . 41.7 mt -65.28 -31.63 72.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.178 0.513 . . . . 33.46 109.725 177.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 11' ' ' LYS . . . . . 0.437 ' HA ' ' OE1' ' E' ' 9' ' ' GLU . 38.6 ttmt -71.04 -35.46 71.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.745 -0.662 . . . . 82.42 109.372 178.335 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.17 -38.1 84.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.636 -0.711 . . . . 33.74 110.855 175.209 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 13' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.16 -48.54 87.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 CA-C-N 115.946 -0.57 . . . . 28.73 110.602 178.273 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.34 -39.18 63.92 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 115.733 -0.667 . . . . 27.99 111.535 175.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 15' ' ' LYS . . . . . . . . . . . . . 31.0 tttm -69.11 -43.91 73.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.074 -0.512 . . . . 56.96 110.956 -175.222 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 16' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -67.86 -35.12 77.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.904 0.383 . . . . 40.24 110.871 178.619 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' F' ' 17' ' ' LEU . 0.1 OUTLIER -65.29 -37.44 87.16 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.716 -0.675 . . . . 31.6 109.846 178.163 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' F' F ' 18' ' ' LYS . . . . . . . . . . . . . 48.0 tttp -68.42 -28.05 66.74 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.384 -0.825 . . . . 62.6 111.56 178.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 19' ' ' ALA . . . . . 0.484 ' O ' ' HG2' ' F' ' 23' ' ' GLU . . . -74.85 -37.63 62.19 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.364 -0.38 . . . . 43.66 111.318 177.018 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 2.9 mt -63.15 -39.15 84.13 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 CA-C-N 115.994 -0.548 . . . . 37.63 110.871 176.49 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.35 -26.94 62.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.187 0.518 . . . . 37.94 110.292 -177.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 22' ' ' TRP . . . . . 0.601 ' CH2' ' HZ2' ' I' ' 22' ' ' TRP . 76.2 t-105 -71.92 -45.06 62.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.219 -0.901 . . . . 62.3 111.764 179.559 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 23' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' F' ' 19' ' ' ALA . 33.4 mm-40 -64.47 -42.88 95.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.505 . . . . 59.31 109.74 175.439 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 24' ' ' HIS . . . . . 0.492 ' O ' HG12 ' F' ' 27' ' ' ILE . 56.2 m-70 -60.77 -37.26 81.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.058 -0.519 . . . . 63.29 110.664 176.181 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 25' ' ' LYS . . . . . 0.954 ' HG3' ' HD3' ' I' ' 25' ' ' LYS . 0.4 OUTLIER -65.21 -32.73 74.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.984 0.421 . . . . 64.89 109.968 179.064 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' F' F ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.54 -49.08 70.26 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.886 -0.597 . . . . 62.43 111.987 175.513 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 27' ' ' ILE . . . . . 0.629 HD12 HD11 ' E' ' 27' ' ' ILE . 27.2 pt -59.38 -70.14 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 119.584 -0.847 . . . . 73.4 111.373 173.121 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 N-CA-C 112.218 0.451 . . . . 61.1 112.218 -174.124 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.42 . . . . . . . . 42.11 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 1' ' ' GLY . . . . . 0.423 ' HA3' ' O ' ' G' ' 52' ' ' HOH . . . 107.48 162.24 21.52 Favored Glycine 0 CA--C 1.519 0.339 0 N-CA-C 114.158 0.423 . . . . 36.7 114.158 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' G' G ' 2' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -78.78 -26.9 44.48 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.832 1.049 . . . . 57.33 113.832 -178.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 3' ' ' LEU . . . . . . . . . . . . . 47.3 mt -65.39 -41.87 93.24 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.04 -0.664 . . . . 27.57 111.073 168.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 4' ' ' LYS . . . . . 0.591 ' HA ' ' OE1' ' B' ' 2' ' ' GLU . 74.9 tttt -60.7 -42.4 97.09 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.085 0.402 . . . . 63.42 112.085 177.251 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' G' G ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.43 -29.9 70.14 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 120.877 0.37 . . . . 33.58 110.745 178.385 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 6' ' ' ILE . . . . . . . . . . . . . 31.1 mt -69.63 -39.84 78.72 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.35 0 CA-C-N 116.251 -0.431 . . . . 31.07 111.285 176.838 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.12 -33.09 75.19 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 112.102 0.408 . . . . 30.16 112.102 174.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 8' ' ' GLN . . . . . 0.564 HE21 ' HA ' ' G' ' 8' ' ' GLN . 0.0 OUTLIER -66.25 -41.73 89.55 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.782 0.833 . . . . 58.57 112.434 -179.403 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' G' G ' 9' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -69.33 -40.5 77.54 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 115.141 -0.936 . . . . 52.29 110.64 176.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 10' ' ' LEU . . . . . . . . . . . . . 68.1 mt -63.18 -26.55 68.86 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 120.582 -0.447 . . . . 29.8 111.368 175.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 11' ' ' LYS . . . . . . . . . . . . . 15.7 tttm -79.02 -37.56 38.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.378 0.609 . . . . 59.8 109.853 -176.203 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.15 -33.97 74.26 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.114 -0.948 . . . . 36.27 109.112 178.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 13' ' ' ILE . . . . . . . . . . . . . 41.3 mt -68.7 -39.95 80.94 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.615 0 CA-C-N 115.362 -0.835 . . . . 34.36 109.888 -179.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.43 -34.87 78.7 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 123.862 0.726 . . . . 30.66 112.487 -178.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 15' ' ' LYS . . . . . 0.41 ' O ' ' HB3' ' G' ' 18' ' ' LYS . 0.0 OUTLIER -80.46 -38.65 29.6 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 123.568 0.542 . . . . 70.43 112.209 -176.665 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' G' G ' 16' ' ' GLU . . . . . 0.461 ' OE2' ' HG3' ' E' ' 18' ' ' LYS . 54.9 mm-40 -54.93 -42.45 72.29 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 116.317 -0.401 . . . . 45.99 110.336 167.796 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 41.2 mt -70.25 -33.76 72.02 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 121.344 0.593 . . . . 31.47 110.187 179.328 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 18' ' ' LYS . . . . . 0.41 ' HB3' ' O ' ' G' ' 15' ' ' LYS . 53.6 tptt -57.36 -47.16 82.34 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.254 -0.885 . . . . 55.06 108.771 174.889 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.47 -49.37 66.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.243 -0.435 . . . . 46.43 111.698 -175.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 20' ' ' ILE . . . . . . . . . . . . . 92.7 mt -55.19 -44.92 76.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.122 -0.49 . . . . 38.67 110.821 176.646 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.32 -34.53 68.84 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 108.831 -0.803 . . . . 41.48 108.831 179.685 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 22' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -73.43 -41.1 63.68 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.614 -0.721 . . . . 75.92 112.188 -179.839 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 23' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -54.64 -49.64 70.06 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 123.238 0.336 . . . . 62.64 110.981 174.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 24' ' ' HIS . . . . . 0.416 ' HB3' ' HB3' ' B' ' 23' ' ' GLU . 59.5 m-70 -58.63 -37.37 75.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.782 0.325 . . . . 57.88 111.557 179.01 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' G' G ' 25' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -69.59 -44.01 71.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 69.12 110.663 179.342 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.46 -51.8 61.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.855 -0.612 . . . . 61.52 109.691 177.784 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 27' ' ' ILE . . . . . . . . . . . . . 1.6 mm -55.19 -20.39 6.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.553 -0.749 . . . . 69.34 111.938 179.366 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.52 4.05 29.7 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.799 -0.445 . . . . 82.86 109.799 177.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 29' ' ' GLN . . . . . . . . . . . . . 51.8 mm-40 . . . . . 0 C--N 1.329 -0.296 0 N-CA-C 112.225 0.454 . . . . 64.08 112.225 172.537 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.261 . . . . . . . . 39.27 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 1' ' ' GLY . . . . . 0.935 ' HA3' ' O ' ' H' ' 78' ' ' HOH . . . 149.0 172.36 18.66 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 110.197 -1.161 . . . . 47.54 110.197 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 2' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -85.01 -33.33 22.57 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 106.072 -1.825 . . . . 56.98 106.072 171.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 3' ' ' LEU . . . . . 0.692 ' HB3' ' HB3' ' J' ' 2' ' ' GLU . 0.2 OUTLIER -63.63 -41.09 98.3 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.089 -0.96 . . . . 41.19 111.756 174.762 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' H' H ' 4' ' ' LYS . . . . . 0.559 ' N ' ' HG2' ' J' ' 2' ' ' GLU . 15.3 tppt? -58.43 -50.41 73.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 53.62 110.588 174.18 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.17 -43.22 70.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.729 -0.669 . . . . 35.82 111.562 179.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 6' ' ' ILE . . . . . . . . . . . . . 50.5 mt -63.31 -44.73 99.25 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-N 116.129 -0.487 . . . . 33.52 112.18 176.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.15 -40.08 94.78 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.49 -0.484 . . . . 31.07 110.795 178.105 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 8' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -66.54 -32.66 74.14 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.568 0.581 . . . . 69.32 112.568 178.814 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 9' ' ' GLU . . . . . 0.606 ' CD ' ' HG3' ' I' ' 11' ' ' LYS . 80.9 mm-40 -74.44 -33.56 62.97 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.492 -0.483 . . . . 53.4 110.694 177.137 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 10' ' ' LEU . . . . . . . . . . . . . 51.6 mt -69.76 -30.89 68.58 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 120.52 -0.472 . . . . 35.52 110.793 173.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 11' ' ' LYS . . . . . 0.526 ' HA ' ' OE1' ' J' ' 9' ' ' GLU . 23.1 ttmm -63.15 -46.77 85.62 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.486 -0.486 . . . . 54.05 109.911 175.784 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.11 -39.58 82.72 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.892 -0.595 . . . . 40.84 109.81 179.159 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 13' ' ' ILE . . . . . . . . . . . . . 48.9 mt -67.12 -48.97 77.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 110.167 -0.309 . . . . 31.27 110.167 -174.967 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.08 -36.31 60.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.355 0.598 . . . . 34.73 109.62 177.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 12.6 tttm -62.74 -50.71 70.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.443 -0.799 . . . . 58.86 112.392 176.617 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 16' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -64.2 -25.56 68.13 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 120.841 -0.344 . . . . 49.25 111.569 -178.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.477 ' CD1' HG23 ' J' ' 13' ' ' ILE . 59.0 mt -75.31 -34.32 61.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.893 0.378 . . . . 30.83 110.023 177.017 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 18' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -64.24 -42.49 96.5 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 115.856 -0.611 . . . . 60.65 111.498 177.279 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.79 -44.59 92.87 Favored 'General case' 0 C--N 1.334 -0.089 0 N-CA-C 112.593 0.59 . . . . 36.74 112.593 176.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 20' ' ' ILE . . . . . 0.405 ' O ' ' HD2' ' H' ' 24' ' ' HIS . 64.3 mt -62.01 -39.44 83.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.482 -0.326 . . . . 35.55 110.657 177.237 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.4 -36.38 82.7 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 120.956 0.408 . . . . 37.21 109.924 -179.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 22' ' ' TRP . . . . . 0.498 ' NE1' ' HB2' ' E' ' 26' ' ' ALA . 73.2 t-105 -66.98 -44.92 79.17 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.234 -0.894 . . . . 60.2 111.328 177.863 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 23' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -62.16 -35.22 78.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.729 0.299 . . . . 70.7 111.759 177.405 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 24' ' ' HIS . . . . . 0.405 ' HD2' ' O ' ' H' ' 20' ' ' ILE . 54.7 m-70 -67.37 -34.38 77.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.94 0.4 . . . . 72.86 110.449 175.713 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 25' ' ' LYS . . . . . . . . . . . . . 42.4 tttp -65.48 -34.63 78.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.81 -0.632 . . . . 50.65 109.877 179.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.53 -48.5 72.27 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.405 -0.816 . . . . 65.6 112.106 178.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 27' ' ' ILE . . . . . . . . . . . . . 44.4 mt -46.09 -61.99 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 64.42 110.329 176.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 28' ' ' ALA . . . . . 0.905 ' HB2' ' O ' ' J' ' 149' ' ' HOH . . . -48.75 -56.17 9.38 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.367 0.506 . . . . 80.94 112.367 -178.396 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 29' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -80.03 -1.46 39.88 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.426 -0.51 . . . . 74.01 110.902 -177.4 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 CA-C-N 116.171 -0.468 . . . . 62.13 112.506 178.049 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.569 . . . . . . . . 38.88 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 1' ' ' GLY . . . . . 0.625 ' HA3' ' O ' ' H' ' 118' ' ' HOH . . . 109.18 154.31 15.83 Favored Glycine 0 CA--C 1.519 0.344 0 N-CA-C 114.816 0.686 . . . . 35.98 114.816 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 2' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -79.02 -23.04 44.62 Favored 'General case' 0 C--O 1.223 -0.324 0 C-N-CA 122.889 0.476 . . . . 48.03 111.923 -175.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 3' ' ' LEU . . . . . . . . . . . . . 94.9 mt -81.45 -35.27 30.78 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.348 0.594 . . . . 38.73 111.336 177.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 4' ' ' LYS . . . . . 0.438 ' O ' ' HG2' ' I' ' 8' ' ' GLN . 10.2 tppt? -64.11 -37.06 86.07 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 109.005 -0.739 . . . . 65.61 109.005 173.976 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.72 -48.87 75.33 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 108.378 -0.971 . . . . 34.32 108.378 -179.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 6' ' ' ILE . . . . . . . . . . . . . 16.6 mt -51.35 -45.76 33.62 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 CA-C-N 115.754 -0.657 . . . . 33.45 112.135 176.831 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.99 -33.09 74.67 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.241 0.46 . . . . 33.1 112.241 178.081 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 8' ' ' GLN . . . . . 0.507 ' OE1' ' HE3' ' I' ' 11' ' ' LYS . 27.8 mm100 -71.45 -32.9 68.87 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 109.734 -0.469 . . . . 56.94 109.734 -178.208 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 9' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -73.53 -41.13 63.41 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.296 -0.411 . . . . 44.56 111.121 176.453 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 10' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.61 -39.34 90.9 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.035 -0.666 . . . . 31.39 110.873 175.068 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 11' ' ' LYS . . . . . 0.606 ' HG3' ' CD ' ' H' ' 9' ' ' GLU . 7.8 mtmm -56.15 -47.83 77.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.963 -0.562 . . . . 55.86 110.005 174.405 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.57 -29.05 69.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.615 0.722 . . . . 34.39 110.441 -177.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 13' ' ' ILE . . . . . . . . . . . . . 37.1 mt -70.09 -45.24 76.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 115.275 -0.875 . . . . 33.78 109.659 -178.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.85 -39.33 84.83 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.825 0.85 . . . . 32.42 113.233 176.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 15' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -63.71 -38.66 91.96 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.201 0.445 . . . . 70.4 112.201 177.581 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 16' ' ' GLU . . . . . 0.544 ' OE1' ' HA ' ' M' ' 18' ' ' LYS . 63.5 mm-40 -66.99 -48.93 66.94 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.577 -0.449 . . . . 46.19 109.946 175.295 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 48.5 mt -57.96 -35.18 70.78 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.866 -0.734 . . . . 33.12 111.912 -179.507 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 18' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -66.21 -41.52 90.01 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 121.19 0.519 . . . . 71.31 111.517 176.105 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.49 -41.95 95.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.885 0.85 . . . . 34.05 108.827 174.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 20' ' ' ILE . . . . . . . . . . . . . 77.6 mt -66.83 -40.04 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-N 115.024 -0.989 . . . . 37.38 110.221 -178.015 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.47 -38.78 91.19 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.784 -0.366 . . . . 36.09 110.735 179.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 22' ' ' TRP . . . . . 0.601 ' HZ2' ' CH2' ' F' ' 22' ' ' TRP . 75.9 t-105 -73.06 -40.35 65.15 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.55 0.574 . . . . 56.26 112.55 -177.118 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 23' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -68.21 -26.28 65.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.974 0.416 . . . . 61.24 110.612 177.043 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.18 -26.26 66.55 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.417 -0.586 . . . . 71.68 109.417 174.057 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 25' ' ' LYS . . . . . 0.954 ' HD3' ' HG3' ' F' ' 25' ' ' LYS . 74.3 mttt -83.52 -1.72 54.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.486 -0.779 . . . . 74.57 109.718 176.706 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 26' ' ' ALA . . . . . . . . . . . . . . . -101.75 -66.45 0.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.524 -0.762 . . . . 77.34 110.917 176.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 27' ' ' ILE . . . . . . . . . . . . . 31.9 pt . . . . . 0 C--N 1.329 -0.293 0 N-CA-C 112.573 0.583 . . . . 64.65 112.573 -177.931 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' J' J ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.328 . . . . . . . . 51.85 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' J' J ' 1' ' ' GLY . . . . . . . . . . . . . . . -100.5 -148.54 22.42 Favored Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 109.894 -1.283 . . . . 46.54 109.894 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 2' ' ' GLU . . . . . 0.692 ' HB3' ' HB3' ' H' ' 3' ' ' LEU . 3.9 tp10 -71.39 -19.08 62.32 Favored 'General case' 0 N--CA 1.439 -0.987 0 N-CA-C 109.081 -0.711 . . . . 64.29 109.081 174.285 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 3' ' ' LEU . . . . . . . . . . . . . 15.4 mt -65.08 -55.58 17.97 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 112.768 0.655 . . . . 36.4 112.768 178.514 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 4' ' ' LYS . . . . . 0.696 ' HE3' ' HA ' ' L' ' 2' ' ' GLU . 20.0 mmtp -61.11 -34.43 74.95 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 119.783 -0.767 . . . . 64.62 111.815 172.659 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.26 -39.46 79.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.719 0.771 . . . . 30.09 109.164 175.606 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 6' ' ' ILE . . . . . 0.448 ' O ' ' HG ' ' J' ' 10' ' ' LEU . 35.6 mt -68.52 -39.88 81.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 CA-C-N 114.963 -1.017 . . . . 36.61 110.581 -179.903 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.54 -33.02 74.68 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 112.636 0.606 . . . . 32.14 112.636 176.44 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 8' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -72.8 -35.41 67.35 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-O 120.967 0.413 . . . . 54.6 110.22 -177.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 9' ' ' GLU . . . . . 0.526 ' OE1' ' HA ' ' H' ' 11' ' ' LYS . 8.7 mm-40 -65.93 -38.31 88.32 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.887 -0.597 . . . . 60.43 109.791 174.886 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 10' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' J' ' 6' ' ' ILE . 90.2 mt -64.91 -42.63 94.57 Favored 'General case' 0 N--CA 1.462 0.17 0 O-C-N 123.174 0.296 . . . . 28.77 111.198 178.181 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 11' ' ' LYS . . . . . . . . . . . . . 17.5 mttm -54.32 -52.58 61.07 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 108.207 -1.035 . . . . 56.54 108.207 173.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.38 -32.43 68.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.505 -0.771 . . . . 30.12 111.481 -177.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 13' ' ' ILE . . . . . 0.477 HG23 ' CD1' ' H' ' 17' ' ' LEU . 29.6 mt -72.38 -45.72 59.26 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 CA-C-O 121.445 0.64 . . . . 25.55 109.627 -178.871 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.57 -37.47 73.22 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.148 -0.933 . . . . 32.64 110.493 176.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 15' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -64.93 -43.21 93.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 64.33 110.76 -178.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 16' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -69.33 -40.92 77.31 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.181 0.437 . . . . 46.51 112.181 178.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.601 HD11 HG23 ' L' ' 13' ' ' ILE . 34.0 mt -57.05 -33.1 66.9 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-O 120.883 0.373 . . . . 28.81 111.206 176.137 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 18' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -70.82 -45.57 64.34 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.729 -0.841 . . . . 46.65 108.729 179.151 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.58 -50.14 60.74 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.111 -0.949 . . . . 37.52 111.01 173.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 20' ' ' ILE . . . . . . . . . . . . . 66.3 mt -60.54 -43.26 94.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 119.881 -0.728 . . . . 34.36 111.217 -178.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.75 -44.22 90.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.972 0.415 . . . . 44.27 111.472 179.673 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 22' ' ' TRP . . . . . . . . . . . . . 58.8 t-105 -57.63 -48.1 80.39 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.005 0.372 . . . . 55.68 112.005 179.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 23' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -59.46 -45.05 92.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.365 -0.38 . . . . 48.05 110.715 178.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 24' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -56.71 -42.2 78.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.864 0.364 . . . . 71.18 110.524 175.122 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 25' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -62.6 -33.24 74.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 62.78 110.787 178.072 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 26' ' ' ALA . . . . . . . . . . . . . . . -87.14 3.59 45.72 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 114.773 1.397 . . . . 78.71 114.773 -175.413 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 27' ' ' ILE . . . . . 0.684 ' O ' HG13 ' J' ' 27' ' ' ILE . 14.2 pt . . . . . 0 N--CA 1.467 0.384 0 N-CA-C 112.836 0.68 . . . . 72.87 112.836 178.053 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.252 . . . . . . . . 44.07 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . 106.8 162.96 22.27 Favored Glycine 0 N--CA 1.452 -0.263 0 N-CA-C 116.034 1.174 . . . . 33.01 116.034 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 2' ' ' GLU . . . . . 0.709 ' HG2' ' HD3' ' L' ' 4' ' ' LYS . 31.8 mt-10 -64.72 -33.91 77.06 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 123.505 0.722 . . . . 47.64 111.302 178.592 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' K' K ' 3' ' ' LEU . . . . . . . . . . . . . 54.1 mt -69.54 -38.23 77.41 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 113.86 1.059 . . . . 32.99 113.86 178.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 4' ' ' LYS . . . . . 0.434 ' O ' ' HG2' ' K' ' 8' ' ' GLN . 44.9 tttt -69.21 -39.01 78.86 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.348 -0.612 . . . . 68.96 109.348 176.56 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.75 -44.31 85.99 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.773 -0.649 . . . . 38.48 110.843 177.403 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 6' ' ' ILE . . . . . . . . . . . . . 36.5 mt -57.81 -54.19 35.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 123.94 0.896 . . . . 34.17 112.271 173.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.37 -38.32 63.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.475 -0.329 . . . . 32.87 111.719 175.51 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 8' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' K' ' 4' ' ' LYS . 19.6 mm100 -66.4 -32.41 73.77 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.232 0.827 . . . . 61.05 113.232 -179.713 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' K' K ' 9' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -78.98 -36.86 40.67 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.97 0.414 . . . . 53.52 111.198 176.066 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 10' ' ' LEU . . . . . . . . . . . . . 23.0 mt -56.61 -35.73 68.6 Favored 'General case' 0 CA--C 1.511 -0.555 0 N-CA-C 108.221 -1.029 . . . . 35.68 108.221 172.06 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 11' ' ' LYS . . . . . . . . . . . . . 19.2 tptt -66.45 -44.74 81.96 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.844 -1.071 . . . . 54.51 109.305 -178.301 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 12' ' ' ALA . . . . . 0.594 ' HA ' ' HE3' ' K' ' 15' ' ' LYS . . . -62.64 -39.87 95.23 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-O 121.243 0.544 . . . . 35.06 110.977 175.579 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' K' K ' 13' ' ' ILE . . . . . . . . . . . . . 70.3 mt -61.81 -50.7 79.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.28 -0.418 . . . . 33.28 112.029 178.389 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.45 -38.68 44.84 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.544 0.942 . . . . 40.39 113.544 176.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 15' ' ' LYS . . . . . 0.594 ' HE3' ' HA ' ' K' ' 12' ' ' ALA . 0.9 OUTLIER -71.4 -52.24 19.66 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 111.918 0.34 . . . . 56.2 111.918 -177.105 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' K' K ' 16' ' ' GLU . . . . . 0.568 ' N ' ' HG2' ' K' ' 15' ' ' LYS . 72.4 mm-40 -51.36 -42.84 61.61 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-O 121.144 0.497 . . . . 45.57 112.155 173.711 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.24 -34.56 78.39 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.945 -0.571 . . . . 43.43 112.019 175.177 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' K' K ' 18' ' ' LYS . . . . . . . . . . . . . 28.3 tttp -63.42 -47.6 81.24 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.469 -0.938 . . . . 59.86 108.469 176.425 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.93 -34.71 72.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.665 -0.698 . . . . 39.13 111.991 178.146 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 20' ' ' ILE . . . . . . . . . . . . . 55.1 mt -74.43 -40.22 48.92 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 CA-C-N 116.335 -0.393 . . . . 40.85 110.325 179.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 21' ' ' ALA . . . . . 0.402 ' O ' ' HG3' ' K' ' 25' ' ' LYS . . . -62.79 -33.0 74.28 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.838 -0.619 . . . . 37.32 110.252 179.171 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' K' K ' 22' ' ' TRP . . . . . . . . . . . . . 35.7 t-105 -81.69 -19.31 41.85 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.256 1.206 . . . . 53.5 114.256 -177.901 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 23' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -79.05 -27.54 43.13 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.944 -0.391 . . . . 69.37 109.944 172.722 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 24' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -74.61 -34.8 62.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 70.0 111.024 175.245 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 25' ' ' LYS . . . . . 0.414 ' O ' ' HG2' ' K' ' 29' ' ' GLN . 67.1 mttm -66.39 -34.7 78.55 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.069 -0.715 . . . . 63.97 109.069 175.505 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' K' K ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.3 -52.83 19.89 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.717 -0.674 . . . . 56.16 111.37 177.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 27' ' ' ILE . . . . . . . . . . . . . 67.7 mt -52.28 -30.42 13.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-O 120.861 0.363 . . . . 74.75 110.919 178.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.11 6.51 39.61 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.436 0.902 . . . . 63.49 113.436 178.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 29' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' K' ' 25' ' ' LYS . 9.8 mm100 -92.76 -65.62 0.99 Allowed 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 114.222 1.193 . . . . 57.84 114.222 179.838 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' K' K ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.435 0 C-N-CA 123.805 0.717 . . . . 57.3 112.4 1.37 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.267 . . . . . . . . 42.64 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 1' ' ' GLY . . . . . . . . . . . . . . . -106.71 -147.61 14.49 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 123.835 0.731 . . . . 45.33 113.082 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 2' ' ' GLU . . . . . 0.696 ' HA ' ' HE3' ' J' ' 4' ' ' LYS . 45.1 mt-10 -50.6 -32.44 18.82 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 123.753 0.821 . . . . 56.55 111.457 175.971 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' L' L ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.13 -48.69 56.44 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.787 0.662 . . . . 35.23 112.787 179.489 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' L' L ' 4' ' ' LYS . . . . . 0.713 ' HD2' ' O ' ' K' ' 50' ' ' HOH . 7.9 tptt -60.68 -37.03 80.22 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 120.412 -0.515 . . . . 55.07 110.485 176.469 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.67 -44.76 95.44 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.027 0.441 . . . . 29.01 111.618 179.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 6' ' ' ILE . . . . . . . . . . . . . 92.9 mt -51.72 -52.64 20.73 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.404 0 CA-C-N 116.195 -0.457 . . . . 35.21 110.761 171.715 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.41 -34.47 57.87 Favored 'General case' 0 C--O 1.219 -0.52 0 C-N-CA 122.825 0.45 . . . . 34.52 112.201 176.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 8' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -76.62 -39.73 51.54 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.749 -0.205 . . . . 64.91 110.575 -176.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 9' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -63.94 -47.21 81.41 Favored 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 109.694 -0.484 . . . . 39.94 109.694 173.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 10' ' ' LEU . . . . . . . . . . . . . 58.1 mt -52.31 -39.27 60.35 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 112.094 0.405 . . . . 34.44 112.094 175.208 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 11' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -64.99 -35.24 80.55 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.059 -0.518 . . . . 50.72 110.314 177.675 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.79 -40.51 75.98 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.028 -0.533 . . . . 32.97 111.643 178.187 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 13' ' ' ILE . . . . . 0.601 HG23 HD11 ' J' ' 17' ' ' LEU . 61.7 mt -59.51 -47.53 90.51 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-N 115.875 -0.602 . . . . 30.27 111.445 176.296 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.52 -32.87 67.48 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.641 -0.709 . . . . 36.62 111.69 177.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 15' ' ' LYS . . . . . . . . . . . . . 45.3 tttp -77.16 -41.47 41.55 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 116.52 -0.309 . . . . 51.74 111.464 -175.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 16' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -62.9 -42.92 99.95 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-O 120.731 0.3 . . . . 37.59 110.657 174.28 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -46.49 83.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.197 0.522 . . . . 35.78 110.492 176.576 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' L' L ' 18' ' ' LYS . . . . . . . . . . . . . 24.8 tttp -55.04 -38.52 68.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.454 -0.794 . . . . 59.08 111.023 175.774 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 19' ' ' ALA . . . . . 0.452 ' O ' ' HG2' ' L' ' 23' ' ' GLU . . . -65.54 -48.38 72.67 Favored 'General case' 0 C--O 1.225 -0.213 0 N-CA-C 113.474 0.916 . . . . 48.27 113.474 175.486 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' L' L ' 20' ' ' ILE . . . . . . . . . . . . . 32.0 mt -57.52 -36.54 54.06 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 N-CA-C 111.776 0.287 . . . . 40.99 111.776 176.603 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.4 -26.86 61.16 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.439 0.637 . . . . 44.98 109.704 -178.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 22' ' ' TRP . . . . . . . . . . . . . 70.4 t-105 -70.53 -44.81 66.79 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 114.717 -1.129 . . . . 63.63 110.391 -179.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 23' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' L' ' 19' ' ' ALA . 28.7 mm-40 -62.19 -47.85 82.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.565 -0.743 . . . . 71.01 109.861 174.958 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' L' L ' 24' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -57.48 -42.6 82.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.113 -0.494 . . . . 68.51 111.768 178.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 25' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -63.74 -29.59 70.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 73.97 110.406 177.677 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.31 -1.08 54.76 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 116.249 -0.432 . . . . 59.97 110.606 175.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 27' ' ' ILE . . . . . . . . . . . . . 29.2 mt -96.52 -64.23 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.859 -0.336 . . . . 59.09 111.56 174.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.323 -0.399 . . . . 60.21 111.82 -179.496 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 . . . . . . . . 44.93 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 1' ' ' GLY . . . . . 0.54 ' HA3' ' O ' ' I' ' 49' ' ' HOH . . . 103.03 160.96 25.51 Favored Glycine 0 C--N 1.332 0.342 0 O-C-N 123.318 0.386 . . . . 42.07 112.592 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' M' M ' 2' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -83.52 -15.79 48.01 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 115.393 1.627 . . . . 50.82 115.393 -175.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 3' ' ' LEU . . . . . . . . . . . . . 13.5 mt -70.38 -46.54 63.84 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 119.523 -0.871 . . . . 35.13 109.489 170.302 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 4' ' ' LYS . . . . . . . . . . . . . 37.8 tttt -53.28 -38.1 62.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.231 -0.441 . . . . 78.07 110.878 174.587 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.32 -32.58 58.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.733 0.301 . . . . 33.45 110.907 -176.374 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 6' ' ' ILE . . . . . . . . . . . . . 88.4 mt -65.8 -43.86 93.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.978 -0.379 . . . . 32.43 109.978 172.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.97 -31.48 72.74 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 119.657 -0.817 . . . . 31.12 111.615 179.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 8' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -71.2 -41.7 69.93 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.574 0.583 . . . . 53.12 112.574 -179.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 9' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -60.21 -42.73 95.75 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 116.328 -0.396 . . . . 49.72 110.491 172.099 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 10' ' ' LEU . . . . . . . . . . . . . 85.8 mt -63.6 -22.98 67.19 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.091 0.404 . . . . 34.32 112.091 175.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 11' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -80.1 -39.19 30.09 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.249 -0.649 . . . . 67.6 109.249 -179.537 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 12' ' ' ALA . . . . . 0.452 ' HA ' ' HE3' ' M' ' 15' ' ' LYS . . . -61.9 -41.27 97.7 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.141 -0.936 . . . . 35.52 109.833 176.062 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' M' M ' 13' ' ' ILE . . . . . . . . . . . . . 56.8 mt -65.77 -45.44 91.68 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.586 0 CA-C-N 114.687 -1.142 . . . . 31.37 111.348 -179.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.85 -32.46 72.8 Favored 'General case' 0 CA--C 1.51 -0.57 0 C-N-CA 122.686 0.394 . . . . 33.27 111.407 179.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 15' ' ' LYS . . . . . 0.452 ' HE3' ' HA ' ' M' ' 12' ' ' ALA . 12.4 ttpp -63.68 -57.58 9.57 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.202 -0.908 . . . . 45.44 110.423 177.991 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' M' M ' 16' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -52.07 -51.61 56.5 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.183 -0.462 . . . . 46.02 111.096 178.136 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 53.6 mt -56.18 -35.02 66.77 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.515 0.561 . . . . 35.52 112.515 179.437 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 18' ' ' LYS . . . . . 0.544 ' HA ' ' OE1' ' I' ' 16' ' ' GLU . 68.4 tttt -66.92 -33.18 75.03 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.286 -0.635 . . . . 58.32 109.286 179.996 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' M' M ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.14 -41.73 40.67 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.19 -0.459 . . . . 46.24 111.4 -177.352 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 20' ' ' ILE . . . . . . . . . . . . . 95.3 mt -62.85 -37.23 78.65 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 N-CA-C 109.115 -0.698 . . . . 40.25 109.115 175.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.93 -41.05 90.95 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 109.151 -0.685 . . . . 40.13 109.151 177.13 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 22' ' ' TRP . . . . . . . . . . . . . 51.2 m95 -77.38 -28.27 52.79 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 112.996 0.739 . . . . 73.74 112.996 -175.179 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 23' ' ' GLU . . . . . 0.438 ' O ' HG13 ' M' ' 27' ' ' ILE . 77.4 mm-40 -61.03 -51.56 68.68 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.696 -0.402 . . . . 58.92 109.926 169.453 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' M' M ' 24' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -57.54 -32.45 67.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 57.11 111.855 177.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 25' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -73.33 -44.39 59.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.081 0.467 . . . . 67.07 110.998 -178.85 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.34 -47.03 86.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.659 -0.7 . . . . 60.17 110.545 178.767 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 27' ' ' ILE . . . . . 0.438 HG13 ' O ' ' M' ' 23' ' ' GLU . 73.9 mt -56.84 -27.67 26.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-N 115.556 -0.747 . . . . 67.45 112.695 177.516 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' M' M ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.26 0 CA-C-O 121.098 0.475 . . . . 69.78 110.896 174.228 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 34' ' ' ' BR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' K' K ' 34' ' ' ' BR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' HOH . . . . . 0.539 ' O ' ' HA3' ' B' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' HOH . . . . . 0.417 ' O ' ' HE3' ' A' ' 22' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . 0.42 ' O ' ' HD3' ' A' ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 109' ' ' HOH . . . . . 0.718 ' O ' ' HA3' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 51' ' ' HOH . . . . . 0.91 ' O ' ' HA3' ' F' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 52' ' ' HOH . . . . . 0.423 ' O ' ' HA3' ' G' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 78' ' ' HOH . . . . . 0.935 ' O ' ' HA3' ' H' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 118' ' ' HOH . . . . . 0.625 ' O ' ' HA3' ' I' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 49' ' ' HOH . . . . . 0.54 ' O ' ' HA3' ' M' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' J' J ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' J' J ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' J' J ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' J' J ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' J' J ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' J' J ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' J' J ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' J' J ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' J' J ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' J' J ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' J' J ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' J' J ' 149' ' ' HOH . . . . . 0.905 ' O ' ' HB2' ' H' ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' K' K ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' K' K ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' K' K ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' K' K ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' K' K ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' K' K ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' K' K ' 50' ' ' HOH . . . . . 0.713 ' O ' ' HD2' ' L' ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' K' K ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' K' K ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' K' K ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' K' K ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 151' ' ' HOH . . . . . 0.534 ' O ' ' HB3' ' L' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' M' M ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' M' M ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_