data_3r3k_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 3r3k _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 1.236 0.382 . . . . . . . . 30.960000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 100.16 139.41 10.78 Favored Glycine 0 C--N 1.336 0.542 1 O-C-N 113.267 -5.896 . . . . 30.039999999999999 113.676 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLU . . . . . 0.638 ' OE1' ' O ' ' B' ' 0' ' ' ACE . 39.0 mm-40 -57.27 -28.98 63.47 Favored 'General case' 0 C--O 1.194 -1.832 0 N-CA-C 114.692 1.368 . . . . 30.559999999999999 114.692 178.259 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.9 mt -70.51 -35.22 73.08 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 119.252 0.933 . . . . 27.219999999999999 111.253 178.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -68.78 -34.46 75.6 Favored 'General case' 0 C--O 1.187 -2.213 0 C-N-CA 123.952 0.901 . . . . 41.829999999999998 110.6 169.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.36 -38.48 81.48 Favored 'General case' 0 C--N 1.314 -0.944 0 C-N-CA 120.349 -0.54 . . . . 23.539999999999999 109.996 -179.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.8 mt -63.58 -48.64 85.93 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.418 0 CA-C-N 115.639 -0.709 . . . . 22.800000000000001 111.838 178.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.6 -38.91 75.69 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.018 0.377 . . . . 21.989999999999998 112.018 176.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -65.5 -41.17 93.52 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 113.379 0.881 . . . . 37.539999999999999 113.379 178.537 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -65.3 -34.68 78.91 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.119 -0.632 . . . . 29.32 110.284 175.927 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 72.2 mt -65.52 -43.43 90.07 Favored 'General case' 0 C--O 1.218 -0.583 0 O-C-N 123.235 0.334 . . . . 19.050000000000001 110.687 177.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -59.06 -37.19 76.46 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 120.925 0.393 . . . . 41.640000000000001 110.322 175.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.8 -33.4 70.69 Favored 'General case' 0 C--O 1.242 0.705 0 C-N-CA 119.974 -0.69 . . . . 21.670000000000002 110.212 -179.665 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.0 mt -66.33 -40.74 87.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-N 116.015 -0.539 . . . . 19.09 109.873 176.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.86 -40.67 93.81 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 116.43 -0.35 . . . . 19.370000000000001 110.898 176.501 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.02 -43.64 98.42 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 121.143 0.497 . . . . 21.100000000000001 110.632 178.474 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -63.98 -35.97 82.43 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 112.965 0.728 . . . . 25.350000000000001 112.965 178.73 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 99.5 mt -67.23 -33.95 76.44 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.782 0.801 . . . . 17.75 110.927 177.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.32 -48.8 80.28 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.154 -0.93 . . . . 31.710000000000001 109.181 175.665 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.35 -38.37 90.88 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 115.965 -0.561 . . . . 20.109999999999999 112.427 177.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 78.9 mt -63.34 -38.81 83.14 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 CA-C-O 121.307 0.575 . . . . 17.899999999999999 112.105 175.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.87 -39.51 87.53 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 121.8 -0.562 . . . . 19.149999999999999 111.42 178.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -62.08 -39.49 92.63 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.564 0.95 . . . . 30.510000000000002 113.564 179.165 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 73.8 mt -65.84 -37.95 87.59 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-O 121.044 0.449 . . . . 20.129999999999999 110.682 176.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LYS . . . . . 1.073 ' NZ ' 'CL ' ' A' ' 34' ' ' ' CL' . 4.8 ttpt -61.14 -39.72 91.14 Favored 'General case' 0 C--O 1.242 0.71 0 C-N-CA 119.962 -0.695 . . . . 28.920000000000002 109.587 175.759 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.55 -44.02 97.38 Favored 'General case' 0 CA--C 1.552 1.047 0 CA-C-N 116.195 -0.457 . . . . 26.43 111.842 176.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.5 mt -62.78 -41.06 91.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 N-CA-C 112.511 0.56 . . . . 24.09 112.511 175.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.11 -30.13 70.18 Favored 'General case' 0 C--O 1.243 0.749 0 C-N-CA 120.197 -0.601 . . . . 28.629999999999999 110.988 177.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLN . . . . . 0.825 ' O ' ' O ' ' A' ' 30' ' ' GLY . 53.5 mt-30 -75.71 -24.32 56.19 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.997 -0.547 . . . . 33.159999999999997 111.653 174.727 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLY . . . . . 0.825 ' O ' ' O ' ' A' ' 29' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.232 0 CA-C-N 116.639 -0.255 . . . . 42.539999999999999 112.982 176.665 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 0' ' ' ACE . . . . . 0.638 ' O ' ' OE1' ' A' ' 2' ' ' GLU . . . . . . . . 0 C--O 1.24 0.566 . . . . . . . . 33.909999999999997 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . 80.51 -147.01 27.86 Favored Glycine 0 CA--C 1.529 0.924 1 O-C-N 131.796 5.685 . . . . 34.0 113.98 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -73.82 -31.97 63.49 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 115.51 1.67 . . . . 39.149999999999999 115.51 -170.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 30.1 mt -76.82 -28.37 55.52 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.612 -1.255 . . . . 26.5 107.612 -179.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.23 -43.45 70.59 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 114.308 -1.315 . . . . 44.420000000000002 109.936 175.96 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.68 -39.48 88.6 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 116.122 -0.49 . . . . 25.329999999999998 112.039 176.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 6.5 mt -59.8 -47.23 92.17 Favored 'Isoleucine or valine' 0 C--O 1.245 0.847 0 CA-C-O 120.454 0.169 . . . . 25.390000000000001 110.629 174.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.5 -33.75 76.62 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 113.407 0.891 . . . . 24.27 113.407 179.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -72.14 -33.08 67.48 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.171 -0.678 . . . . 40.960000000000001 109.171 -178.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -68.78 -37.55 79.4 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.969 0.729 . . . . 33.93 112.969 173.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 46.1 mt -66.58 -33.79 76.45 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.214 0.53 . . . . 20.879999999999999 110.247 176.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 43.2 tttp -67.63 -40.81 84.61 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 121.095 0.474 . . . . 39.729999999999997 111.021 176.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.61 -38.64 90.96 Favored 'General case' 0 C--O 1.241 0.631 0 C-N-CA 120.572 -0.451 . . . . 22.640000000000001 109.868 175.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 34.2 mt -63.42 -43.26 98.39 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 CA-C-N 116.183 -0.462 . . . . 18.68 111.169 177.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.39 -42.63 92.15 Favored 'General case' 0 C--O 1.243 0.725 0 O-C-N 123.529 0.518 . . . . 19.84 110.595 175.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -58.13 -42.67 86.31 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.502 0.556 . . . . 39.009999999999998 112.502 176.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -64.94 -38.56 91.36 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 120.244 -0.582 . . . . 28.870000000000001 111.691 178.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.8 mt -64.98 -34.5 78.59 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.825 0.676 . . . . 18.940000000000001 112.825 178.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 50.5 mttm -57.15 -45.71 83.36 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.779 0.8 . . . . 31.469999999999999 111.328 171.174 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.19 -37.84 84.35 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 119.205 -0.998 . . . . 19.399999999999999 108.908 -177.209 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 30.0 mt -63.67 -40.94 90.9 Favored 'Isoleucine or valine' 0 C--O 1.254 1.297 0 CA-C-O 121.306 0.574 . . . . 18.75 111.242 178.156 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.25 -37.68 88.2 Favored 'General case' 0 C--O 1.247 0.938 0 CA-C-N 115.93 -0.577 . . . . 20.699999999999999 110.26 176.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -60.73 -40.24 91.64 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 118.84 -1.144 . . . . 30.440000000000001 112.778 176.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 90.6 mt -61.18 -35.42 77.09 Favored 'General case' 0 C--O 1.209 -1.076 0 O-C-N 121.951 -0.468 . . . . 24.609999999999999 111.684 175.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' LYS . . . . . 0.626 ' CD ' ' C1 ' ' B' ' 35' ' ' EDO . 1.2 ttmm -64.34 -41.62 96.69 Favored 'General case' 0 C--O 1.205 -1.256 0 C-N-CA 120.175 -0.61 . . . . 37.869999999999997 109.943 176.488 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.66 -45.95 92.19 Favored 'General case' 0 C--O 1.204 -1.325 0 N-CA-C 112.563 0.579 . . . . 28.48 112.563 176.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 57.6 mt -63.88 -38.82 83.37 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.887 0 C-N-CA 123.157 0.583 . . . . 27.09 111.075 176.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.72 -29.97 70.46 Favored 'General case' 0 C--O 1.2 -1.545 0 N-CA-C 109.992 -0.373 . . . . 30.440000000000001 109.992 177.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' GLN . . . . . 0.961 ' O ' ' O ' ' B' ' 79' ' ' HOH . 31.6 mt-30 -76.06 62.93 1.73 Allowed 'General case' 0 C--O 1.203 -1.384 0 CA-C-O 122.691 1.234 . . . . 41.369999999999997 108.716 -179.287 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' GLY . . . . . 0.779 ' CA ' ' O ' ' B' ' 79' ' ' HOH . . . . . . . . 0 C--O 1.226 -0.381 0 N-CA-C 116.79 1.476 . . . . 49.399999999999999 116.79 -177.526 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.565 . . . . . . . . 42.600000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . 25.98 -145.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 1 C-N-CA 167.338 21.447 . . . . 30.120000000000001 114.927 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' GLU . . . . . 1.0 ' OE1' ' O ' ' C' ' 84' ' ' HOH . 2.1 mt-10 -81.52 -27.11 34.59 Favored 'General case' 0 C--O 1.203 -1.368 0 N-CA-C 116.998 2.222 . . . . 29.170000000000002 116.998 -170.773 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -30.39 68.09 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.128 0.892 . . . . 27.219999999999999 109.319 179.693 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -76.12 -40.17 53.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.621 -0.718 . . . . 44.579999999999998 110.671 177.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.93 -38.93 80.12 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 109.42 -0.585 . . . . 23.550000000000001 109.42 176.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 31.7 mt -63.47 -43.46 98.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.568 -0.287 . . . . 23.18 111.65 179.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.78 -34.25 77.73 Favored 'General case' 0 C--O 1.222 -0.387 0 O-C-N 123.627 0.579 . . . . 20.699999999999999 110.939 179.277 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -65.21 -42.73 93.22 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.263 -0.426 . . . . 36.979999999999997 111.857 179.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -68.25 -33.4 74.3 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.465 0.543 . . . . 28.739999999999998 112.465 176.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' LEU . . . . . . . . . . . . . 74.2 mt -64.81 -40.12 94.71 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 119.954 -0.698 . . . . 20.489999999999998 109.257 175.124 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 6.6 mtpp -53.67 -51.44 63.17 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 116.361 -0.381 . . . . 42.649999999999999 111.13 171.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.01 -30.5 71.48 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 112.61 0.596 . . . . 19.379999999999999 112.61 -178.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 68.6 mt -67.85 -43.75 85.87 Favored 'Isoleucine or valine' 0 C--O 1.246 0.898 0 N-CA-C 112.859 0.689 . . . . 17.48 112.859 172.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.94 -37.02 83.15 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-O 121.648 0.737 . . . . 19.149999999999999 111.313 176.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' LYS . . . . . 0.659 ' NZ ' ' O ' ' C' ' 75' ' ' HOH . 3.8 tttt -64.26 -38.17 90.1 Favored 'General case' 0 C--O 1.198 -1.608 0 N-CA-C 113.074 0.768 . . . . 46.82 113.074 178.165 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -71.0 -35.13 71.96 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-O 121.403 0.62 . . . . 26.02 111.317 177.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -33.77 71.83 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 114.992 -1.003 . . . . 21.879999999999999 110.646 -179.608 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -65.0 -42.01 94.86 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.282 -0.636 . . . . 33.789999999999999 109.282 175.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.91 -30.9 70.35 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 119.956 -0.698 . . . . 19.239999999999998 110.502 177.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 18.1 mt -65.37 -42.58 93.93 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 O-C-N 121.721 -0.612 . . . . 16.969999999999999 110.013 174.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.18 -41.35 96.65 Favored 'General case' 0 C--O 1.241 0.641 0 CA-C-O 121.11 0.481 . . . . 20.300000000000001 110.926 -178.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 22' ' ' PHI . . . . . 0.975 ' I ' ' O ' ' C' ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -60.71 -39.96 90.49 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 118.431 -1.308 . . . . 28.09 111.4 175.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 24' ' ' LEU . . . . . . . . . . . . . 86.7 mt -68.02 -36.35 79.81 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 120.738 0.304 . . . . 23.710000000000001 111.709 179.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -63.9 -44.66 92.31 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 119.763 -0.775 . . . . 32.329999999999998 109.731 175.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.1 -47.48 71.72 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.482 -0.487 . . . . 31.559999999999999 110.468 173.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 27' ' ' ILE . . . . . . . . . . . . . 54.5 mt -63.93 -35.67 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 N-CA-C 112.469 0.544 . . . . 30.199999999999999 112.469 179.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.89 -26.45 64.18 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.273 0.558 . . . . 35.590000000000003 109.871 -179.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -84.77 -24.55 28.71 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.792 0.664 . . . . 43.57 112.792 176.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.253 0 C-N-CA 121.332 -0.461 . . . . 42.090000000000003 112.883 179.406 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ' CL' . . . . . 1.073 'CL ' ' NZ ' ' A' ' 25' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' EDO . . . . . 0.673 ' O1 ' ' O ' ' B' ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 34' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 35' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 36' ' ' EDO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 37' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 38' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' HOH . . . . . 0.673 ' O ' ' O1 ' ' B' ' 35' ' ' EDO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' HOH . . . . . 0.662 ' O ' ' CA ' ' B' ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' HOH . . . . . 0.961 ' O ' ' O ' ' B' ' 29' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' HOH . . . . . 0.626 ' O ' ' NE2' ' B' ' 29' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 43' ' ' HOH . . . . . 0.975 ' O ' ' I ' ' C' ' 22' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 75' ' ' HOH . . . . . 0.659 ' O ' ' NZ ' ' C' ' 15' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 79' ' ' HOH . . . . . 0.721 ' O ' ' OE2' ' C' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 84' ' ' HOH . . . . . 1.0 ' O ' ' OE1' ' C' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.382 . . . . . . . . 30.96 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 100.16 139.41 10.78 Favored Glycine 0 C--N 1.336 0.542 1 O-C-N 113.267 -5.896 . . . . 30.04 113.676 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLU . . . . . 0.638 ' OE1' ' O ' ' B' ' 0' ' ' ACE . 39.0 mm-40 -57.27 -28.98 63.47 Favored 'General case' 0 C--O 1.194 -1.832 0 N-CA-C 114.692 1.368 . . . . 30.56 114.692 178.259 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.9 mt -70.51 -35.22 73.08 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 119.252 0.933 . . . . 27.22 111.253 178.292 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -68.78 -34.46 75.6 Favored 'General case' 0 C--O 1.187 -2.213 0 C-N-CA 123.952 0.901 . . . . 41.83 110.6 169.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.36 -38.48 81.48 Favored 'General case' 0 C--N 1.314 -0.944 0 C-N-CA 120.349 -0.54 . . . . 23.54 109.996 -179.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.8 mt -63.58 -48.64 85.93 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.418 0 CA-C-N 115.639 -0.709 . . . . 22.8 111.838 178.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.6 -38.91 75.69 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.018 0.377 . . . . 21.99 112.018 176.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.9 mm100 -65.5 -41.17 93.52 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 113.379 0.881 . . . . 37.54 113.379 178.537 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -65.3 -34.68 78.91 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.119 -0.632 . . . . 29.32 110.284 175.927 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 72.2 mt -65.52 -43.43 90.07 Favored 'General case' 0 C--O 1.218 -0.583 0 O-C-N 123.235 0.334 . . . . 19.05 110.687 177.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -59.06 -37.19 76.46 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 120.925 0.393 . . . . 41.64 110.322 175.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.8 -33.4 70.69 Favored 'General case' 0 C--O 1.242 0.705 0 C-N-CA 119.974 -0.69 . . . . 21.67 110.212 -179.665 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.0 mt -66.33 -40.74 87.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-N 116.015 -0.539 . . . . 19.09 109.873 176.91 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.86 -40.67 93.81 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 116.43 -0.35 . . . . 19.37 110.898 176.501 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.02 -43.64 98.42 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 121.143 0.497 . . . . 23.44 110.632 178.474 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -63.98 -35.97 82.43 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 112.965 0.728 . . . . 25.35 112.965 178.73 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 99.5 mt -67.23 -33.95 76.44 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.782 0.801 . . . . 17.75 110.927 177.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.32 -48.8 80.28 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.154 -0.93 . . . . 31.71 109.181 175.665 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.35 -38.37 90.88 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 115.965 -0.561 . . . . 20.11 112.427 177.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ILE . . . . . 0.466 HG23 ' CD1' ' B' ' 24' ' ' LEU . 78.9 mt -63.34 -38.81 83.14 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 CA-C-O 121.307 0.575 . . . . 17.9 112.105 175.585 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.87 -39.51 87.53 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 121.8 -0.562 . . . . 19.15 111.42 178.907 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -62.08 -39.49 92.63 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.564 0.95 . . . . 30.51 113.564 179.165 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 73.8 mt -65.84 -37.95 87.59 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-O 121.044 0.449 . . . . 20.13 110.682 176.263 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LYS . . . . . 1.068 ' NZ ' 'CL ' ' A' ' 34' ' ' ' CL' . 4.8 ttpt -61.14 -39.72 91.14 Favored 'General case' 0 C--O 1.242 0.71 0 C-N-CA 119.962 -0.695 . . . . 28.92 109.587 175.759 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.55 -44.02 97.38 Favored 'General case' 0 CA--C 1.552 1.047 0 CA-C-N 116.195 -0.457 . . . . 26.43 111.842 176.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.5 mt -62.78 -41.06 91.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 N-CA-C 112.511 0.56 . . . . 24.09 112.511 175.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.11 -30.13 70.18 Favored 'General case' 0 C--O 1.243 0.749 0 C-N-CA 120.197 -0.601 . . . . 28.63 110.988 177.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLN . . . . . 0.825 ' O ' ' O ' ' A' ' 30' ' ' GLY . 53.5 mt-30 -75.71 -24.32 56.19 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.997 -0.547 . . . . 33.16 111.653 174.727 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLY . . . . . 0.825 ' O ' ' O ' ' A' ' 29' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.232 0 CA-C-N 116.639 -0.255 . . . . 42.54 112.982 176.665 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 0' ' ' ACE . . . . . 0.638 ' O ' ' OE1' ' A' ' 2' ' ' GLU . . . . . . . . 0 C--O 1.24 0.566 . . . . . . . . 33.91 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . 80.51 -147.01 27.86 Favored Glycine 0 CA--C 1.529 0.924 1 O-C-N 131.796 5.685 . . . . 34.0 113.98 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -73.82 -31.97 63.49 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 115.51 1.67 . . . . 39.15 115.51 -170.219 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 30.1 mt -76.82 -28.37 55.52 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.612 -1.255 . . . . 26.5 107.612 -179.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.23 -43.45 70.59 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 114.308 -1.315 . . . . 44.42 109.936 175.96 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.68 -39.48 88.6 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 116.122 -0.49 . . . . 25.33 112.039 176.09 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 6.5 mt -59.8 -47.23 92.17 Favored 'Isoleucine or valine' 0 C--O 1.245 0.847 0 CA-C-O 120.454 0.169 . . . . 25.39 110.629 174.735 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.5 -33.75 76.62 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 113.407 0.891 . . . . 24.27 113.407 179.305 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -72.14 -33.08 67.48 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.171 -0.678 . . . . 40.96 109.171 -178.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -68.78 -37.55 79.4 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.969 0.729 . . . . 33.93 112.969 173.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 46.1 mt -66.58 -33.79 76.45 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.214 0.53 . . . . 20.88 110.247 176.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 43.2 tttp -67.63 -40.81 84.61 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 121.095 0.474 . . . . 39.73 111.021 176.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.61 -38.64 90.96 Favored 'General case' 0 C--O 1.241 0.631 0 C-N-CA 120.572 -0.451 . . . . 22.64 109.868 175.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 34.2 mt -63.42 -43.26 98.39 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 CA-C-N 116.183 -0.462 . . . . 18.68 111.169 177.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.39 -42.63 92.15 Favored 'General case' 0 C--O 1.243 0.725 0 O-C-N 123.529 0.518 . . . . 19.84 110.595 175.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LYS . . . . . 0.424 ' HD2' ' HA ' ' B' ' 15' ' ' LYS . 9.0 mmtm -58.13 -42.67 86.31 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.502 0.556 . . . . 39.01 112.502 176.731 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -64.94 -38.56 91.36 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 120.244 -0.582 . . . . 28.87 111.691 178.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.8 mt -64.98 -34.5 78.59 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.825 0.676 . . . . 18.94 112.825 178.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 50.5 mttm -57.15 -45.71 83.36 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.779 0.8 . . . . 31.47 111.328 171.174 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.19 -37.84 84.35 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 119.205 -0.998 . . . . 19.4 108.908 -177.209 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 30.0 mt -63.67 -40.94 90.9 Favored 'Isoleucine or valine' 0 C--O 1.254 1.297 0 CA-C-O 121.306 0.574 . . . . 18.75 111.242 178.156 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.25 -37.68 88.2 Favored 'General case' 0 C--O 1.247 0.938 0 CA-C-N 115.93 -0.577 . . . . 20.7 110.26 176.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' PHI . . . . . 0.621 ' CE1' ' H22' ' B' ' 35' ' ' EDO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -60.73 -40.24 91.64 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 118.84 -1.144 . . . . 30.44 112.778 176.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' LEU . . . . . 0.466 ' CD1' HG23 ' A' ' 20' ' ' ILE . 90.6 mt -61.18 -35.42 77.09 Favored 'General case' 0 C--O 1.209 -1.076 0 O-C-N 121.951 -0.468 . . . . 24.61 111.684 175.693 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 25' ' ' LYS . . . . . 0.851 ' HD2' ' C1 ' ' B' ' 35' ' ' EDO . 1.2 ttmm -64.34 -41.62 96.69 Favored 'General case' 0 C--O 1.205 -1.256 0 C-N-CA 120.175 -0.61 . . . . 37.87 109.943 176.488 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ALA . . . . . 0.453 ' HB2' ' H21' ' B' ' 35' ' ' EDO . . . -60.66 -45.95 92.19 Favored 'General case' 0 C--O 1.204 -1.325 0 N-CA-C 112.563 0.579 . . . . 28.48 112.563 176.85 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 57.6 mt -63.88 -38.82 83.37 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.887 0 C-N-CA 123.157 0.583 . . . . 27.09 111.075 176.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.72 -29.97 70.46 Favored 'General case' 0 C--O 1.2 -1.545 0 N-CA-C 109.992 -0.373 . . . . 30.44 109.992 177.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' GLN . . . . . 0.961 ' O ' ' O ' ' B' ' 79' ' ' HOH . 31.6 mt-30 -76.06 62.93 1.73 Allowed 'General case' 0 C--O 1.203 -1.384 0 CA-C-O 122.691 1.234 . . . . 41.37 108.716 -179.287 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 30' ' ' GLY . . . . . 1.088 ' HA3' ' O ' ' B' ' 78' ' ' HOH . . . . . . . . 0 C--O 1.226 -0.381 0 N-CA-C 116.79 1.476 . . . . 49.4 116.79 -177.526 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.565 . . . . . . . . 42.6 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . 25.98 -145.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 1 C-N-CA 167.338 21.447 . . . . 30.12 114.927 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 2' ' ' GLU . . . . . 1.0 ' OE1' ' O ' ' C' ' 84' ' ' HOH . 2.1 mt-10 -81.52 -27.11 34.59 Favored 'General case' 0 C--O 1.203 -1.368 0 N-CA-C 116.998 2.222 . . . . 29.17 116.998 -170.773 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -30.39 68.09 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.128 0.892 . . . . 27.22 109.319 179.693 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -76.12 -40.17 53.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.621 -0.718 . . . . 44.58 110.671 177.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.93 -38.93 80.12 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 109.42 -0.585 . . . . 23.55 109.42 176.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 31.7 mt -63.47 -43.46 98.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.568 -0.287 . . . . 23.18 111.65 179.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.78 -34.25 77.73 Favored 'General case' 0 C--O 1.222 -0.387 0 O-C-N 123.627 0.579 . . . . 20.7 110.939 179.277 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -65.21 -42.73 93.22 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.263 -0.426 . . . . 36.98 111.857 179.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -68.25 -33.4 74.3 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.465 0.543 . . . . 28.74 112.465 176.51 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 10' ' ' LEU . . . . . . . . . . . . . 74.2 mt -64.81 -40.12 94.71 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 119.954 -0.698 . . . . 20.49 109.257 175.124 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 6.6 mtpp -53.67 -51.44 63.17 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 116.361 -0.381 . . . . 42.65 111.13 171.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.01 -30.5 71.48 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 112.61 0.596 . . . . 19.38 112.61 -178.542 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 68.6 mt -67.85 -43.75 85.87 Favored 'Isoleucine or valine' 0 C--O 1.246 0.898 0 N-CA-C 112.859 0.689 . . . . 17.48 112.859 172.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.94 -37.02 83.15 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-O 121.648 0.737 . . . . 19.15 111.313 176.705 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 15' ' ' LYS . . . . . 0.659 ' NZ ' ' O ' ' C' ' 75' ' ' HOH . 3.8 tttt -64.26 -38.17 90.1 Favored 'General case' 0 C--O 1.198 -1.608 0 N-CA-C 113.074 0.768 . . . . 46.82 113.074 178.165 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -71.0 -35.13 71.96 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-O 121.403 0.62 . . . . 26.02 111.317 177.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -33.77 71.83 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 114.992 -1.003 . . . . 21.88 110.646 -179.608 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -65.0 -42.01 94.86 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.282 -0.636 . . . . 33.79 109.282 175.916 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.91 -30.9 70.35 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 119.956 -0.698 . . . . 19.24 110.502 177.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 18.1 mt -65.37 -42.58 93.93 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 O-C-N 121.721 -0.612 . . . . 16.97 110.013 174.66 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.18 -41.35 96.65 Favored 'General case' 0 C--O 1.241 0.641 0 CA-C-O 121.11 0.481 . . . . 20.3 110.926 -178.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 22' ' ' PHI . . . . . 0.975 ' I ' ' O ' ' C' ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -60.71 -39.96 90.49 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 118.431 -1.308 . . . . 28.09 111.4 175.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 24' ' ' LEU . . . . . . . . . . . . . 86.7 mt -68.02 -36.35 79.81 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 120.738 0.304 . . . . 23.71 111.709 179.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -63.9 -44.66 92.31 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 119.763 -0.775 . . . . 32.33 109.731 175.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.1 -47.48 71.72 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.482 -0.487 . . . . 31.56 110.468 173.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 27' ' ' ILE . . . . . . . . . . . . . 54.5 mt -63.93 -35.67 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 N-CA-C 112.469 0.544 . . . . 30.2 112.469 179.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.89 -26.45 64.18 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.273 0.558 . . . . 35.59 109.871 -179.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -84.77 -24.55 28.71 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.792 0.664 . . . . 43.57 112.792 176.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.253 0 C-N-CA 121.332 -0.461 . . . . 42.09 112.883 179.406 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ' CL' . . . . . 1.068 'CL ' ' NZ ' ' A' ' 25' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 35' ' ' EDO . . . . . 0.851 ' C1 ' ' HD2' ' B' ' 25' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 34' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 35' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 36' ' ' EDO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 37' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 38' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 78' ' ' HOH . . . . . 1.088 ' O ' ' HA3' ' B' ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' HOH . . . . . 1.076 ' O ' ' HA2' ' B' ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 43' ' ' HOH . . . . . 0.975 ' O ' ' I ' ' C' ' 22' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 75' ' ' HOH . . . . . 0.659 ' O ' ' NZ ' ' C' ' 15' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 79' ' ' HOH . . . . . 0.721 ' O ' ' OE2' ' C' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 84' ' ' HOH . . . . . 1.0 ' O ' ' OE1' ' C' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.382 . . . . . . . . 30.96 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 100.16 139.41 10.78 Favored Glycine 0 C--N 1.336 0.542 1 O-C-N 113.267 -5.896 . . . . 30.04 113.676 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.638 ' OE1' ' O ' ' B' ' 0' ' ' ACE . 39.0 mm-40 -57.27 -28.98 63.47 Favored 'General case' 0 C--O 1.194 -1.832 0 N-CA-C 114.692 1.368 . . . . 30.56 114.692 178.259 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.9 mt -70.51 -35.22 73.08 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 119.252 0.933 . . . . 27.22 111.253 178.292 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -68.78 -34.46 75.6 Favored 'General case' 0 C--O 1.187 -2.213 0 C-N-CA 123.952 0.901 . . . . 41.83 110.6 169.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.36 -38.48 81.48 Favored 'General case' 0 C--N 1.314 -0.944 0 C-N-CA 120.349 -0.54 . . . . 23.54 109.996 -179.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.8 mt -63.58 -48.64 85.93 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.418 0 CA-C-N 115.639 -0.709 . . . . 22.8 111.838 178.025 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.6 -38.91 75.69 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.018 0.377 . . . . 21.99 112.018 176.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -65.5 -41.17 93.52 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 113.379 0.881 . . . . 37.54 113.379 178.537 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -65.3 -34.68 78.91 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.119 -0.632 . . . . 29.32 110.284 175.927 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 72.2 mt -65.52 -43.43 90.07 Favored 'General case' 0 C--O 1.218 -0.583 0 O-C-N 123.235 0.334 . . . . 19.05 110.687 177.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -59.06 -37.19 76.46 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 120.925 0.393 . . . . 41.64 110.322 175.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.8 -33.4 70.69 Favored 'General case' 0 C--O 1.242 0.705 0 C-N-CA 119.974 -0.69 . . . . 21.67 110.212 -179.665 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.0 mt -66.33 -40.74 87.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-N 116.015 -0.539 . . . . 19.09 109.873 176.91 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.86 -40.67 93.81 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 116.43 -0.35 . . . . 19.37 110.898 176.501 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.02 -43.64 98.42 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 121.143 0.497 . . . . 23.44 110.632 178.474 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -63.98 -35.97 82.43 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 112.965 0.728 . . . . 25.35 112.965 178.73 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 99.5 mt -67.23 -33.95 76.44 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.782 0.801 . . . . 17.75 110.927 177.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.32 -48.8 80.28 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.154 -0.93 . . . . 31.71 109.181 175.665 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.35 -38.37 90.88 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 115.965 -0.561 . . . . 20.11 112.427 177.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.466 HG23 ' CD1' ' B' ' 24' ' ' LEU . 78.9 mt -63.34 -38.81 83.14 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 CA-C-O 121.307 0.575 . . . . 17.9 112.105 175.585 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.87 -39.51 87.53 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 121.8 -0.562 . . . . 19.15 111.42 178.907 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -62.08 -39.49 92.63 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.564 0.95 . . . . 30.51 113.564 179.165 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 73.8 mt -65.84 -37.95 87.59 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-O 121.044 0.449 . . . . 20.13 110.682 176.263 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LYS . . . . . 1.068 ' NZ ' 'CL ' ' A' ' 34' ' ' ' CL' . 4.8 ttpt -61.14 -39.72 91.14 Favored 'General case' 0 C--O 1.242 0.71 0 C-N-CA 119.962 -0.695 . . . . 28.92 109.587 175.759 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.55 -44.02 97.38 Favored 'General case' 0 CA--C 1.552 1.047 0 CA-C-N 116.195 -0.457 . . . . 26.43 111.842 176.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.5 mt -62.78 -41.06 91.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 N-CA-C 112.511 0.56 . . . . 24.09 112.511 175.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.11 -30.13 70.18 Favored 'General case' 0 C--O 1.243 0.749 0 C-N-CA 120.197 -0.601 . . . . 28.63 110.988 177.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.825 ' O ' ' O ' ' A' ' 30' ' ' GLY . 53.5 mt-30 -75.71 -24.32 56.19 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.997 -0.547 . . . . 33.16 111.653 174.727 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.825 ' O ' ' O ' ' A' ' 29' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.232 0 CA-C-N 116.639 -0.255 . . . . 42.54 112.982 176.665 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 0' ' ' ACE . . . . . 0.638 ' O ' ' OE1' ' A' ' 2' ' ' GLU . . . . . . . . 0 C--O 1.24 0.566 . . . . . . . . 33.91 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . 80.51 -147.01 27.86 Favored Glycine 0 CA--C 1.529 0.924 1 O-C-N 131.796 5.685 . . . . 34.0 113.98 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -73.82 -31.97 63.49 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 115.51 1.67 . . . . 39.15 115.51 -170.219 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 30.1 mt -76.82 -28.37 55.52 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.612 -1.255 . . . . 26.5 107.612 -179.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.23 -43.45 70.59 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 114.308 -1.315 . . . . 44.42 109.936 175.96 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.68 -39.48 88.6 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 116.122 -0.49 . . . . 25.33 112.039 176.09 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 6.5 mt -59.8 -47.23 92.17 Favored 'Isoleucine or valine' 0 C--O 1.245 0.847 0 CA-C-O 120.454 0.169 . . . . 25.39 110.629 174.735 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.5 -33.75 76.62 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 113.407 0.891 . . . . 24.27 113.407 179.305 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -72.14 -33.08 67.48 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.171 -0.678 . . . . 40.96 109.171 -178.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -68.78 -37.55 79.4 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.969 0.729 . . . . 33.93 112.969 173.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 46.1 mt -66.58 -33.79 76.45 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.214 0.53 . . . . 20.88 110.247 176.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 43.2 tttp -67.63 -40.81 84.61 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 121.095 0.474 . . . . 39.73 111.021 176.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.61 -38.64 90.96 Favored 'General case' 0 C--O 1.241 0.631 0 C-N-CA 120.572 -0.451 . . . . 22.64 109.868 175.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 34.2 mt -63.42 -43.26 98.39 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 CA-C-N 116.183 -0.462 . . . . 18.68 111.169 177.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.39 -42.63 92.15 Favored 'General case' 0 C--O 1.243 0.725 0 O-C-N 123.529 0.518 . . . . 19.84 110.595 175.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.424 ' HD2' ' HA ' ' B' ' 15' ' ' LYS . 9.0 mmtm -58.13 -42.67 86.31 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.502 0.556 . . . . 39.01 112.502 176.731 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -64.94 -38.56 91.36 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 120.244 -0.582 . . . . 28.87 111.691 178.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.8 mt -64.98 -34.5 78.59 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.825 0.676 . . . . 18.94 112.825 178.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 50.5 mttm -57.15 -45.71 83.36 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.779 0.8 . . . . 31.47 111.328 171.174 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.19 -37.84 84.35 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 119.205 -0.998 . . . . 19.4 108.908 -177.209 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 30.0 mt -63.67 -40.94 90.9 Favored 'Isoleucine or valine' 0 C--O 1.254 1.297 0 CA-C-O 121.306 0.574 . . . . 18.75 111.242 178.156 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.25 -37.68 88.2 Favored 'General case' 0 C--O 1.247 0.938 0 CA-C-N 115.93 -0.577 . . . . 20.7 110.26 176.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' PHI . . . . . 0.621 ' CE1' ' H22' ' B' ' 35' ' ' EDO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -60.73 -40.24 91.64 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 118.84 -1.144 . . . . 30.44 112.778 176.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' LEU . . . . . 0.466 ' CD1' HG23 ' A' ' 20' ' ' ILE . 90.6 mt -61.18 -35.42 77.09 Favored 'General case' 0 C--O 1.209 -1.076 0 O-C-N 121.951 -0.468 . . . . 24.61 111.684 175.693 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.851 ' HD2' ' C1 ' ' B' ' 35' ' ' EDO . 1.2 ttmm -64.34 -41.62 96.69 Favored 'General case' 0 C--O 1.205 -1.256 0 C-N-CA 120.175 -0.61 . . . . 37.87 109.943 176.488 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.453 ' HB2' ' H21' ' B' ' 35' ' ' EDO . . . -60.66 -45.95 92.19 Favored 'General case' 0 C--O 1.204 -1.325 0 N-CA-C 112.563 0.579 . . . . 28.48 112.563 176.85 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 57.6 mt -63.88 -38.82 83.37 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.887 0 C-N-CA 123.157 0.583 . . . . 27.09 111.075 176.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.72 -29.97 70.46 Favored 'General case' 0 C--O 1.2 -1.545 0 N-CA-C 109.992 -0.373 . . . . 30.44 109.992 177.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' GLN . . . . . 0.961 ' O ' ' O ' ' B' ' 79' ' ' HOH . 31.6 mt-30 -76.06 62.93 1.73 Allowed 'General case' 0 C--O 1.203 -1.384 0 CA-C-O 122.691 1.234 . . . . 41.37 108.716 -179.287 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' GLY . . . . . 1.088 ' HA3' ' O ' ' B' ' 78' ' ' HOH . . . . . . . . 0 C--O 1.226 -0.381 0 N-CA-C 116.79 1.476 . . . . 49.4 116.79 -177.526 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.565 . . . . . . . . 42.6 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . 25.98 -145.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 1 C-N-CA 167.338 21.447 . . . . 30.12 114.927 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' GLU . . . . . 1.0 ' OE1' ' O ' ' C' ' 84' ' ' HOH . 2.1 mt-10 -81.52 -27.11 34.59 Favored 'General case' 0 C--O 1.203 -1.368 0 N-CA-C 116.998 2.222 . . . . 29.17 116.998 -170.773 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -30.39 68.09 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.128 0.892 . . . . 27.22 109.319 179.693 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -76.12 -40.17 53.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.621 -0.718 . . . . 44.58 110.671 177.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.93 -38.93 80.12 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 109.42 -0.585 . . . . 23.55 109.42 176.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 31.7 mt -63.47 -43.46 98.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.568 -0.287 . . . . 23.18 111.65 179.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.78 -34.25 77.73 Favored 'General case' 0 C--O 1.222 -0.387 0 O-C-N 123.627 0.579 . . . . 20.7 110.939 179.277 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -65.21 -42.73 93.22 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.263 -0.426 . . . . 36.98 111.857 179.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -68.25 -33.4 74.3 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.465 0.543 . . . . 28.74 112.465 176.51 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' LEU . . . . . . . . . . . . . 74.2 mt -64.81 -40.12 94.71 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 119.954 -0.698 . . . . 20.49 109.257 175.124 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 6.6 mtpp -53.67 -51.44 63.17 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 116.361 -0.381 . . . . 42.65 111.13 171.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.01 -30.5 71.48 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 112.61 0.596 . . . . 19.38 112.61 -178.542 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 68.6 mt -67.85 -43.75 85.87 Favored 'Isoleucine or valine' 0 C--O 1.246 0.898 0 N-CA-C 112.859 0.689 . . . . 17.48 112.859 172.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.94 -37.02 83.15 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-O 121.648 0.737 . . . . 19.15 111.313 176.705 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' LYS . . . . . 0.659 ' NZ ' ' O ' ' C' ' 75' ' ' HOH . 3.8 tttt -64.26 -38.17 90.1 Favored 'General case' 0 C--O 1.198 -1.608 0 N-CA-C 113.074 0.768 . . . . 46.82 113.074 178.165 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -71.0 -35.13 71.96 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-O 121.403 0.62 . . . . 26.02 111.317 177.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -33.77 71.83 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 114.992 -1.003 . . . . 21.88 110.646 -179.608 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -65.0 -42.01 94.86 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.282 -0.636 . . . . 33.79 109.282 175.916 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.91 -30.9 70.35 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 119.956 -0.698 . . . . 19.24 110.502 177.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 18.1 mt -65.37 -42.58 93.93 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 O-C-N 121.721 -0.612 . . . . 16.97 110.013 174.66 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.18 -41.35 96.65 Favored 'General case' 0 C--O 1.241 0.641 0 CA-C-O 121.11 0.481 . . . . 20.3 110.926 -178.903 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 22' ' ' PHI . . . . . 0.975 ' I ' ' O ' ' C' ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -60.71 -39.96 90.49 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 118.431 -1.308 . . . . 28.09 111.4 175.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 24' ' ' LEU . . . . . . . . . . . . . 86.7 mt -68.02 -36.35 79.81 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 120.738 0.304 . . . . 23.71 111.709 179.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -63.9 -44.66 92.31 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 119.763 -0.775 . . . . 32.33 109.731 175.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.1 -47.48 71.72 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.482 -0.487 . . . . 31.56 110.468 173.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 27' ' ' ILE . . . . . . . . . . . . . 54.5 mt -63.93 -35.67 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 N-CA-C 112.469 0.544 . . . . 30.2 112.469 179.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.89 -26.45 64.18 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.273 0.558 . . . . 35.59 109.871 -179.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -84.77 -24.55 28.71 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.792 0.664 . . . . 43.57 112.792 176.35 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.253 0 C-N-CA 121.332 -0.461 . . . . 42.09 112.883 179.406 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ' CL' . . . . . 1.068 'CL ' ' NZ ' ' A' ' 25' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' EDO . . . . . 0.851 ' C1 ' ' HD2' ' B' ' 25' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 34' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 35' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 36' ' ' EDO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 37' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 38' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' HOH . . . . . 1.088 ' O ' ' HA3' ' B' ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' HOH . . . . . 1.076 ' O ' ' HA2' ' B' ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 43' ' ' HOH . . . . . 0.975 ' O ' ' I ' ' C' ' 22' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 75' ' ' HOH . . . . . 0.659 ' O ' ' NZ ' ' C' ' 15' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 79' ' ' HOH . . . . . 0.721 ' O ' ' OE2' ' C' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 84' ' ' HOH . . . . . 1.0 ' O ' ' OE1' ' C' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_