data_4neo_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 4neo _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 ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.509 2.48 0 N-CA-C 114.361 1.245 . . . . 137.56999999999999 114.361 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -81.73 -8.19 12.37 Favored 'Trans proline' 0 C--N 1.377 2.039 0 N-CA-C 116.086 1.533 . . . . 120.15000000000001 116.086 177.896 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . . . -51.51 -52.17 49.04 Favored 'General case' 0 N--CA 1.517 2.915 0 CA-C-N 120.846 1.657 . . . . 77.799999999999997 110.952 161.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -53.69 -46.8 66.15 Favored Glycine 0 C--O 1.241 0.557 0 CA-C-N 115.596 -0.729 . . . . 69.900000000000006 113.802 174.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -59.2 -47.35 85.66 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 120.99 -1.3 . . . . 79.439999999999998 111.02 -177.006 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.2 ttp-105 -61.37 -43.16 99.35 Favored 'General case' 0 C--O 1.194 -1.868 0 C-N-CA 119.85 -0.74 . . . . 132.97999999999999 109.845 173.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 92.4 m -60.7 -48.85 79.96 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 121.68 0.752 . . . . 61.640000000000001 109.965 177.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -52.21 -48.25 65.19 Favored 'General case' 0 C--O 1.274 2.367 0 N-CA-C 114.242 1.201 . . . . 79.349999999999994 114.242 175.499 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ARG . . . . . 0.588 ' NE ' ' O ' ' A' ' 227' ' ' HOH . 21.0 ttp85 -66.93 -44.25 81.16 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.743 0.645 . . . . 69.459999999999994 112.743 -177.711 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -62.66 -33.93 76.05 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 118.833 -0.603 . . . . 140.16999999999999 112.285 177.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.75 -42.14 95.38 Favored 'General case' 0 CA--C 1.504 -0.813 0 C-N-CA 120.209 -0.596 . . . . 50.789999999999999 110.601 176.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 66.9 tp -65.04 -43.42 92.42 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 119.193 -1.003 . . . . 47.590000000000003 111.467 176.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLU . . . . . 0.445 ' OE1' ' NH2' ' A' ' 11' ' ' ARG . 37.4 tt0 -57.69 -40.55 79.71 Favored 'General case' 0 N--CA 1.441 -0.875 0 N-CA-C 112.718 0.636 . . . . 65.950000000000003 112.718 -179.541 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ARG . . . . . 0.819 ' NH1' ' O ' ' A' ' 209' ' ' HOH . 0.0 OUTLIER -61.81 -45.41 93.98 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 124.082 0.864 . . . . 71.780000000000001 109.756 175.518 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -67.03 -42.21 85.28 Favored 'General case' 0 C--O 1.22 -0.5 0 N-CA-C 112.69 0.626 . . . . 61.390000000000001 112.69 -177.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 73.8 mt -63.97 -41.6 93.02 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.0 0 C-N-CA 119.438 -0.905 . . . . 44.439999999999998 109.658 178.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.57 -40.87 84.29 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 119.947 -0.701 . . . . 51.490000000000002 110.19 179.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.16 90.06 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 120.552 -0.459 . . . . 56.859999999999999 110.835 -179.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 70.4 mt -61.04 -47.85 91.71 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 N-CA-C 112.303 0.483 . . . . 53.350000000000001 112.303 175.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -56.47 -47.05 80.01 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 121.706 0.765 . . . . 55.469999999999999 112.228 173.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.4 -46.65 85.44 Favored 'General case' 0 CA--C 1.502 -0.885 0 O-C-N 121.479 -0.763 . . . . 64.569999999999993 109.941 -174.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -62.1 -45.18 94.62 Favored 'General case' 0 CA--C 1.488 -1.406 0 O-C-N 123.98 0.8 . . . . 113.51000000000001 109.598 -179.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.9 m -66.61 -38.43 86.95 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 120.324 -0.55 . . . . 66.469999999999999 112.018 -177.106 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 36.6 mt -90.16 5.19 47.99 Favored 'General case' 0 CA--C 1.518 -0.268 0 O-C-N 123.395 0.434 . . . . 77.829999999999998 111.412 -176.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.69 46.39 92.26 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 116.365 1.306 . . . . 86.159999999999997 116.365 -176.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.2 mtp85 -120.69 157.54 29.39 Favored 'General case' 0 CA--C 1.502 -0.875 0 CA-C-N 118.906 1.353 . . . . 97.700000000000003 108.672 177.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -63.07 -36.45 83.63 Favored 'General case' 0 C--O 1.218 -0.584 0 N-CA-C 109.162 -0.681 . . . . 98.099999999999994 109.162 179.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 90.1 p -164.8 167.75 18.52 Favored 'General case' 0 C--O 1.246 0.897 0 CA-C-O 122.164 0.983 . . . . 75.090000000000003 110.333 174.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.8 t -132.3 132.58 60.63 Favored 'Isoleucine or valine' 0 C--O 1.25 1.11 0 CA-C-N 112.852 -1.976 . . . . 65.950000000000003 106.675 -177.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.81 152.66 47.75 Favored Glycine 0 CA--C 1.563 3.073 0 CA-C-N 116.053 -0.522 . . . . 63.479999999999997 113.558 175.52 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -60.15 -24.66 77.68 Favored 'Trans proline' 0 CA--C 1.552 1.388 0 C-N-CA 121.619 1.546 . . . . 63.32 115.783 -177.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -116.17 14.95 16.01 Favored 'General case' 0 CA--C 1.5 -0.961 0 N-CA-C 114.497 1.295 . . . . 58.850000000000001 114.497 -174.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -80.97 133.75 35.57 Favored 'General case' 0 CA--C 1.501 -0.917 0 C-N-CA 120.061 -0.656 . . . . 75.239999999999995 111.351 179.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -72.07 134.81 46.05 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 112.732 0.642 . . . . 78.340000000000003 112.732 -177.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -50.44 -47.01 56.94 Favored 'General case' 0 C--O 1.217 -0.631 0 C-N-CA 125.586 1.554 . . . . 60.460000000000001 111.875 -176.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.77 -35.74 62.56 Favored 'General case' 0 CA--C 1.51 -0.595 0 O-C-N 123.743 0.652 . . . . 78.840000000000003 110.37 -175.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.91 -30.96 69.39 Favored 'General case' 0 C--O 1.222 -0.349 0 O-C-N 123.627 0.579 . . . . 76.170000000000002 110.603 174.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 37.8 mt -77.95 5.31 10.04 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.284 1.216 . . . . 76.120000000000005 114.284 174.213 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.01 17.9 76.0 Favored Glycine 0 CA--C 1.535 1.337 0 CA-C-N 118.319 0.509 . . . . 73.890000000000001 114.359 -173.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.03 133.18 31.28 Favored Glycine 0 CA--C 1.526 0.744 0 C-N-CA 119.417 -1.373 . . . . 63.619999999999997 110.981 -178.463 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 42.0 p30 -120.96 -179.78 4.13 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.985 0.914 . . . . 83.780000000000001 110.243 174.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 91.2 p -58.14 -40.58 81.68 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 123.084 0.554 . . . . 82.150000000000006 112.122 -176.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 28.8 mt -59.48 -44.83 93.77 Favored 'Isoleucine or valine' 0 C--O 1.254 1.299 0 CA-C-N 118.064 0.393 . . . . 83.349999999999994 111.082 176.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -64.78 -41.76 95.59 Favored 'General case' 0 C--O 1.254 1.325 0 CA-C-O 120.904 0.383 . . . . 72.739999999999995 111.706 179.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.44 -44.9 80.9 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 115.156 -0.929 . . . . 49.5 109.772 179.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.6 mt -65.27 -45.07 94.69 Favored 'Isoleucine or valine' 0 C--O 1.248 1.013 0 N-CA-C 109.682 -0.488 . . . . 56.43 109.682 -178.393 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.797 0 O-C-N 123.34 0.4 . . . . 106.93000000000001 110.556 -174.914 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 66.0 mt -55.96 -48.08 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 120.646 -0.422 . . . . 49.649999999999999 111.218 175.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 60.4 m -65.12 -47.29 77.67 Favored 'General case' 0 C--O 1.244 0.773 0 C-N-CA 119.453 -0.899 . . . . 48.32 111.51 -177.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -49.64 -44.15 47.29 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 121.525 -0.734 . . . . 72.689999999999998 112.025 175.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.5 mtp180 -74.01 -35.99 64.45 Favored 'General case' 0 CA--C 1.498 -1.044 0 N-CA-C 113.117 0.784 . . . . 84.890000000000001 113.117 -176.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.1 t -68.45 -38.0 78.64 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 C-N-CA 118.779 -1.168 . . . . 46.460000000000001 108.499 176.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -62.09 -43.74 98.18 Favored 'General case' 0 N--CA 1.433 -1.313 0 O-C-N 121.33 -0.856 . . . . 56.530000000000001 110.777 177.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -61.68 -43.46 98.81 Favored 'General case' 0 C--O 1.202 -1.413 0 N-CA-C 107.284 -1.376 . . . . 91.109999999999999 107.284 176.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.7 tp -54.67 -44.5 73.37 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 115.955 1.835 . . . . 65.359999999999999 115.955 -179.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.5 m -102.55 -0.14 10.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 CA-C-O 122.035 0.921 . . . . 60.57 110.81 -174.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.6 t0 52.85 52.32 14.16 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 115.04 -0.982 . . . . 86.109999999999999 112.656 -179.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -155.79 145.39 21.09 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.294 -1.002 . . . . 59.880000000000003 108.294 -179.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -77.89 141.82 38.85 Favored 'General case' 0 C--O 1.194 -1.859 0 CA-C-O 121.004 0.431 . . . . 88.120000000000005 110.03 178.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 64.1 mt -138.41 138.15 37.94 Favored 'General case' 0 C--N 1.31 -1.109 0 C-N-CA 124.657 1.183 . . . . 53.93 109.423 -176.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.0 t -64.45 146.06 55.11 Favored 'General case' 0 C--O 1.261 1.687 0 CA-C-O 123.088 1.423 . . . . 49.039999999999999 107.323 172.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.3 tp -60.81 -25.31 35.07 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.528 0 CA-C-N 114.306 -1.316 . . . . 62.640000000000001 111.015 169.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 92.1 mtt-85 -56.95 -23.16 43.51 Favored 'General case' 0 C--O 1.21 -0.997 0 N-CA-C 113.189 0.811 . . . . 78.439999999999998 113.189 173.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.9 t -65.86 -47.98 83.63 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.339 0 N-CA-C 107.846 -1.168 . . . . 63.520000000000003 107.846 -177.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 tt -67.83 -47.21 69.64 Favored 'General case' 0 C--N 1.319 -0.73 0 O-C-N 120.988 -1.07 . . . . 60.460000000000001 111.631 173.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 94.8 mt -77.83 -16.16 58.53 Favored 'General case' 0 C--O 1.215 -0.751 0 C-N-CA 119.98 -0.688 . . . . 57.799999999999997 112.424 -165.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -101.29 -17.27 16.64 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 112.511 0.56 . . . . 68.829999999999998 112.511 177.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 80.8 p -97.88 -41.89 7.81 Favored 'General case' 0 C--O 1.201 -1.452 0 C-N-CA 119.785 -0.766 . . . . 55.969999999999999 110.511 176.453 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 69.86 -3.86 1.61 Allowed 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 116.769 2.137 . . . . 107.28 116.769 170.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 45.9 p -123.96 160.31 27.85 Favored 'General case' 0 C--O 1.259 1.583 0 CA-C-N 120.099 1.318 . . . . 51.530000000000001 108.682 171.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 10.7 t -61.77 -46.82 95.71 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.841 0 CA-C-N 115.724 -0.671 . . . . 45.579999999999998 109.532 175.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.82 95.13 Favored 'General case' 0 N--CA 1.503 2.201 0 N-CA-C 113.152 0.797 . . . . 45.920000000000002 113.152 179.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.49 -47.53 88.73 Favored Glycine 0 C--O 1.214 -1.095 0 N-CA-C 109.944 -1.262 . . . . 43.030000000000001 109.944 178.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' MSE . . . . . . . . . . . . . 21.5 ttt -63.29 -43.01 99.09 Favored 'General case' 0 CA--C 1.487 -1.46 0 CA-C-O 120.644 0.259 . . . . 46.549999999999997 110.639 -179.749 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 52.5 m -55.82 -49.38 73.43 Favored 'General case' 0 C--O 1.242 0.659 0 CA-C-O 122.053 0.93 . . . . 47.149999999999999 110.486 178.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -62.94 -42.58 99.86 Favored 'General case' 0 CA--C 1.502 -0.871 0 CA-C-N 115.242 -0.89 . . . . 68.739999999999995 110.68 -178.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.84 -59.46 5.35 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.318 1.047 . . . . 67.75 110.814 -177.266 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 65.1 t -53.21 -48.48 54.65 Favored 'Isoleucine or valine' 0 C--O 1.181 -2.503 0 O-C-N 121.681 -0.637 . . . . 61.890000000000001 109.475 171.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -59.26 -23.5 62.42 Favored 'General case' 0 N--CA 1.516 2.846 0 C-N-CA 124.818 1.247 . . . . 89.180000000000007 113.631 -174.526 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.27 -55.7 7.53 Favored 'General case' 0 CA--C 1.501 -0.913 0 O-C-N 127.623 3.077 . . . . 121.54000000000001 110.635 174.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 44.7 m -47.75 -52.23 19.38 Favored 'General case' 0 CA--C 1.558 1.271 0 CA-C-O 122.987 1.375 . . . . 99.849999999999994 112.882 176.319 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.0 mt -63.23 2.29 0.39 Allowed 'General case' 0 CA--C 1.592 2.579 0 N-CA-C 116.056 1.872 . . . . 114.02 116.056 169.671 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 6.7 m . . . . . 0 N--CA 1.499 1.996 0 CA-C-N 120.961 1.71 . . . . 117.86 111.846 -176.593 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' EDO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' PG0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . 0.819 ' O ' ' NH1' ' A' ' 16' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 227' ' ' HOH . . . . . 0.588 ' O ' ' NE ' ' A' ' 11' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.509 2.48 0 N-CA-C 114.361 1.245 . . . . 137.56999999999999 114.361 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -81.73 -8.19 12.37 Favored 'Trans proline' 0 C--N 1.377 2.039 0 N-CA-C 116.086 1.533 . . . . 120.15000000000001 116.086 177.896 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . . . -51.51 -52.17 49.04 Favored 'General case' 0 N--CA 1.517 2.915 0 CA-C-N 120.846 1.657 . . . . 77.799999999999997 110.952 161.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -53.69 -46.8 66.15 Favored Glycine 0 C--O 1.241 0.557 0 CA-C-N 115.596 -0.729 . . . . 69.900000000000006 113.802 174.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -59.2 -47.35 85.66 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 120.99 -1.3 . . . . 79.439999999999998 111.02 -177.006 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.2 ttp-105 -61.37 -43.16 99.35 Favored 'General case' 0 C--O 1.194 -1.868 0 C-N-CA 119.85 -0.74 . . . . 132.97999999999999 109.845 173.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 92.4 m -60.7 -48.85 79.96 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 121.68 0.752 . . . . 61.640000000000001 109.965 177.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -52.21 -48.25 65.19 Favored 'General case' 0 C--O 1.274 2.367 0 N-CA-C 114.242 1.201 . . . . 79.349999999999994 114.242 175.499 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ARG . . . . . 0.809 ' HD2' ' OD1' ' A' ' 78' ' ' ASP . 21.0 ttp85 -66.93 -44.25 81.16 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.743 0.645 . . . . 69.459999999999994 112.743 -177.711 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -62.66 -33.93 76.05 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 118.833 -0.603 . . . . 140.16999999999999 112.285 177.203 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.75 -42.14 95.38 Favored 'General case' 0 CA--C 1.504 -0.813 0 C-N-CA 120.209 -0.596 . . . . 50.789999999999999 110.601 176.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 66.9 tp -65.04 -43.42 92.42 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 119.193 -1.003 . . . . 47.590000000000003 111.467 176.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -57.69 -40.55 79.71 Favored 'General case' 0 N--CA 1.441 -0.875 0 N-CA-C 112.718 0.636 . . . . 65.950000000000003 112.718 -179.541 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ARG . . . . . 0.819 ' NH1' ' O ' ' A' ' 209' ' ' HOH . 0.0 OUTLIER -61.81 -45.41 93.98 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 124.082 0.864 . . . . 71.780000000000001 109.756 175.518 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -67.03 -42.21 85.28 Favored 'General case' 0 C--O 1.22 -0.5 0 N-CA-C 112.69 0.626 . . . . 61.390000000000001 112.69 -177.947 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 73.8 mt -63.97 -41.6 93.02 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.0 0 C-N-CA 119.438 -0.905 . . . . 44.439999999999998 109.658 178.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.57 -40.87 84.29 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 119.947 -0.701 . . . . 51.490000000000002 110.19 179.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.16 90.06 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 120.552 -0.459 . . . . 56.859999999999999 110.835 -179.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 70.4 mt -61.04 -47.85 91.71 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 N-CA-C 112.303 0.483 . . . . 53.350000000000001 112.303 175.008 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -56.47 -47.05 80.01 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 121.706 0.765 . . . . 55.469999999999999 112.228 173.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.4 -46.65 85.44 Favored 'General case' 0 CA--C 1.502 -0.885 0 O-C-N 121.479 -0.763 . . . . 64.569999999999993 109.941 -174.785 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -62.1 -45.18 94.62 Favored 'General case' 0 CA--C 1.488 -1.406 0 O-C-N 123.98 0.8 . . . . 113.51000000000001 109.598 -179.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.9 m -66.61 -38.43 86.95 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 120.324 -0.55 . . . . 66.469999999999999 112.018 -177.106 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 36.6 mt -90.16 5.19 47.99 Favored 'General case' 0 CA--C 1.518 -0.268 0 O-C-N 123.395 0.434 . . . . 77.829999999999998 111.412 -176.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.69 46.39 92.26 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 116.365 1.306 . . . . 86.159999999999997 116.365 -176.958 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.2 mtp85 -120.69 157.54 29.39 Favored 'General case' 0 CA--C 1.502 -0.875 0 CA-C-N 118.906 1.353 . . . . 97.700000000000003 108.672 177.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -63.07 -36.45 83.63 Favored 'General case' 0 C--O 1.218 -0.584 0 N-CA-C 109.162 -0.681 . . . . 98.099999999999994 109.162 179.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 90.1 p -164.8 167.75 18.52 Favored 'General case' 0 C--O 1.246 0.897 0 CA-C-O 122.164 0.983 . . . . 75.090000000000003 110.333 174.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.8 t -132.3 132.58 60.63 Favored 'Isoleucine or valine' 0 C--O 1.25 1.11 0 CA-C-N 112.852 -1.976 . . . . 65.950000000000003 106.675 -177.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.81 152.66 47.75 Favored Glycine 0 CA--C 1.563 3.073 0 CA-C-N 116.053 -0.522 . . . . 63.479999999999997 113.558 175.52 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -60.15 -24.66 77.68 Favored 'Trans proline' 0 CA--C 1.552 1.388 0 C-N-CA 121.619 1.546 . . . . 63.32 115.783 -177.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -116.17 14.95 16.01 Favored 'General case' 0 CA--C 1.5 -0.961 0 N-CA-C 114.497 1.295 . . . . 58.850000000000001 114.497 -174.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -80.97 133.75 35.57 Favored 'General case' 0 CA--C 1.501 -0.917 0 C-N-CA 120.061 -0.656 . . . . 75.239999999999995 111.351 179.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -72.07 134.81 46.05 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 112.732 0.642 . . . . 78.340000000000003 112.732 -177.514 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -50.44 -47.01 56.94 Favored 'General case' 0 C--O 1.217 -0.631 0 C-N-CA 125.586 1.554 . . . . 60.460000000000001 111.875 -176.123 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.77 -35.74 62.56 Favored 'General case' 0 CA--C 1.51 -0.595 0 O-C-N 123.743 0.652 . . . . 78.840000000000003 110.37 -175.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.91 -30.96 69.39 Favored 'General case' 0 C--O 1.222 -0.349 0 O-C-N 123.627 0.579 . . . . 76.170000000000002 110.603 174.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 37.8 mt -77.95 5.31 10.04 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.284 1.216 . . . . 76.120000000000005 114.284 174.213 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.01 17.9 76.0 Favored Glycine 0 CA--C 1.535 1.337 0 CA-C-N 118.319 0.509 . . . . 73.890000000000001 114.359 -173.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.03 133.18 31.28 Favored Glycine 0 CA--C 1.526 0.744 0 C-N-CA 119.417 -1.373 . . . . 63.619999999999997 110.981 -178.463 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 42.0 p30 -120.96 -179.78 4.13 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.985 0.914 . . . . 83.780000000000001 110.243 174.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 91.2 p -58.14 -40.58 81.68 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 123.084 0.554 . . . . 82.150000000000006 112.122 -176.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 28.8 mt -59.48 -44.83 93.77 Favored 'Isoleucine or valine' 0 C--O 1.254 1.299 0 CA-C-N 118.064 0.393 . . . . 83.349999999999994 111.082 176.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -64.78 -41.76 95.59 Favored 'General case' 0 C--O 1.254 1.325 0 CA-C-O 120.904 0.383 . . . . 72.739999999999995 111.706 179.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.44 -44.9 80.9 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 115.156 -0.929 . . . . 49.5 109.772 179.571 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.6 mt -65.27 -45.07 94.69 Favored 'Isoleucine or valine' 0 C--O 1.248 1.013 0 N-CA-C 109.682 -0.488 . . . . 56.43 109.682 -178.393 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.797 0 O-C-N 123.34 0.4 . . . . 106.93000000000001 110.556 -174.914 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 66.0 mt -55.96 -48.08 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 120.646 -0.422 . . . . 49.649999999999999 111.218 175.302 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 60.4 m -65.12 -47.29 77.67 Favored 'General case' 0 C--O 1.244 0.773 0 C-N-CA 119.453 -0.899 . . . . 48.32 111.51 -177.519 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -49.64 -44.15 47.29 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 121.525 -0.734 . . . . 72.689999999999998 112.025 175.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.5 mtp180 -74.01 -35.99 64.45 Favored 'General case' 0 CA--C 1.498 -1.044 0 N-CA-C 113.117 0.784 . . . . 84.890000000000001 113.117 -176.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.1 t -68.45 -38.0 78.64 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 C-N-CA 118.779 -1.168 . . . . 46.460000000000001 108.499 176.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -62.09 -43.74 98.18 Favored 'General case' 0 N--CA 1.433 -1.313 0 O-C-N 121.33 -0.856 . . . . 56.530000000000001 110.777 177.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -61.68 -43.46 98.81 Favored 'General case' 0 C--O 1.202 -1.413 0 N-CA-C 107.284 -1.376 . . . . 91.109999999999999 107.284 176.116 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.7 tp -54.67 -44.5 73.37 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 115.955 1.835 . . . . 65.359999999999999 115.955 -179.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.5 m -102.55 -0.14 10.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 CA-C-O 122.035 0.921 . . . . 60.57 110.81 -174.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.6 t0 52.85 52.32 14.16 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 115.04 -0.982 . . . . 86.109999999999999 112.656 -179.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -155.79 145.39 21.09 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.294 -1.002 . . . . 59.880000000000003 108.294 -179.413 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -77.89 141.82 38.85 Favored 'General case' 0 C--O 1.194 -1.859 0 CA-C-O 121.004 0.431 . . . . 88.120000000000005 110.03 178.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 64.1 mt -138.41 138.15 37.94 Favored 'General case' 0 C--N 1.31 -1.109 0 C-N-CA 124.657 1.183 . . . . 53.93 109.423 -176.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.0 t -64.45 146.06 55.11 Favored 'General case' 0 C--O 1.261 1.687 0 CA-C-O 123.088 1.423 . . . . 49.039999999999999 107.323 172.334 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.3 tp -60.81 -25.31 35.07 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.528 0 CA-C-N 114.306 -1.316 . . . . 62.640000000000001 111.015 169.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 92.1 mtt-85 -56.95 -23.16 43.51 Favored 'General case' 0 C--O 1.21 -0.997 0 N-CA-C 113.189 0.811 . . . . 78.439999999999998 113.189 173.618 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.9 t -65.86 -47.98 83.63 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.339 0 N-CA-C 107.846 -1.168 . . . . 63.520000000000003 107.846 -177.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 tt -67.83 -47.21 69.64 Favored 'General case' 0 C--N 1.319 -0.73 0 O-C-N 120.988 -1.07 . . . . 60.460000000000001 111.631 173.02 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 94.8 mt -77.83 -16.16 58.53 Favored 'General case' 0 C--O 1.215 -0.751 0 C-N-CA 119.98 -0.688 . . . . 57.799999999999997 112.424 -165.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -101.29 -17.27 16.64 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 112.511 0.56 . . . . 68.829999999999998 112.511 177.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 80.8 p -97.88 -41.89 7.81 Favored 'General case' 0 C--O 1.201 -1.452 0 C-N-CA 119.785 -0.766 . . . . 55.969999999999999 110.511 176.453 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 69.86 -3.86 1.61 Allowed 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 116.769 2.137 . . . . 107.28 116.769 170.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 45.9 p -123.96 160.31 27.85 Favored 'General case' 0 C--O 1.259 1.583 0 CA-C-N 120.099 1.318 . . . . 51.530000000000001 108.682 171.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 10.7 t -61.77 -46.82 95.71 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.841 0 CA-C-N 115.724 -0.671 . . . . 45.579999999999998 109.532 175.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.82 95.13 Favored 'General case' 0 N--CA 1.503 2.201 0 N-CA-C 113.152 0.797 . . . . 45.920000000000002 113.152 179.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.49 -47.53 88.73 Favored Glycine 0 C--O 1.214 -1.095 0 N-CA-C 109.944 -1.262 . . . . 43.030000000000001 109.944 178.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' MSE . . . . . . . . . . . . . 21.5 ttt -63.29 -43.01 99.09 Favored 'General case' 0 CA--C 1.487 -1.46 0 CA-C-O 120.644 0.259 . . . . 46.549999999999997 110.639 -179.749 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 52.5 m -55.82 -49.38 73.43 Favored 'General case' 0 C--O 1.242 0.659 0 CA-C-O 122.053 0.93 . . . . 47.149999999999999 110.486 178.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ASP . . . . . 0.809 ' OD1' ' HD2' ' A' ' 11' ' ' ARG . 40.6 m-20 -62.94 -42.58 99.86 Favored 'General case' 0 CA--C 1.502 -0.871 0 CA-C-N 115.242 -0.89 . . . . 68.739999999999995 110.68 -178.555 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 79' ' ' HIS . . . . . 0.41 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -60.84 -59.46 5.35 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.318 1.047 . . . . 67.75 110.814 -177.266 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 65.1 t -53.21 -48.48 54.65 Favored 'Isoleucine or valine' 0 C--O 1.181 -2.503 0 O-C-N 121.681 -0.637 . . . . 61.890000000000001 109.475 171.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 -59.26 -23.5 62.42 Favored 'General case' 0 N--CA 1.516 2.846 0 C-N-CA 124.818 1.247 . . . . 89.180000000000007 113.631 -174.526 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 79' ' ' HIS . . . -71.27 -55.7 7.53 Favored 'General case' 0 CA--C 1.501 -0.913 0 O-C-N 127.623 3.077 . . . . 121.54000000000001 110.635 174.483 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 44.7 m -47.75 -52.23 19.38 Favored 'General case' 0 CA--C 1.558 1.271 0 CA-C-O 122.987 1.375 . . . . 99.849999999999994 112.882 176.319 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.0 mt -63.23 2.29 0.39 Allowed 'General case' 0 CA--C 1.592 2.579 0 N-CA-C 116.056 1.872 . . . . 114.02 116.056 169.671 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 6.7 m . . . . . 0 N--CA 1.499 1.996 0 CA-C-N 120.961 1.71 . . . . 117.86 111.846 -176.593 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' EDO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' PG0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . 0.819 ' O ' ' NH1' ' A' ' 16' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.509 2.48 0 N-CA-C 114.361 1.245 . . . . 137.56999999999999 114.361 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -81.73 -8.19 12.37 Favored 'Trans proline' 0 C--N 1.377 2.039 0 N-CA-C 116.086 1.533 . . . . 120.15000000000001 116.086 177.896 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . . . -51.51 -52.17 49.04 Favored 'General case' 0 N--CA 1.517 2.915 0 CA-C-N 120.846 1.657 . . . . 77.799999999999997 110.952 161.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -53.69 -46.8 66.15 Favored Glycine 0 C--O 1.241 0.557 0 CA-C-N 115.596 -0.729 . . . . 69.900000000000006 113.802 174.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -59.2 -47.35 85.66 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 120.99 -1.3 . . . . 79.439999999999998 111.02 -177.006 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.2 ttp-105 -61.37 -43.16 99.35 Favored 'General case' 0 C--O 1.194 -1.868 0 C-N-CA 119.85 -0.74 . . . . 132.97999999999999 109.845 173.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 92.4 m -60.7 -48.85 79.96 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 121.68 0.752 . . . . 61.640000000000001 109.965 177.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -52.21 -48.25 65.19 Favored 'General case' 0 C--O 1.274 2.367 0 N-CA-C 114.242 1.201 . . . . 79.349999999999994 114.242 175.499 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.809 ' HD2' ' OD1' ' A' ' 78' ' ' ASP . 21.0 ttp85 -66.93 -44.25 81.16 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.743 0.645 . . . . 69.459999999999994 112.743 -177.711 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -62.66 -33.93 76.05 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 118.833 -0.603 . . . . 140.16999999999999 112.285 177.203 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.75 -42.14 95.38 Favored 'General case' 0 CA--C 1.504 -0.813 0 C-N-CA 120.209 -0.596 . . . . 50.789999999999999 110.601 176.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 66.9 tp -65.04 -43.42 92.42 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 119.193 -1.003 . . . . 47.590000000000003 111.467 176.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -57.69 -40.55 79.71 Favored 'General case' 0 N--CA 1.441 -0.875 0 N-CA-C 112.718 0.636 . . . . 65.950000000000003 112.718 -179.541 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.819 ' NH1' ' O ' ' A' ' 209' ' ' HOH . 0.0 OUTLIER -61.81 -45.41 93.98 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 124.082 0.864 . . . . 71.780000000000001 109.756 175.518 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -67.03 -42.21 85.28 Favored 'General case' 0 C--O 1.22 -0.5 0 N-CA-C 112.69 0.626 . . . . 61.390000000000001 112.69 -177.947 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 73.8 mt -63.97 -41.6 93.02 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.0 0 C-N-CA 119.438 -0.905 . . . . 44.439999999999998 109.658 178.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.57 -40.87 84.29 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 119.947 -0.701 . . . . 51.490000000000002 110.19 179.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.16 90.06 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 120.552 -0.459 . . . . 56.859999999999999 110.835 -179.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 70.4 mt -61.04 -47.85 91.71 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 N-CA-C 112.303 0.483 . . . . 53.350000000000001 112.303 175.008 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -56.47 -47.05 80.01 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 121.706 0.765 . . . . 55.469999999999999 112.228 173.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.4 -46.65 85.44 Favored 'General case' 0 CA--C 1.502 -0.885 0 O-C-N 121.479 -0.763 . . . . 64.569999999999993 109.941 -174.785 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -62.1 -45.18 94.62 Favored 'General case' 0 CA--C 1.488 -1.406 0 O-C-N 123.98 0.8 . . . . 113.51000000000001 109.598 -179.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.9 m -66.61 -38.43 86.95 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 120.324 -0.55 . . . . 66.469999999999999 112.018 -177.106 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 36.6 mt -90.16 5.19 47.99 Favored 'General case' 0 CA--C 1.518 -0.268 0 O-C-N 123.395 0.434 . . . . 77.829999999999998 111.412 -176.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.69 46.39 92.26 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 116.365 1.306 . . . . 86.159999999999997 116.365 -176.958 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.2 mtp85 -120.69 157.54 29.39 Favored 'General case' 0 CA--C 1.502 -0.875 0 CA-C-N 118.906 1.353 . . . . 97.700000000000003 108.672 177.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -63.07 -36.45 83.63 Favored 'General case' 0 C--O 1.218 -0.584 0 N-CA-C 109.162 -0.681 . . . . 98.099999999999994 109.162 179.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 90.1 p -164.8 167.75 18.52 Favored 'General case' 0 C--O 1.246 0.897 0 CA-C-O 122.164 0.983 . . . . 75.090000000000003 110.333 174.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.8 t -132.3 132.58 60.63 Favored 'Isoleucine or valine' 0 C--O 1.25 1.11 0 CA-C-N 112.852 -1.976 . . . . 65.950000000000003 106.675 -177.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.81 152.66 47.75 Favored Glycine 0 CA--C 1.563 3.073 0 CA-C-N 116.053 -0.522 . . . . 63.479999999999997 113.558 175.52 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -60.15 -24.66 77.68 Favored 'Trans proline' 0 CA--C 1.552 1.388 0 C-N-CA 121.619 1.546 . . . . 63.32 115.783 -177.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -116.17 14.95 16.01 Favored 'General case' 0 CA--C 1.5 -0.961 0 N-CA-C 114.497 1.295 . . . . 58.850000000000001 114.497 -174.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -80.97 133.75 35.57 Favored 'General case' 0 CA--C 1.501 -0.917 0 C-N-CA 120.061 -0.656 . . . . 75.239999999999995 111.351 179.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -72.07 134.81 46.05 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 112.732 0.642 . . . . 78.340000000000003 112.732 -177.514 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -50.44 -47.01 56.94 Favored 'General case' 0 C--O 1.217 -0.631 0 C-N-CA 125.586 1.554 . . . . 60.460000000000001 111.875 -176.123 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.77 -35.74 62.56 Favored 'General case' 0 CA--C 1.51 -0.595 0 O-C-N 123.743 0.652 . . . . 78.840000000000003 110.37 -175.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.91 -30.96 69.39 Favored 'General case' 0 C--O 1.222 -0.349 0 O-C-N 123.627 0.579 . . . . 76.170000000000002 110.603 174.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 37.8 mt -77.95 5.31 10.04 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.284 1.216 . . . . 76.120000000000005 114.284 174.213 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.01 17.9 76.0 Favored Glycine 0 CA--C 1.535 1.337 0 CA-C-N 118.319 0.509 . . . . 73.890000000000001 114.359 -173.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.03 133.18 31.28 Favored Glycine 0 CA--C 1.526 0.744 0 C-N-CA 119.417 -1.373 . . . . 63.619999999999997 110.981 -178.463 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 42.0 p30 -120.96 -179.78 4.13 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.985 0.914 . . . . 83.780000000000001 110.243 174.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 91.2 p -58.14 -40.58 81.68 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 123.084 0.554 . . . . 82.150000000000006 112.122 -176.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 28.8 mt -59.48 -44.83 93.77 Favored 'Isoleucine or valine' 0 C--O 1.254 1.299 0 CA-C-N 118.064 0.393 . . . . 83.349999999999994 111.082 176.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -64.78 -41.76 95.59 Favored 'General case' 0 C--O 1.254 1.325 0 CA-C-O 120.904 0.383 . . . . 72.739999999999995 111.706 179.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.44 -44.9 80.9 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 115.156 -0.929 . . . . 49.5 109.772 179.571 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.6 mt -65.27 -45.07 94.69 Favored 'Isoleucine or valine' 0 C--O 1.248 1.013 0 N-CA-C 109.682 -0.488 . . . . 56.43 109.682 -178.393 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.797 0 O-C-N 123.34 0.4 . . . . 106.93000000000001 110.556 -174.914 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 66.0 mt -55.96 -48.08 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 120.646 -0.422 . . . . 49.649999999999999 111.218 175.302 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 60.4 m -65.12 -47.29 77.67 Favored 'General case' 0 C--O 1.244 0.773 0 C-N-CA 119.453 -0.899 . . . . 48.32 111.51 -177.519 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -49.64 -44.15 47.29 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 121.525 -0.734 . . . . 72.689999999999998 112.025 175.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.5 mtp180 -74.01 -35.99 64.45 Favored 'General case' 0 CA--C 1.498 -1.044 0 N-CA-C 113.117 0.784 . . . . 84.890000000000001 113.117 -176.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.1 t -68.45 -38.0 78.64 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 C-N-CA 118.779 -1.168 . . . . 46.460000000000001 108.499 176.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -62.09 -43.74 98.18 Favored 'General case' 0 N--CA 1.433 -1.313 0 O-C-N 121.33 -0.856 . . . . 56.530000000000001 110.777 177.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -61.68 -43.46 98.81 Favored 'General case' 0 C--O 1.202 -1.413 0 N-CA-C 107.284 -1.376 . . . . 91.109999999999999 107.284 176.116 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.7 tp -54.67 -44.5 73.37 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 115.955 1.835 . . . . 65.359999999999999 115.955 -179.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.5 m -102.55 -0.14 10.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 CA-C-O 122.035 0.921 . . . . 60.57 110.81 -174.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.6 t0 52.85 52.32 14.16 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 115.04 -0.982 . . . . 86.109999999999999 112.656 -179.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -155.79 145.39 21.09 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.294 -1.002 . . . . 59.880000000000003 108.294 -179.413 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -77.89 141.82 38.85 Favored 'General case' 0 C--O 1.194 -1.859 0 CA-C-O 121.004 0.431 . . . . 88.120000000000005 110.03 178.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 64.1 mt -138.41 138.15 37.94 Favored 'General case' 0 C--N 1.31 -1.109 0 C-N-CA 124.657 1.183 . . . . 53.93 109.423 -176.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.0 t -64.45 146.06 55.11 Favored 'General case' 0 C--O 1.261 1.687 0 CA-C-O 123.088 1.423 . . . . 49.039999999999999 107.323 172.334 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.3 tp -60.81 -25.31 35.07 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.528 0 CA-C-N 114.306 -1.316 . . . . 62.640000000000001 111.015 169.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 92.1 mtt-85 -56.95 -23.16 43.51 Favored 'General case' 0 C--O 1.21 -0.997 0 N-CA-C 113.189 0.811 . . . . 78.439999999999998 113.189 173.618 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.9 t -65.86 -47.98 83.63 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.339 0 N-CA-C 107.846 -1.168 . . . . 63.520000000000003 107.846 -177.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 tt -67.83 -47.21 69.64 Favored 'General case' 0 C--N 1.319 -0.73 0 O-C-N 120.988 -1.07 . . . . 60.460000000000001 111.631 173.02 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 94.8 mt -77.83 -16.16 58.53 Favored 'General case' 0 C--O 1.215 -0.751 0 C-N-CA 119.98 -0.688 . . . . 57.799999999999997 112.424 -165.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -101.29 -17.27 16.64 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 112.511 0.56 . . . . 68.829999999999998 112.511 177.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 80.8 p -97.88 -41.89 7.81 Favored 'General case' 0 C--O 1.201 -1.452 0 C-N-CA 119.785 -0.766 . . . . 55.969999999999999 110.511 176.453 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 69.86 -3.86 1.61 Allowed 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 116.769 2.137 . . . . 107.28 116.769 170.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 45.9 p -123.96 160.31 27.85 Favored 'General case' 0 C--O 1.259 1.583 0 CA-C-N 120.099 1.318 . . . . 51.530000000000001 108.682 171.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 10.7 t -61.77 -46.82 95.71 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.841 0 CA-C-N 115.724 -0.671 . . . . 45.579999999999998 109.532 175.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.82 95.13 Favored 'General case' 0 N--CA 1.503 2.201 0 N-CA-C 113.152 0.797 . . . . 45.920000000000002 113.152 179.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.49 -47.53 88.73 Favored Glycine 0 C--O 1.214 -1.095 0 N-CA-C 109.944 -1.262 . . . . 43.030000000000001 109.944 178.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' MSE . . . . . . . . . . . . . 21.5 ttt -63.29 -43.01 99.09 Favored 'General case' 0 CA--C 1.487 -1.46 0 CA-C-O 120.644 0.259 . . . . 46.549999999999997 110.639 -179.749 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 52.5 m -55.82 -49.38 73.43 Favored 'General case' 0 C--O 1.242 0.659 0 CA-C-O 122.053 0.93 . . . . 47.149999999999999 110.486 178.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.809 ' OD1' ' HD2' ' A' ' 11' ' ' ARG . 40.6 m-20 -62.94 -42.58 99.86 Favored 'General case' 0 CA--C 1.502 -0.871 0 CA-C-N 115.242 -0.89 . . . . 68.739999999999995 110.68 -178.555 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.41 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -60.84 -59.46 5.35 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.318 1.047 . . . . 67.75 110.814 -177.266 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 65.1 t -53.21 -48.48 54.65 Favored 'Isoleucine or valine' 0 C--O 1.181 -2.503 0 O-C-N 121.681 -0.637 . . . . 61.890000000000001 109.475 171.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -59.26 -23.5 62.42 Favored 'General case' 0 N--CA 1.516 2.846 0 C-N-CA 124.818 1.247 . . . . 89.180000000000007 113.631 -174.526 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 79' ' ' HIS . . . -71.27 -55.7 7.53 Favored 'General case' 0 CA--C 1.501 -0.913 0 O-C-N 127.623 3.077 . . . . 121.54000000000001 110.635 174.483 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 44.7 m -47.75 -52.23 19.38 Favored 'General case' 0 CA--C 1.558 1.271 0 CA-C-O 122.987 1.375 . . . . 99.849999999999994 112.882 176.319 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.0 mt -63.23 2.29 0.39 Allowed 'General case' 0 CA--C 1.592 2.579 0 N-CA-C 116.056 1.872 . . . . 114.02 116.056 169.671 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 6.7 m . . . . . 0 N--CA 1.499 1.996 0 CA-C-N 120.961 1.71 . . . . 117.86 111.846 -176.593 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' EDO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' PG0 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . 0.819 ' O ' ' NH1' ' A' ' 16' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_