data_2aoa_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 2aoa _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 ' 58' ' ' HIS . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.552 4.64 0 N-CA-C 116.863 2.171 . . . . 59.03 116.863 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' PRO . . . . . 1.38 ' CG ' ' CB ' ' A' ' 59' ' ' PRO . 1.0 OUTLIER -37.83 -31.07 0.16 Allowed 'Trans proline' 0 N--CA 1.5 1.901 0 CA-C-O 112.15 -3.354 . . . . 59.05 119.014 167.184 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 6.9 p-90 -75.62 -8.84 57.8 Favored 'General case' 0 C--N 1.364 1.232 0 CA-C-N 123.16 2.709 . . . . 49.38 112.505 170.082 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -88.93 122.71 32.57 Favored 'General case' 0 CA--C 1.594 2.656 0 N-CA-C 116.711 2.115 . . . . 43.06 116.711 -177.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -124.13 21.39 8.88 Favored 'General case' 0 C--N 1.309 -1.173 0 O-C-N 121.023 -1.048 . . . . 52.44 111.395 -166.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 39.04 -115.09 0.44 Allowed Glycine 0 C--O 1.291 3.716 0 N-CA-C 120.393 2.917 . . . . 40.34 120.393 176.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . 0.295 0.7 OUTLIER -88.84 20.08 3.72 Favored 'General case' 0 C--O 1.264 1.866 0 C-N-CA 116.464 -2.094 . . . . 64.17 116.198 -172.621 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ILE . . . . . 0.449 ' CD1' ' CB ' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -56.58 123.32 56.4 Favored Pre-proline 0 C--O 1.175 -2.844 0 N-CA-C 103.282 -2.859 . . . . 57.5 103.282 -176.945 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -58.07 152.62 50.56 Favored 'Trans proline' 0 C--O 1.272 2.188 0 CA-C-O 128.759 3.566 . . . . 49.94 112.452 171.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 21.2 ttt85 -44.93 -42.87 8.51 Favored 'General case' 0 N--CA 1.507 2.405 0 CA-C-N 110.458 -3.064 . . . . 49.59 113.843 176.105 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.15 -42.18 76.3 Favored 'General case' 0 CA--C 1.438 -3.347 0 CA-C-N 114.283 -1.326 . . . . 50.89 112.231 -173.425 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' LYS . . . . . 0.449 ' CB ' ' CD1' ' A' ' 65' ' ' ILE . . . -78.09 -28.42 48.69 Favored 'General case' 0 CA--C 1.45 -2.876 0 O-C-N 124.744 1.277 . . . . 50.13 112.713 179.054 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.07 -43.97 97.7 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 118.503 -1.279 . . . . 49.06 110.317 166.275 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -69.07 -42.85 75.67 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 115.74 1.756 . . . . 55.99 115.74 179.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . . . -39.66 -51.97 2.27 Favored 'General case' 0 C--O 1.281 2.726 0 CA-C-N 113.076 -1.875 . . . . 59.73 112.674 163.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . . . -72.48 -45.26 60.31 Favored 'General case' 0 C--O 1.26 1.645 0 CA-C-O 125.282 2.468 . . . . 59.69 116.317 -173.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 50.4 mt -73.15 -36.56 66.67 Favored 'General case' 0 CA--C 1.492 -1.274 0 O-C-N 120.36 -1.463 . . . . 58.58 109.226 179.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.68 -34.84 53.72 Favored 'General case' 0 CA--C 1.561 1.367 0 N-CA-C 113.659 0.985 . . . . 64.69 113.659 172.769 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . . . -88.36 34.09 0.75 Allowed 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 116.16 -1.876 . . . . 68.74 112.382 178.12 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' GLN . . . . . 0.528 ' O ' ' CE ' ' A' ' 100' ' ' LYS . 0.0 OUTLIER -120.44 148.43 43.81 Favored 'General case' 0 N--CA 1.514 2.73 0 O-C-N 124.696 1.247 . . . . 65.3 109.195 -174.805 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . . . -58.08 -79.68 0.02 OUTLIER 'General case' 0 CA--C 1.593 2.625 0 N-CA-C 115.103 1.52 . . . . 67.25 115.103 177.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . . . -95.83 156.18 16.44 Favored 'General case' 0 C--O 1.288 3.107 0 CA-C-O 123.269 1.509 . . . . 67.27 112.809 -156.81 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -61.05 137.78 58.22 Favored 'General case' 0 N--CA 1.42 -1.974 0 CA-C-N 110.99 -2.823 . . . . 68.59 111.619 175.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 93.86 -3.16 70.4 Favored Glycine 0 CA--C 1.463 -3.192 0 C-N-CA 118.99 -1.576 . . . . 53.56 115.625 -179.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.69 130.03 41.59 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 105.2 -2.148 . . . . 50.49 105.2 167.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -147.66 165.68 29.72 Favored 'General case' 0 CA--C 1.469 -2.161 0 CA-C-O 124.467 2.08 . . . . 41.36 115.591 -174.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.9 pp -149.44 166.3 29.52 Favored 'General case' 0 CA--C 1.595 2.703 0 CA-C-N 112.146 -2.297 . . . . 40.65 108.129 162.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 93.1 mt -113.27 142.17 26.6 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.002 0 N-CA-C 107.036 -1.468 . . . . 40.37 107.036 171.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 28.0 ptt85 -143.07 163.52 32.61 Favored 'General case' 0 CA--C 1.454 -2.74 0 O-C-N 121.036 -1.04 . . . . 39.92 110.305 179.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -62.36 150.15 40.36 Favored 'General case' 0 C--O 1.197 -1.709 0 CA-C-O 122.901 1.334 . . . . 70.76 112.782 171.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.7 t -69.37 149.97 47.82 Favored 'General case' 0 N--CA 1.402 -2.87 0 O-C-N 120.761 -1.212 . . . . 44.63 108.126 -178.218 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' GLU . . . . . 0.464 ' OE2' ' C22' ' A' ' 201' ' ' S1S . 1.9 pt-20 -77.1 -33.69 56.91 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 106.28 -1.748 . . . . 71.1 106.28 -174.947 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' SER . . . . . 0.541 ' OG ' ' O2 ' ' A' ' 201' ' ' S1S . 13.7 p -107.22 -21.57 12.91 Favored 'General case' 0 N--CA 1.432 -1.327 0 CA-C-O 122.08 0.943 . . . . 56.83 113.179 -174.605 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . 0.253 . . -121.29 114.41 31.91 Favored Pre-proline 0 N--CA 1.477 0.893 0 CA-C-O 124.434 2.064 . . . . 58.82 113.269 -164.253 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -61.26 123.47 12.9 Favored 'Trans proline' 0 CA--C 1.486 -1.898 0 CA-C-N 111.417 -2.03 . . . . 59.75 107.929 -173.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 88.93 1.05 80.43 Favored Glycine 0 C--N 1.34 0.782 0 O-C-N 124.305 1.003 . . . . 53.7 114.322 174.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -107.49 163.07 13.37 Favored 'General case' 0 CA--C 1.495 -1.158 0 N-CA-C 107.058 -1.46 . . . . 56.37 107.058 -176.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -127.47 154.01 45.61 Favored 'General case' 0 C--O 1.214 -0.811 0 O-C-N 125.709 1.881 . . . . 43.86 108.215 -174.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 54.8 m -128.7 139.17 52.36 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 126.408 1.883 . . . . 34.7 107.688 177.369 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.1 tp -108.38 131.79 54.4 Favored 'General case' 0 CA--C 1.598 2.821 0 N-CA-C 105.635 -1.987 . . . . 47.53 105.635 174.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 73.3 m -117.33 126.04 52.04 Favored 'General case' 0 N--CA 1.503 2.179 0 N-CA-C 102.749 -3.056 . . . . 37.4 102.749 -174.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 6.3 p -134.38 129.05 52.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 120.515 -1.366 . . . . 41.81 112.671 -175.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' LYS . . . . . 0.528 ' CE ' ' O ' ' A' ' 77' ' ' GLN . 20.8 tttp -76.78 122.26 24.51 Favored 'General case' 0 C--O 1.194 -1.825 0 N-CA-C 105.842 -1.91 . . . . 56.83 105.842 -179.017 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -140.33 106.25 5.18 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 112.882 0.697 . . . . 55.02 112.882 174.379 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 47.87 -105.53 0.12 Allowed Glycine 0 N--CA 1.471 0.973 0 CA-C-O 115.857 -2.635 . . . . 61.07 113.296 -169.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . . . -89.77 -20.06 23.98 Favored 'General case' 0 N--CA 1.53 3.569 0 N-CA-C 121.711 3.967 . . . . 64.63 121.711 -174.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -114.97 -177.55 3.16 Favored 'General case' 0 C--O 1.284 2.916 0 CA-C-O 121.809 0.814 . . . . 78.75 113.077 176.375 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -123.16 124.81 70.9 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.222 0 N-CA-C 102.856 -3.016 . . . . 55.83 102.856 172.222 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -91.14 140.81 29.46 Favored 'General case' 0 C--O 1.277 2.503 0 CA-C-N 114.726 -1.124 . . . . 60.3 110.008 174.021 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -116.81 126.04 52.48 Favored 'General case' 0 C--O 1.203 -1.387 0 CA-C-N 112.07 -2.332 . . . . 51.51 114.787 171.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -111.24 138.9 47.11 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 124.638 1.211 . . . . 45.34 108.516 176.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 42.2 mttm -76.36 128.63 35.23 Favored 'General case' 0 C--O 1.166 -3.339 0 CA-C-O 118.228 -0.891 . . . . 44.78 110.997 165.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 74.8 t -79.73 105.31 9.05 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.87 0 N-CA-C 102.134 -3.284 . . . . 33.47 102.134 -179.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 31.3 mt -72.02 151.28 43.29 Favored 'General case' 0 N--CA 1.518 2.97 0 CA-C-O 123.503 1.62 . . . . 43.15 114.874 178.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . 0.438 21.8 mmm-85 -122.38 150.87 41.83 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.136 -0.938 . . . . 42.82 111.968 171.119 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ASP . . . . . 0.415 ' OD2' ' O ' ' A' ' 401' ' ' S1S . 53.8 p30 -107.74 -172.31 2.04 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-O 123.822 1.772 . . . . 32.48 107.953 172.207 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -63.53 -24.54 67.88 Favored Glycine 0 N--CA 1.434 -1.488 0 N-CA-C 117.517 1.767 . . . . 36.29 117.517 177.304 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -92.92 5.78 50.14 Favored 'General case' 0 CA--C 1.44 -3.27 0 O-C-N 120.917 -1.343 . . . . 37.03 110.984 174.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 86.13 10.95 73.83 Favored Glycine 1 N--CA 1.517 4.058 0 C-N-CA 118.368 -1.872 . . . . 35.2 111.341 171.664 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' LYS . . . . . 1.192 ' NZ ' ' CB ' ' B' ' 124' ' ' LYS . 0.7 OUTLIER -80.91 162.91 23.72 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 118.656 -2.673 . . . . 56.87 111.931 177.018 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -111.12 145.31 38.82 Favored 'General case' 0 C--O 1.278 2.577 0 N-CA-C 113.523 0.934 . . . . 39.32 113.523 179.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -162.77 161.96 26.44 Favored 'General case' 0 N--CA 1.402 -2.835 0 CA-C-N 114.952 -1.022 . . . . 37.1 112.153 177.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 23.8 mt -96.27 -37.6 10.45 Favored 'General case' 0 CA--C 1.447 -2.996 0 N-CA-C 115.281 1.585 . . . . 39.97 115.281 170.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 11.0 p-90 -154.32 159.2 41.09 Favored 'General case' 1 C--O 1.139 -4.726 0 C-N-CA 117.608 -1.637 . . . . 59.94 112.389 174.628 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 88.4 t -83.49 116.34 27.36 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.716 0 C-N-CA 118.583 -1.247 . . . . 44.41 109.259 -178.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' VAL . . . . . 0.619 ' CG1' ' CG2' ' B' ' 123' ' ' VAL . 0.6 OUTLIER -88.56 101.65 12.02 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.363 0 C-N-CA 118.023 -1.471 . . . . 47.74 112.609 -176.865 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' LYS . . . . . 0.464 ' NZ ' ' OD2' ' B' ' 113' ' ' ASP . 24.9 mttt -149.45 155.0 39.71 Favored 'General case' 0 CA--C 1.478 -1.807 0 C-N-CA 127.07 2.148 . . . . 49.69 109.401 -176.161 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -132.01 149.73 52.34 Favored 'General case' 0 C--O 1.272 2.267 0 C-N-CA 115.383 -2.527 . . . . 40.72 108.096 -171.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -75.56 -16.03 60.3 Favored 'General case' 0 CA--C 1.565 1.534 0 N-CA-C 116.313 1.968 . . . . 61.25 116.313 173.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . 0.268 1.3 m -147.44 165.02 31.5 Favored 'General case' 1 CA--C 1.409 -4.479 0 CA-C-O 117.142 -1.409 . . . . 54.88 111.603 179.128 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -53.87 52.88 Favored 'General case' 0 CA--C 1.589 2.469 0 N-CA-C 117.898 2.555 . . . . 50.05 117.898 163.976 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . . . -35.39 -61.17 0.46 Allowed 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 127.117 2.167 . . . . 43.05 114.632 159.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -57.62 -36.34 71.66 Favored 'General case' 0 CA--C 1.498 -1.027 0 C-N-CA 112.957 -3.497 . . . . 56.75 114.226 174.162 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 6.1 tt -65.46 -45.35 84.08 Favored 'General case' 0 CA--C 1.581 2.158 0 O-C-N 118.463 -2.648 . . . . 41.16 112.377 -178.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 45.3 t -55.43 -35.2 36.57 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.723 0 N-CA-C 115.214 1.561 . . . . 45.15 115.214 172.174 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -81.88 -33.16 30.68 Favored 'General case' 0 C--O 1.29 3.209 0 CA-C-N 120.3 1.409 . . . . 56.7 107.685 -172.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -61.74 -45.5 93.65 Favored 'General case' 0 C--O 1.305 3.989 0 CA-C-O 116.463 -1.732 . . . . 45.2 110.625 173.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 -91.5 11.94 22.4 Favored 'General case' 0 CA--C 1.607 3.146 0 C-N-CA 118.598 -1.241 . . . . 37.35 110.686 -168.965 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' ARG . . . . . 0.565 ' NH2' ' O ' ' A' ' 429' ' ' HOH . 58.1 mtt180 -74.84 -18.07 60.5 Favored 'General case' 0 N--CA 1.519 3.023 0 C-N-CA 119.268 -0.973 . . . . 62.86 113.459 166.043 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.34 -12.8 6.19 Favored 'General case' 0 C--O 1.302 3.851 0 C-N-CA 125.304 1.442 . . . . 55.96 113.585 178.538 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' THR . . . . . 0.752 ' OG1' ' O ' ' A' ' 431' ' ' HOH . 4.1 m -112.67 136.26 52.46 Favored 'General case' 0 C--N 1.371 1.541 0 O-C-N 125.834 1.959 . . . . 54.76 110.128 172.489 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 8.5 t -57.36 137.7 55.79 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 125.047 1.467 . . . . 37.27 114.899 178.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -80.02 -22.6 11.77 Favored 'Isoleucine or valine' 0 C--O 1.283 2.855 0 N-CA-C 108.325 -0.991 . . . . 39.38 108.325 176.29 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.1 t -98.82 145.39 27.01 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 118.111 -0.947 . . . . 40.75 111.416 -174.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 2.2 ptp85 -84.73 -14.52 48.1 Favored 'General case' 0 CA--C 1.565 1.557 0 N-CA-C 115.844 1.794 . . . . 42.55 115.844 178.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -132.3 2.86 3.92 Favored 'General case' 0 CA--C 1.612 3.356 0 O-C-N 119.642 -1.911 . . . . 48.43 108.063 -172.008 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.6 150.66 39.14 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 103.705 -2.702 . . . . 60.97 103.705 -170.794 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 71.8 mm-40 -92.16 116.13 28.68 Favored 'General case' 0 N--CA 1.499 2.005 0 CA-C-O 117.419 -1.277 . . . . 74.22 107.618 175.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 62.3 mt -144.37 126.21 10.04 Favored 'Isoleucine or valine' 1 C--O 1.312 4.352 0 CA-C-N 121.096 1.771 . . . . 52.23 111.202 178.781 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' PHE . . . . . 0.525 ' O ' ' CB ' ' A' ' 148' ' ' LEU 0.3 . . -102.56 -67.97 0.85 Allowed 'General case' 2 N--CA 1.555 4.811 1 N-CA-C 135.711 9.152 . . . . 47.43 135.711 163.089 . . . . . . . . 5 3 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' LEU . . . . . 0.92 ' O ' ' O ' ' A' ' 446' ' ' HOH . . . 173.75 169.4 0.19 Allowed 'General case' 1 N--CA 1.57 5.563 2 O-C-N 111.091 -7.256 . . . . 50.1 123.701 -151.241 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' ARG . . . . . 0.528 ' CB ' ' CD2' ' B' ' 83' ' ' PHE . . . -154.01 169.0 24.56 Favored 'General case' 1 CA--C 1.657 5.088 1 N-CA-C 135.612 9.115 . . . . 60.72 135.612 -124.065 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . . . . . . . . 1 C--O 1.314 4.492 1 C-N-CA 132.699 4.4 . . . . 57.0 109.517 151.285 . . . . . . . . 2 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.429 -3.704 1 N-CA-C 95.805 -5.628 . . . . 69.98 95.805 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' LYS . . . . . 0.679 ' O ' ' N ' ' B' ' 72' ' ' GLU 0.296 . . -72.8 -56.36 5.34 Favored 'General case' 0 N--CA 1.414 -2.266 1 N-CA-C 99.566 -4.235 . . . . 70.37 99.566 -169.484 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' B' ' 69' ' ' LYS . . . -49.29 -36.87 22.07 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 118.356 -1.338 . . . . 66.92 107.471 -169.001 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -64.94 -22.89 67.07 Favored 'General case' 0 C--O 1.293 3.393 0 N-CA-C 118.305 2.706 . . . . 80.42 118.305 172.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' GLU . . . . . 0.679 ' N ' ' O ' ' B' ' 69' ' ' LYS . . . -98.51 -25.18 14.85 Favored 'General case' 0 CA--C 1.558 1.259 0 N-CA-C 105.149 -2.167 . . . . 71.65 105.149 173.828 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' MET . . . . . 0.666 ' N ' ' O ' ' B' ' 69' ' ' LYS . . . -75.29 -14.37 60.5 Favored 'General case' 0 C--O 1.3 3.761 0 O-C-N 120.375 -1.453 . . . . 70.91 108.739 179.364 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 23.8 mt -111.78 -22.48 11.12 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 115.791 1.774 . . . . 66.75 115.791 -177.492 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 34.2 m -29.99 -44.51 0.05 OUTLIER 'General case' 0 C--O 1.181 -2.536 0 N-CA-C 119.881 3.289 . . . . 64.77 119.881 151.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' LYS . . . . . 0.719 ' O ' ' O ' ' B' ' 525' ' ' HOH . . . -96.79 6.66 48.24 Favored 'General case' 0 C--O 1.282 2.784 0 CA-C-N 121.602 2.001 . . . . 65.29 110.97 -164.982 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' GLN . . . . . 0.979 ' O ' ' O ' ' B' ' 529' ' ' HOH . 87.8 mm-40 -86.82 146.71 26.12 Favored 'General case' 0 CA--C 1.574 1.903 0 C-N-CA 118.893 -1.123 . . . . 60.87 110.876 172.696 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . . . -91.65 -39.93 11.58 Favored 'General case' 0 N--CA 1.415 -2.184 0 CA-C-N 115.508 -0.769 . . . . 52.51 110.398 -178.284 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 39.3 m170 -78.96 121.15 24.54 Favored 'General case' 0 C--O 1.25 1.121 0 CA-C-O 122.042 0.925 . . . . 59.62 110.959 -174.071 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -52.97 134.99 37.52 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 118.529 -1.268 . . . . 57.39 109.491 160.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 101.42 -18.82 52.97 Favored Glycine 0 C--O 1.226 -0.356 0 CA-C-O 117.06 -1.967 . . . . 43.97 112.28 -177.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -48.84 137.62 12.31 Favored 'General case' 0 N--CA 1.508 2.457 0 N-CA-C 103.594 -2.743 . . . . 40.88 103.594 -179.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' PHE . . . . . 0.528 ' CD2' ' CB ' ' A' ' 149' ' ' ARG . 10.8 p90 -148.61 167.86 24.32 Favored 'General case' 0 C--N 1.302 -1.488 0 C-N-CA 118.688 -1.205 . . . . 43.42 111.878 -175.499 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . 0.27 3.5 pp -143.5 163.09 34.12 Favored 'General case' 0 C--O 1.167 -3.24 0 C-N-CA 125.059 1.344 . . . . 51.28 112.361 163.571 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 10.4 mt -120.96 142.92 34.94 Favored 'Isoleucine or valine' 0 N--CA 1.385 -3.687 0 N-CA-C 106.269 -1.752 . . . . 48.78 106.269 172.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . 0.26 39.9 ptt85 -148.62 -168.5 3.11 Favored 'General case' 0 N--CA 1.425 -1.699 0 C-N-CA 127.081 2.152 . . . . 58.49 112.384 -172.343 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' GLU . . . . . 0.667 ' OE1' ' N ' ' B' ' 87' ' ' GLU . 2.1 mp0 . . . . . 0 N--CA 1.517 2.883 0 N-CA-C 121.246 3.795 . . . . 64.22 121.246 154.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.562 2.974 0 N-CA-C 119.263 2.465 . . . . 61.0 119.263 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' ASP . . . . . 0.593 ' OD2' ' NZ ' ' B' ' 109' ' ' LYS . 25.1 t70 -109.84 127.79 54.91 Favored 'General case' 0 C--O 1.184 -2.383 0 N-CA-C 106.615 -1.624 . . . . 67.64 106.615 -166.091 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -115.76 152.34 33.46 Favored 'General case' 0 N--CA 1.521 3.098 0 CA-C-N 120.378 1.444 . . . . 56.28 112.493 -169.566 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.57 134.04 35.14 Favored 'General case' 0 N--CA 1.398 -3.072 0 N-CA-C 102.832 -3.025 . . . . 44.43 102.832 -172.61 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 11.4 tp -103.59 135.04 45.91 Favored 'General case' 0 C--O 1.171 -3.037 0 N-CA-C 106.763 -1.569 . . . . 42.06 106.763 176.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -125.35 134.98 52.0 Favored 'General case' 0 C--O 1.218 -0.603 0 C-N-CA 124.137 0.975 . . . . 36.47 110.927 177.629 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 2.7 t -136.93 122.72 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.254 0 O-C-N 127.264 2.853 . . . . 41.48 113.693 -161.144 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . . . -72.47 134.21 45.21 Favored 'General case' 0 C--O 1.265 1.906 0 CA-C-O 125.333 2.492 . . . . 45.2 110.068 173.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -143.86 130.96 20.62 Favored 'General case' 0 N--CA 1.391 -3.414 0 CA-C-N 111.673 -2.512 . . . . 55.98 109.979 172.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 36.33 -129.42 0.96 Allowed Glycine 0 N--CA 1.493 2.446 0 CA-C-O 123.155 1.42 . . . . 56.83 111.791 -169.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -79.67 -34.16 40.56 Favored 'General case' 1 C--O 1.324 5.0 0 O-C-N 118.774 -2.603 . . . . 69.95 115.023 174.287 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . . . -57.73 155.63 9.83 Favored 'General case' 0 C--O 1.296 3.539 0 CA-C-N 112.767 -2.015 . . . . 59.78 116.015 172.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 99.0 t -117.78 122.57 70.08 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.216 0 O-C-N 127.265 2.853 . . . . 53.39 111.635 160.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -93.13 142.36 27.39 Favored 'General case' 0 CA--C 1.454 -2.742 0 C-N-CA 127.871 2.468 . . . . 45.61 111.203 179.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -127.02 126.27 42.85 Favored 'General case' 0 N--CA 1.506 2.362 0 O-C-N 119.73 -1.856 . . . . 48.46 108.246 -177.027 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -114.56 136.91 52.52 Favored 'General case' 0 C--O 1.168 -3.219 0 N-CA-C 105.346 -2.094 . . . . 38.09 105.346 -178.13 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' LYS . . . . . 0.662 ' CE ' ' O3 ' ' B' ' 301' ' ' S1S . 0.0 OUTLIER -83.81 132.58 34.81 Favored 'General case' 0 C--O 1.169 -3.179 0 O-C-N 118.838 -2.414 . . . . 55.13 114.576 166.154 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 93.4 t -83.4 107.76 15.31 Favored 'Isoleucine or valine' 0 C--O 1.162 -3.529 0 N-CA-C 105.132 -2.173 . . . . 36.13 105.132 176.218 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 25.8 mt -78.82 151.24 32.02 Favored 'General case' 0 C--N 1.281 -2.373 0 CA-C-O 124.88 2.276 . . . . 43.53 110.594 -179.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . . . -129.67 133.12 46.92 Favored 'General case' 1 N--CA 1.356 -5.175 0 O-C-N 120.272 -1.518 . . . . 39.86 110.747 174.596 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' ASP . . . . . 0.464 ' OD2' ' NZ ' ' A' ' 124' ' ' LYS . 34.1 p30 -90.66 -172.52 3.42 Favored 'General case' 0 CA--C 1.556 1.18 0 O-C-N 119.738 -1.851 . . . . 37.13 111.02 -178.187 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.75 -9.79 86.41 Favored Glycine 0 N--CA 1.502 3.053 0 CA-C-N 120.135 1.334 . . . . 36.93 114.083 -175.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -91.54 0.38 57.51 Favored 'General case' 0 C--O 1.168 -3.226 0 N-CA-C 120.267 3.432 . . . . 37.85 120.267 162.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . 83.09 8.36 85.7 Favored Glycine 1 C--O 1.167 -4.048 0 C-N-CA 124.355 0.979 . . . . 38.86 112.052 173.069 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' LYS . . . . . 0.491 ' NZ ' ' O ' ' B' ' 532' ' ' HOH . 0.5 OUTLIER -69.33 146.36 52.25 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 116.59 2.07 . . . . 58.88 116.59 167.034 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -104.09 148.55 26.12 Favored 'General case' 1 N--CA 1.366 -4.654 0 CA-C-O 117.384 -1.293 . . . . 48.08 112.38 -179.141 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -157.77 161.59 38.45 Favored 'General case' 0 CA--C 1.487 -1.448 0 O-C-N 124.723 1.264 . . . . 36.0 111.674 176.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 36.7 mt -111.1 -33.59 6.43 Favored 'General case' 0 C--O 1.196 -1.716 0 N-CA-C 107.753 -1.203 . . . . 36.28 107.753 173.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -132.92 161.61 33.81 Favored 'General case' 0 C--O 1.16 -3.614 0 N-CA-C 105.993 -1.854 . . . . 31.89 105.993 -170.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 89.8 t -103.24 96.12 4.37 Favored 'Isoleucine or valine' 0 C--O 1.3 3.75 0 CA-C-N 112.023 -2.353 . . . . 29.66 106.4 168.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' VAL . . . . . 0.619 ' CG2' ' CG1' ' A' ' 123' ' ' VAL . 51.6 t -89.38 84.59 2.34 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.042 0 N-CA-C 104.377 -2.453 . . . . 35.08 104.377 -165.286 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' LYS . . . . . 1.192 ' CB ' ' NZ ' ' A' ' 117' ' ' LYS . 53.1 mttt -150.5 157.17 42.71 Favored 'General case' 0 CA--C 1.434 -3.519 0 N-CA-C 107.134 -1.432 . . . . 37.14 107.134 176.716 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -131.93 153.35 50.37 Favored 'General case' 0 CA--C 1.443 -3.153 0 N-CA-C 116.65 2.092 . . . . 38.56 116.65 -167.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -74.91 -17.71 60.53 Favored 'General case' 0 CA--C 1.497 -1.064 0 N-CA-C 120.243 3.423 . . . . 59.96 120.243 176.171 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 94.6 p -151.87 148.44 27.81 Favored 'General case' 0 C--O 1.27 2.166 0 N-CA-C 106.123 -1.806 . . . . 36.14 106.123 -171.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . 0.259 1.4 tp -55.34 -36.88 66.77 Favored 'General case' 1 N--CA 1.374 -4.255 0 CA-C-N 112.205 -2.271 . . . . 42.16 114.444 173.925 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -52.44 -45.27 65.93 Favored 'General case' 1 C--O 1.118 -5.844 0 N-CA-C 116.3 1.963 . . . . 65.87 116.3 169.89 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -68.14 -46.96 69.39 Favored 'General case' 1 N--CA 1.374 -4.261 0 C-N-CA 128.352 2.661 . . . . 61.44 111.096 176.41 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 6.8 tt -55.09 -44.12 74.6 Favored 'General case' 0 N--CA 1.409 -2.476 0 C-N-CA 116.868 -1.933 . . . . 39.0 107.851 174.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 132' ' ' VAL . . . . . . . . . . . . 0.408 3.2 m -66.62 -45.03 89.5 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.115 0 CA-C-O 116.137 -1.887 . . . . 45.75 109.517 -173.699 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 133' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' B' ' 134' ' ' TYR . 21.9 m-20 -61.6 -39.01 89.67 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 116.395 1.998 . . . . 58.44 116.395 173.75 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 134' ' ' TYR . . . . . 0.445 ' C ' ' O ' ' B' ' 133' ' ' ASP . 81.0 t80 -51.14 -56.86 10.6 Favored 'General case' 0 CA--C 1.442 -3.179 0 O-C-N 119.442 -2.036 . . . . 42.56 107.914 174.072 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -77.37 0.47 22.28 Favored 'General case' 0 CA--C 1.614 3.421 0 O-C-N 122.185 -0.322 . . . . 44.48 110.364 -166.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 136' ' ' ARG . . . . . . . . . . . . . 82.9 mtt-85 -60.39 -24.19 64.93 Favored 'General case' 0 CA--C 1.621 3.696 0 C-N-CA 113.766 -3.173 . . . . 55.14 111.734 165.419 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 137' ' ' SER . . . . . . . . . . . . 0.25 1.9 m -127.94 1.52 5.96 Favored 'General case' 0 CA--C 1.433 -3.524 0 O-C-N 118.062 -2.899 . . . . 52.48 112.775 -170.755 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 138' ' ' THR . . . . . . . . . . . . . 75.3 m -138.23 139.44 39.24 Favored 'General case' 0 CA--C 1.463 -2.38 0 N-CA-C 101.256 -3.609 . . . . 51.07 101.256 -179.492 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 45.5 t -66.11 145.41 55.86 Favored 'General case' 1 N--CA 1.306 -7.64 0 CA-C-O 117.119 -1.42 . . . . 40.08 112.718 -170.168 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 140' ' ' VAL . . . . . . . . . . . . . 15.9 m -83.69 -16.17 11.12 Favored 'Isoleucine or valine' 0 CA--C 1.45 -2.898 0 O-C-N 124.211 0.944 . . . . 39.94 109.634 178.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 16.7 t -111.13 151.26 28.33 Favored 'General case' 0 CA--C 1.581 2.161 0 N-CA-C 120.187 3.403 . . . . 42.53 120.187 179.167 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.77 -43.01 57.09 Favored 'General case' 0 CA--C 1.564 1.494 0 O-C-N 120.206 -1.559 . . . . 68.19 112.764 -176.663 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 143' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 -84.83 -34.65 22.65 Favored 'General case' 0 CA--C 1.486 -1.507 0 N-CA-C 117.733 2.494 . . . . 64.46 117.733 179.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . . . -116.15 165.8 12.74 Favored 'General case' 0 C--O 1.302 3.836 0 N-CA-C 113.631 0.974 . . . . 53.38 113.631 -175.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 145' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -103.12 116.18 32.01 Favored 'General case' 0 CA--C 1.467 -2.229 0 N-CA-C 104.466 -2.42 . . . . 57.72 104.466 177.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 146' ' ' ILE . . . . . . . . . . . . . 11.5 mt -153.68 108.52 0.25 Allowed 'Isoleucine or valine' 1 C--O 1.31 4.257 0 N-CA-C 102.892 -3.003 . . . . 47.19 102.892 -166.917 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 147' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -112.47 142.36 45.12 Favored 'General case' 0 C--O 1.301 3.791 0 O-C-N 127.257 2.848 . . . . 58.96 111.507 -177.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 15.7 mt -68.39 137.18 54.35 Favored 'General case' 0 N--CA 1.399 -2.987 0 N-CA-C 115.977 1.843 . . . . 46.88 115.977 178.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.185 0 CA-C-O 115.16 -2.352 . . . . 54.1 113.328 -173.868 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' S1S . . . . . 0.541 ' O2 ' ' OG ' ' A' ' 90' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 401' ' ' S1S . . . . . 0.721 ' C20' ' NZ ' ' A' ' 117' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 301' ' ' S1S . . . . . 0.662 ' O3 ' ' CE ' ' B' ' 109' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 501' ' ' P33 . . . . . 0.61 ' C14' ' O ' ' B' ' 517' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 402' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 403' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 404' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 405' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 406' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 407' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 408' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 409' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 410' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 411' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 412' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 413' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 414' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 415' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 416' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 417' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 418' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 419' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 420' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 421' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 422' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 423' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 424' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 425' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 426' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 427' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 428' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 429' ' ' HOH . . . . . 0.565 ' O ' ' NH2' ' A' ' 136' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 430' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 431' ' ' HOH . . . . . 0.752 ' O ' ' OG1' ' A' ' 138' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 432' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 433' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 434' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 435' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 436' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 437' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 438' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 439' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 440' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 441' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 442' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 443' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 444' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 445' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 446' ' ' HOH . . . . . 0.92 ' O ' ' O ' ' A' ' 148' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 447' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 448' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 449' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 450' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 451' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 452' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 453' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 454' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 455' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 456' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 457' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 458' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 459' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 460' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 461' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 462' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 463' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 464' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 465' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 466' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 467' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 468' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 505' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 506' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 507' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 508' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 509' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 510' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 511' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 512' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 513' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 514' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 515' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 516' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 517' ' ' HOH . . . . . 0.61 ' O ' ' C14' ' B' ' 501' ' ' P33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 518' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 519' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 520' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 521' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 522' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 523' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 524' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 525' ' ' HOH . . . . . 0.719 ' O ' ' O ' ' B' ' 76' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 526' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 527' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 528' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 529' ' ' HOH . . . . . 0.979 ' O ' ' O ' ' B' ' 77' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 530' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 531' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 532' ' ' HOH . . . . . 0.491 ' O ' ' NZ ' ' B' ' 117' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 533' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 534' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 535' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 536' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 537' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.552 4.64 0 N-CA-C 116.863 2.171 . . . . 59.03 116.863 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' PRO . . . . . 1.38 ' CG ' ' CB ' ' A' ' 59' ' ' PRO . 1.0 OUTLIER -37.83 -31.07 0.16 Allowed 'Trans proline' 0 N--CA 1.5 1.901 0 CA-C-O 112.15 -3.354 . . . . 59.05 119.014 167.184 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 6.9 p-90 -75.62 -8.84 57.8 Favored 'General case' 0 C--N 1.364 1.232 0 CA-C-N 123.16 2.709 . . . . 49.38 112.505 170.082 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -88.93 122.71 32.57 Favored 'General case' 0 CA--C 1.594 2.656 0 N-CA-C 116.711 2.115 . . . . 43.06 116.711 -177.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -124.13 21.39 8.88 Favored 'General case' 0 C--N 1.309 -1.173 0 O-C-N 121.023 -1.048 . . . . 52.44 111.395 -166.305 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 39.04 -115.09 0.44 Allowed Glycine 0 C--O 1.291 3.716 0 N-CA-C 120.393 2.917 . . . . 40.34 120.393 176.514 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . 0.295 0.7 OUTLIER -88.84 20.08 3.72 Favored 'General case' 0 C--O 1.264 1.866 0 C-N-CA 116.464 -2.094 . . . . 64.17 116.198 -172.621 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ILE . . . . . 0.749 HD12 ' HD2' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -56.58 123.32 56.4 Favored Pre-proline 0 C--O 1.175 -2.844 0 N-CA-C 103.282 -2.859 . . . . 57.5 103.282 -176.945 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 66' ' ' PRO . . . . . 0.749 ' HD2' HD12 ' A' ' 65' ' ' ILE . 39.2 Cg_exo -58.07 152.62 50.56 Favored 'Trans proline' 0 C--O 1.272 2.188 0 CA-C-O 128.759 3.566 . . . . 49.94 112.452 171.99 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 21.2 ttt85 -44.93 -42.87 8.51 Favored 'General case' 0 N--CA 1.507 2.405 0 CA-C-N 110.458 -3.064 . . . . 49.59 113.843 176.105 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.15 -42.18 76.3 Favored 'General case' 0 CA--C 1.438 -3.347 0 CA-C-N 114.283 -1.326 . . . . 50.89 112.231 -173.425 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' LYS . . . . . 0.738 ' CB ' HD11 ' A' ' 65' ' ' ILE . . . -78.09 -28.42 48.69 Favored 'General case' 0 CA--C 1.45 -2.876 0 O-C-N 124.744 1.277 . . . . 50.13 112.713 179.054 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.07 -43.97 97.7 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 118.503 -1.279 . . . . 49.06 110.317 166.275 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLU . . . . . 0.561 ' HG2' ' CG1' ' A' ' 105' ' ' VAL . 84.3 mt-10 -69.07 -42.85 75.67 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 115.74 1.756 . . . . 55.99 115.74 179.868 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . . . -39.66 -51.97 2.27 Favored 'General case' 0 C--O 1.281 2.726 0 CA-C-N 113.076 -1.875 . . . . 59.73 112.674 163.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . . . -72.48 -45.26 60.31 Favored 'General case' 0 C--O 1.26 1.645 0 CA-C-O 125.282 2.468 . . . . 59.69 116.317 -173.178 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 50.4 mt -73.15 -36.56 66.67 Favored 'General case' 0 CA--C 1.492 -1.274 0 O-C-N 120.36 -1.463 . . . . 58.58 109.226 179.636 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' SER . . . . . 0.41 ' HB2' ' O ' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -52.68 -34.84 53.72 Favored 'General case' 0 CA--C 1.561 1.367 0 N-CA-C 113.659 0.985 . . . . 64.69 113.659 172.769 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . . . -88.36 34.09 0.75 Allowed 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 116.16 -1.876 . . . . 68.74 112.382 178.12 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' GLN . . . . . 0.689 ' O ' ' HE2' ' A' ' 100' ' ' LYS . 1.2 mm-40 -120.44 148.43 43.81 Favored 'General case' 0 N--CA 1.514 2.73 0 O-C-N 124.696 1.247 . . . . 65.3 109.195 -174.805 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ARG . . . . . 0.679 ' O ' ' HE3' ' A' ' 100' ' ' LYS . . . -58.08 -79.68 0.02 OUTLIER 'General case' 0 CA--C 1.593 2.625 0 N-CA-C 115.103 1.52 . . . . 67.25 115.103 177.616 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . . . -95.83 156.18 16.44 Favored 'General case' 0 C--O 1.288 3.107 0 CA-C-O 123.269 1.509 . . . . 67.27 112.809 -156.81 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -61.05 137.78 58.22 Favored 'General case' 0 N--CA 1.42 -1.974 0 CA-C-N 110.99 -2.823 . . . . 68.59 111.619 175.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' GLY . . . . . 0.436 ' HA3' ' O ' ' B' ' 147' ' ' PHE . . . 93.86 -3.16 70.4 Favored Glycine 0 CA--C 1.463 -3.192 0 C-N-CA 118.99 -1.576 . . . . 53.56 115.625 -179.306 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.69 130.03 41.59 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 105.2 -2.148 . . . . 50.49 105.2 167.032 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -147.66 165.68 29.72 Favored 'General case' 0 CA--C 1.469 -2.161 0 CA-C-O 124.467 2.08 . . . . 41.36 115.591 -174.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.9 pp -149.44 166.3 29.52 Favored 'General case' 0 CA--C 1.595 2.703 0 CA-C-N 112.146 -2.297 . . . . 40.65 108.129 162.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 93.1 mt -113.27 142.17 26.6 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.002 0 N-CA-C 107.036 -1.468 . . . . 40.37 107.036 171.952 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 28.0 ptt85 -143.07 163.52 32.61 Favored 'General case' 0 CA--C 1.454 -2.74 0 O-C-N 121.036 -1.04 . . . . 39.92 110.305 179.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -62.36 150.15 40.36 Favored 'General case' 0 C--O 1.197 -1.709 0 CA-C-O 122.901 1.334 . . . . 70.76 112.782 171.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.7 t -69.37 149.97 47.82 Favored 'General case' 0 N--CA 1.402 -2.87 0 O-C-N 120.761 -1.212 . . . . 44.63 108.126 -178.218 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' GLU . . . . . 0.826 ' OE2' ' H22' ' A' ' 201' ' ' S1S . 1.9 pt-20 -77.1 -33.69 56.91 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 106.28 -1.748 . . . . 71.1 106.28 -174.947 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 90' ' ' SER . . . . . 0.452 ' OG ' ' O2 ' ' A' ' 201' ' ' S1S . 13.7 p -107.22 -21.57 12.91 Favored 'General case' 0 N--CA 1.432 -1.327 0 CA-C-O 122.08 0.943 . . . . 56.83 113.179 -174.605 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ALA . . . . . 0.468 ' HA ' ' HD3' ' A' ' 92' ' ' PRO 0.253 . . -121.29 114.41 31.91 Favored Pre-proline 0 N--CA 1.477 0.893 0 CA-C-O 124.434 2.064 . . . . 58.82 113.269 -164.253 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 92' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 91' ' ' ALA . 13.2 Cg_exo -61.26 123.47 12.9 Favored 'Trans proline' 0 CA--C 1.486 -1.898 0 CA-C-N 111.417 -2.03 . . . . 59.75 107.929 -173.098 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 88.93 1.05 80.43 Favored Glycine 0 C--N 1.34 0.782 0 O-C-N 124.305 1.003 . . . . 53.7 114.322 174.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -107.49 163.07 13.37 Favored 'General case' 0 CA--C 1.495 -1.158 0 N-CA-C 107.058 -1.46 . . . . 56.37 107.058 -176.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -127.47 154.01 45.61 Favored 'General case' 0 C--O 1.214 -0.811 0 O-C-N 125.709 1.881 . . . . 43.86 108.215 -174.45 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 54.8 m -128.7 139.17 52.36 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 126.408 1.883 . . . . 34.7 107.688 177.369 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.1 tp -108.38 131.79 54.4 Favored 'General case' 0 CA--C 1.598 2.821 0 N-CA-C 105.635 -1.987 . . . . 47.53 105.635 174.859 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 73.3 m -117.33 126.04 52.04 Favored 'General case' 0 N--CA 1.503 2.179 0 N-CA-C 102.749 -3.056 . . . . 37.4 102.749 -174.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 6.3 p -134.38 129.05 52.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 120.515 -1.366 . . . . 41.81 112.671 -175.888 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' LYS . . . . . 0.689 ' HE2' ' O ' ' A' ' 77' ' ' GLN . 20.8 tttp -76.78 122.26 24.51 Favored 'General case' 0 C--O 1.194 -1.825 0 N-CA-C 105.842 -1.91 . . . . 56.83 105.842 -179.017 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -140.33 106.25 5.18 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 112.882 0.697 . . . . 55.02 112.882 174.379 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 47.87 -105.53 0.12 Allowed Glycine 0 N--CA 1.471 0.973 0 CA-C-O 115.857 -2.635 . . . . 61.07 113.296 -169.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . . . -89.77 -20.06 23.98 Favored 'General case' 0 N--CA 1.53 3.569 0 N-CA-C 121.711 3.967 . . . . 64.63 121.711 -174.705 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -114.97 -177.55 3.16 Favored 'General case' 0 C--O 1.284 2.916 0 CA-C-O 121.809 0.814 . . . . 78.75 113.077 176.375 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 105' ' ' VAL . . . . . 0.561 ' CG1' ' HG2' ' A' ' 71' ' ' GLU . 0.8 OUTLIER -123.16 124.81 70.9 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.222 0 N-CA-C 102.856 -3.016 . . . . 55.83 102.856 172.222 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -91.14 140.81 29.46 Favored 'General case' 0 C--O 1.277 2.503 0 CA-C-N 114.726 -1.124 . . . . 60.3 110.008 174.021 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -116.81 126.04 52.48 Favored 'General case' 0 C--O 1.203 -1.387 0 CA-C-N 112.07 -2.332 . . . . 51.51 114.787 171.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -111.24 138.9 47.11 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 124.638 1.211 . . . . 45.34 108.516 176.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' LYS . . . . . 0.49 ' HG3' ' H14' ' A' ' 201' ' ' S1S . 42.2 mttm -76.36 128.63 35.23 Favored 'General case' 0 C--O 1.166 -3.339 0 CA-C-O 118.228 -0.891 . . . . 44.78 110.997 165.667 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 110' ' ' VAL . . . . . 0.501 HG11 HD11 ' B' ' 128' ' ' LEU . 74.8 t -79.73 105.31 9.05 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.87 0 N-CA-C 102.134 -3.284 . . . . 33.47 102.134 -179.333 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 31.3 mt -72.02 151.28 43.29 Favored 'General case' 0 N--CA 1.518 2.97 0 CA-C-O 123.503 1.62 . . . . 43.15 114.874 178.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . 0.438 21.8 mmm-85 -122.38 150.87 41.83 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.136 -0.938 . . . . 42.82 111.968 171.119 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ASP . . . . . 0.415 ' OD2' ' O ' ' A' ' 401' ' ' S1S . 53.8 p30 -107.74 -172.31 2.04 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-O 123.822 1.772 . . . . 32.48 107.953 172.207 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -63.53 -24.54 67.88 Favored Glycine 0 N--CA 1.434 -1.488 0 N-CA-C 117.517 1.767 . . . . 36.29 117.517 177.304 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -92.92 5.78 50.14 Favored 'General case' 0 CA--C 1.44 -3.27 0 O-C-N 120.917 -1.343 . . . . 37.03 110.984 174.142 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 86.13 10.95 73.83 Favored Glycine 1 N--CA 1.517 4.058 0 C-N-CA 118.368 -1.872 . . . . 35.2 111.341 171.664 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 117' ' ' LYS . . . . . 1.394 ' NZ ' ' HB2' ' B' ' 124' ' ' LYS . 0.7 OUTLIER -80.91 162.91 23.72 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 118.656 -2.673 . . . . 56.87 111.931 177.018 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -111.12 145.31 38.82 Favored 'General case' 0 C--O 1.278 2.577 0 N-CA-C 113.523 0.934 . . . . 39.32 113.523 179.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -162.77 161.96 26.44 Favored 'General case' 0 N--CA 1.402 -2.835 0 CA-C-N 114.952 -1.022 . . . . 37.1 112.153 177.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 23.8 mt -96.27 -37.6 10.45 Favored 'General case' 0 CA--C 1.447 -2.996 0 N-CA-C 115.281 1.585 . . . . 39.97 115.281 170.015 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 11.0 p-90 -154.32 159.2 41.09 Favored 'General case' 1 C--O 1.139 -4.726 0 C-N-CA 117.608 -1.637 . . . . 59.94 112.389 174.628 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 122' ' ' VAL . . . . . 0.575 HG12 ' HG3' ' A' ' 124' ' ' LYS . 88.4 t -83.49 116.34 27.36 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.716 0 C-N-CA 118.583 -1.247 . . . . 44.41 109.259 -178.548 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 123' ' ' VAL . . . . . 0.907 HG11 HG21 ' B' ' 123' ' ' VAL . 0.6 OUTLIER -88.56 101.65 12.02 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.363 0 C-N-CA 118.023 -1.471 . . . . 47.74 112.609 -176.865 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 124' ' ' LYS . . . . . 0.575 ' HG3' HG12 ' A' ' 122' ' ' VAL . 24.9 mttt -149.45 155.0 39.71 Favored 'General case' 0 CA--C 1.478 -1.807 0 C-N-CA 127.07 2.148 . . . . 49.69 109.401 -176.161 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -132.01 149.73 52.34 Favored 'General case' 0 C--O 1.272 2.267 0 C-N-CA 115.383 -2.527 . . . . 40.72 108.096 -171.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -75.56 -16.03 60.3 Favored 'General case' 0 CA--C 1.565 1.534 0 N-CA-C 116.313 1.968 . . . . 61.25 116.313 173.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . 0.268 1.3 m -147.44 165.02 31.5 Favored 'General case' 1 CA--C 1.409 -4.479 0 CA-C-O 117.142 -1.409 . . . . 54.88 111.603 179.128 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -53.87 52.88 Favored 'General case' 0 CA--C 1.589 2.469 0 N-CA-C 117.898 2.555 . . . . 50.05 117.898 163.976 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . . . -35.39 -61.17 0.46 Allowed 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 127.117 2.167 . . . . 43.05 114.632 159.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -57.62 -36.34 71.66 Favored 'General case' 0 CA--C 1.498 -1.027 0 C-N-CA 112.957 -3.497 . . . . 56.75 114.226 174.162 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 6.1 tt -65.46 -45.35 84.08 Favored 'General case' 0 CA--C 1.581 2.158 0 O-C-N 118.463 -2.648 . . . . 41.16 112.377 -178.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 45.3 t -55.43 -35.2 36.57 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.723 0 N-CA-C 115.214 1.561 . . . . 45.15 115.214 172.174 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -81.88 -33.16 30.68 Favored 'General case' 0 C--O 1.29 3.209 0 CA-C-N 120.3 1.409 . . . . 56.7 107.685 -172.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -61.74 -45.5 93.65 Favored 'General case' 0 C--O 1.305 3.989 0 CA-C-O 116.463 -1.732 . . . . 45.2 110.625 173.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 -91.5 11.94 22.4 Favored 'General case' 0 CA--C 1.607 3.146 0 C-N-CA 118.598 -1.241 . . . . 37.35 110.686 -168.965 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -74.84 -18.07 60.5 Favored 'General case' 0 N--CA 1.519 3.023 0 C-N-CA 119.268 -0.973 . . . . 62.86 113.459 166.043 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.34 -12.8 6.19 Favored 'General case' 0 C--O 1.302 3.851 0 C-N-CA 125.304 1.442 . . . . 55.96 113.585 178.538 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 138' ' ' THR . . . . . 0.752 ' OG1' ' O ' ' A' ' 431' ' ' HOH . 4.1 m -112.67 136.26 52.46 Favored 'General case' 0 C--N 1.371 1.541 0 O-C-N 125.834 1.959 . . . . 54.76 110.128 172.489 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 8.5 t -57.36 137.7 55.79 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 125.047 1.467 . . . . 37.27 114.899 178.678 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -80.02 -22.6 11.77 Favored 'Isoleucine or valine' 0 C--O 1.283 2.855 0 N-CA-C 108.325 -0.991 . . . . 39.38 108.325 176.29 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.1 t -98.82 145.39 27.01 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 118.111 -0.947 . . . . 40.75 111.416 -174.982 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 2.2 ptp85 -84.73 -14.52 48.1 Favored 'General case' 0 CA--C 1.565 1.557 0 N-CA-C 115.844 1.794 . . . . 42.55 115.844 178.136 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -132.3 2.86 3.92 Favored 'General case' 0 CA--C 1.612 3.356 0 O-C-N 119.642 -1.911 . . . . 48.43 108.063 -172.008 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.6 150.66 39.14 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 103.705 -2.702 . . . . 60.97 103.705 -170.794 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 71.8 mm-40 -92.16 116.13 28.68 Favored 'General case' 0 N--CA 1.499 2.005 0 CA-C-O 117.419 -1.277 . . . . 74.22 107.618 175.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 146' ' ' ILE . . . . . 0.429 HG21 HD13 ' A' ' 146' ' ' ILE . 62.3 mt -144.37 126.21 10.04 Favored 'Isoleucine or valine' 1 C--O 1.312 4.352 0 CA-C-N 121.096 1.771 . . . . 52.23 111.202 178.781 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 147' ' ' PHE . . . . . 0.525 ' O ' ' CB ' ' A' ' 148' ' ' LEU 0.3 . . -102.56 -67.97 0.85 Allowed 'General case' 2 N--CA 1.555 4.811 1 N-CA-C 135.711 9.152 . . . . 47.43 135.711 163.089 . . . . . . . . 5 3 . 1 . 001 ecloud build full ' A' A ' 148' ' ' LEU . . . . . 0.92 ' O ' ' O ' ' A' ' 446' ' ' HOH . . . 173.75 169.4 0.19 Allowed 'General case' 1 N--CA 1.57 5.563 2 O-C-N 111.091 -7.256 . . . . 50.1 123.701 -151.241 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 149' ' ' ARG . . . . . 0.653 ' CB ' ' HA ' ' B' ' 82' ' ' ALA . . . -154.01 169.0 24.56 Favored 'General case' 1 CA--C 1.657 5.088 1 N-CA-C 135.612 9.115 . . . . 60.72 135.612 -124.065 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . . . . . . . . 1 C--O 1.314 4.492 1 C-N-CA 132.699 4.4 . . . . 57.0 109.517 151.285 . . . . . . . . 2 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.429 -3.704 1 N-CA-C 95.805 -5.628 . . . . 69.98 95.805 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' LYS . . . . . 0.679 ' O ' ' N ' ' B' ' 72' ' ' GLU 0.296 . . -72.8 -56.36 5.34 Favored 'General case' 0 N--CA 1.414 -2.266 1 N-CA-C 99.566 -4.235 . . . . 70.37 99.566 -169.484 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' B' B ' 70' ' ' ALA . . . . . 0.717 ' HB1' HD21 ' B' ' 84' ' ' LEU . . . -49.29 -36.87 22.07 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 118.356 -1.338 . . . . 66.92 107.471 -169.001 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 71' ' ' GLU . . . . . 0.499 ' HG2' ' HB ' ' B' ' 105' ' ' VAL . 37.8 mt-10 -64.94 -22.89 67.07 Favored 'General case' 0 C--O 1.293 3.393 0 N-CA-C 118.305 2.706 . . . . 80.42 118.305 172.723 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 72' ' ' GLU . . . . . 0.679 ' N ' ' O ' ' B' ' 69' ' ' LYS . . . -98.51 -25.18 14.85 Favored 'General case' 0 CA--C 1.558 1.259 0 N-CA-C 105.149 -2.167 . . . . 71.65 105.149 173.828 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 73' ' ' MET . . . . . 0.618 ' N ' ' O ' ' B' ' 69' ' ' LYS . . . -75.29 -14.37 60.5 Favored 'General case' 0 C--O 1.3 3.761 0 O-C-N 120.375 -1.453 . . . . 70.91 108.739 179.364 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 23.8 mt -111.78 -22.48 11.12 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 115.791 1.774 . . . . 66.75 115.791 -177.492 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 34.2 m -29.99 -44.51 0.05 OUTLIER 'General case' 0 C--O 1.181 -2.536 0 N-CA-C 119.881 3.289 . . . . 64.77 119.881 151.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' LYS . . . . . 0.719 ' O ' ' O ' ' B' ' 525' ' ' HOH . . . -96.79 6.66 48.24 Favored 'General case' 0 C--O 1.282 2.784 0 CA-C-N 121.602 2.001 . . . . 65.29 110.97 -164.982 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 77' ' ' GLN . . . . . 0.979 ' O ' ' O ' ' B' ' 529' ' ' HOH . 87.8 mm-40 -86.82 146.71 26.12 Favored 'General case' 0 CA--C 1.574 1.903 0 C-N-CA 118.893 -1.123 . . . . 60.87 110.876 172.696 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . . . -91.65 -39.93 11.58 Favored 'General case' 0 N--CA 1.415 -2.184 0 CA-C-N 115.508 -0.769 . . . . 52.51 110.398 -178.284 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 39.3 m170 -78.96 121.15 24.54 Favored 'General case' 0 C--O 1.25 1.121 0 CA-C-O 122.042 0.925 . . . . 59.62 110.959 -174.071 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -52.97 134.99 37.52 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 118.529 -1.268 . . . . 57.39 109.491 160.325 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 101.42 -18.82 52.97 Favored Glycine 0 C--O 1.226 -0.356 0 CA-C-O 117.06 -1.967 . . . . 43.97 112.28 -177.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' ALA . . . . . 0.653 ' HA ' ' CB ' ' A' ' 149' ' ' ARG . . . -48.84 137.62 12.31 Favored 'General case' 0 N--CA 1.508 2.457 0 N-CA-C 103.594 -2.743 . . . . 40.88 103.594 -179.809 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 83' ' ' PHE . . . . . 0.53 ' HD2' ' CB ' ' A' ' 149' ' ' ARG . 10.8 p90 -148.61 167.86 24.32 Favored 'General case' 0 C--N 1.302 -1.488 0 C-N-CA 118.688 -1.205 . . . . 43.42 111.878 -175.499 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 84' ' ' LEU . . . . . 0.717 HD21 ' HB1' ' B' ' 70' ' ' ALA 0.27 3.5 pp -143.5 163.09 34.12 Favored 'General case' 0 C--O 1.167 -3.24 0 C-N-CA 125.059 1.344 . . . . 51.28 112.361 163.571 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 10.4 mt -120.96 142.92 34.94 Favored 'Isoleucine or valine' 0 N--CA 1.385 -3.687 0 N-CA-C 106.269 -1.752 . . . . 48.78 106.269 172.073 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . 0.26 39.9 ptt85 -148.62 -168.5 3.11 Favored 'General case' 0 N--CA 1.425 -1.699 0 C-N-CA 127.081 2.152 . . . . 58.49 112.384 -172.343 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 87' ' ' GLU . . . . . 0.667 ' OE1' ' N ' ' B' ' 87' ' ' GLU . 2.1 mp0 . . . . . 0 N--CA 1.517 2.883 0 N-CA-C 121.246 3.795 . . . . 64.22 121.246 154.292 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.562 2.974 0 N-CA-C 119.263 2.465 . . . . 61.0 119.263 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 94' ' ' ASP . . . . . 0.593 ' OD2' ' NZ ' ' B' ' 109' ' ' LYS . 25.1 t70 -109.84 127.79 54.91 Favored 'General case' 0 C--O 1.184 -2.383 0 N-CA-C 106.615 -1.624 . . . . 67.64 106.615 -166.091 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -115.76 152.34 33.46 Favored 'General case' 0 N--CA 1.521 3.098 0 CA-C-N 120.378 1.444 . . . . 56.28 112.493 -169.566 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 96' ' ' SER . . . . . 0.414 ' OG ' ' HE3' ' B' ' 109' ' ' LYS . 0.4 OUTLIER -137.57 134.04 35.14 Favored 'General case' 0 N--CA 1.398 -3.072 0 N-CA-C 102.832 -3.025 . . . . 44.43 102.832 -172.61 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 11.4 tp -103.59 135.04 45.91 Favored 'General case' 0 C--O 1.171 -3.037 0 N-CA-C 106.763 -1.569 . . . . 42.06 106.763 176.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -125.35 134.98 52.0 Favored 'General case' 0 C--O 1.218 -0.603 0 C-N-CA 124.137 0.975 . . . . 36.47 110.927 177.629 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 2.7 t -136.93 122.72 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.254 0 O-C-N 127.264 2.853 . . . . 41.48 113.693 -161.144 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . . . -72.47 134.21 45.21 Favored 'General case' 0 C--O 1.265 1.906 0 CA-C-O 125.333 2.492 . . . . 45.2 110.068 173.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -143.86 130.96 20.62 Favored 'General case' 0 N--CA 1.391 -3.414 0 CA-C-N 111.673 -2.512 . . . . 55.98 109.979 172.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 36.33 -129.42 0.96 Allowed Glycine 0 N--CA 1.493 2.446 0 CA-C-O 123.155 1.42 . . . . 56.83 111.791 -169.436 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -79.67 -34.16 40.56 Favored 'General case' 1 C--O 1.324 5.0 0 O-C-N 118.774 -2.603 . . . . 69.95 115.023 174.287 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . . . -57.73 155.63 9.83 Favored 'General case' 0 C--O 1.296 3.539 0 CA-C-N 112.767 -2.015 . . . . 59.78 116.015 172.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 105' ' ' VAL . . . . . 0.499 ' HB ' ' HG2' ' B' ' 71' ' ' GLU . 99.0 t -117.78 122.57 70.08 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.216 0 O-C-N 127.265 2.853 . . . . 53.39 111.635 160.844 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -93.13 142.36 27.39 Favored 'General case' 0 CA--C 1.454 -2.742 0 C-N-CA 127.871 2.468 . . . . 45.61 111.203 179.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -127.02 126.27 42.85 Favored 'General case' 0 N--CA 1.506 2.362 0 O-C-N 119.73 -1.856 . . . . 48.46 108.246 -177.027 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -114.56 136.91 52.52 Favored 'General case' 0 C--O 1.168 -3.219 0 N-CA-C 105.346 -2.094 . . . . 38.09 105.346 -178.13 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 109' ' ' LYS . . . . . 0.662 ' CE ' ' O3 ' ' B' ' 301' ' ' S1S . 0.0 OUTLIER -83.81 132.58 34.81 Favored 'General case' 0 C--O 1.169 -3.179 0 O-C-N 118.838 -2.414 . . . . 55.13 114.576 166.154 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 93.4 t -83.4 107.76 15.31 Favored 'Isoleucine or valine' 0 C--O 1.162 -3.529 0 N-CA-C 105.132 -2.173 . . . . 36.13 105.132 176.218 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 25.8 mt -78.82 151.24 32.02 Favored 'General case' 0 C--N 1.281 -2.373 0 CA-C-O 124.88 2.276 . . . . 43.53 110.594 -179.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . . . -129.67 133.12 46.92 Favored 'General case' 1 N--CA 1.356 -5.175 0 O-C-N 120.272 -1.518 . . . . 39.86 110.747 174.596 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 113' ' ' ASP . . . . . 0.42 ' OD2' ' NZ ' ' A' ' 124' ' ' LYS . 34.1 p30 -90.66 -172.52 3.42 Favored 'General case' 0 CA--C 1.556 1.18 0 O-C-N 119.738 -1.851 . . . . 37.13 111.02 -178.187 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.75 -9.79 86.41 Favored Glycine 0 N--CA 1.502 3.053 0 CA-C-N 120.135 1.334 . . . . 36.93 114.083 -175.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -91.54 0.38 57.51 Favored 'General case' 0 C--O 1.168 -3.226 0 N-CA-C 120.267 3.432 . . . . 37.85 120.267 162.354 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . 83.09 8.36 85.7 Favored Glycine 1 C--O 1.167 -4.048 0 C-N-CA 124.355 0.979 . . . . 38.86 112.052 173.069 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 117' ' ' LYS . . . . . 0.456 ' NZ ' ' O ' ' B' ' 532' ' ' HOH . 0.5 OUTLIER -69.33 146.36 52.25 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 116.59 2.07 . . . . 58.88 116.59 167.034 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -104.09 148.55 26.12 Favored 'General case' 1 N--CA 1.366 -4.654 0 CA-C-O 117.384 -1.293 . . . . 48.08 112.38 -179.141 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -157.77 161.59 38.45 Favored 'General case' 0 CA--C 1.487 -1.448 0 O-C-N 124.723 1.264 . . . . 36.0 111.674 176.68 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 36.7 mt -111.1 -33.59 6.43 Favored 'General case' 0 C--O 1.196 -1.716 0 N-CA-C 107.753 -1.203 . . . . 36.28 107.753 173.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 121' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -132.92 161.61 33.81 Favored 'General case' 0 C--O 1.16 -3.614 0 N-CA-C 105.993 -1.854 . . . . 31.89 105.993 -170.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 89.8 t -103.24 96.12 4.37 Favored 'Isoleucine or valine' 0 C--O 1.3 3.75 0 CA-C-N 112.023 -2.353 . . . . 29.66 106.4 168.532 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 123' ' ' VAL . . . . . 0.907 HG21 HG11 ' A' ' 123' ' ' VAL . 51.6 t -89.38 84.59 2.34 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.042 0 N-CA-C 104.377 -2.453 . . . . 35.08 104.377 -165.286 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 124' ' ' LYS . . . . . 1.394 ' HB2' ' NZ ' ' A' ' 117' ' ' LYS . 53.1 mttt -150.5 157.17 42.71 Favored 'General case' 0 CA--C 1.434 -3.519 0 N-CA-C 107.134 -1.432 . . . . 37.14 107.134 176.716 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -131.93 153.35 50.37 Favored 'General case' 0 CA--C 1.443 -3.153 0 N-CA-C 116.65 2.092 . . . . 38.56 116.65 -167.61 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -74.91 -17.71 60.53 Favored 'General case' 0 CA--C 1.497 -1.064 0 N-CA-C 120.243 3.423 . . . . 59.96 120.243 176.171 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 94.6 p -151.87 148.44 27.81 Favored 'General case' 0 C--O 1.27 2.166 0 N-CA-C 106.123 -1.806 . . . . 36.14 106.123 -171.378 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 128' ' ' LEU . . . . . 0.501 HD11 HG11 ' A' ' 110' ' ' VAL 0.259 1.4 tp -55.34 -36.88 66.77 Favored 'General case' 1 N--CA 1.374 -4.255 0 CA-C-N 112.205 -2.271 . . . . 42.16 114.444 173.925 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -52.44 -45.27 65.93 Favored 'General case' 1 C--O 1.118 -5.844 0 N-CA-C 116.3 1.963 . . . . 65.87 116.3 169.89 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -68.14 -46.96 69.39 Favored 'General case' 1 N--CA 1.374 -4.261 0 C-N-CA 128.352 2.661 . . . . 61.44 111.096 176.41 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 6.8 tt -55.09 -44.12 74.6 Favored 'General case' 0 N--CA 1.409 -2.476 0 C-N-CA 116.868 -1.933 . . . . 39.0 107.851 174.448 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 132' ' ' VAL . . . . . . . . . . . . 0.408 3.2 m -66.62 -45.03 89.5 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.115 0 CA-C-O 116.137 -1.887 . . . . 45.75 109.517 -173.699 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 133' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' B' ' 134' ' ' TYR . 21.9 m-20 -61.6 -39.01 89.67 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 116.395 1.998 . . . . 58.44 116.395 173.75 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 134' ' ' TYR . . . . . 0.445 ' C ' ' O ' ' B' ' 133' ' ' ASP . 81.0 t80 -51.14 -56.86 10.6 Favored 'General case' 0 CA--C 1.442 -3.179 0 O-C-N 119.442 -2.036 . . . . 42.56 107.914 174.072 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -77.37 0.47 22.28 Favored 'General case' 0 CA--C 1.614 3.421 0 O-C-N 122.185 -0.322 . . . . 44.48 110.364 -166.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 136' ' ' ARG . . . . . . . . . . . . . 82.9 mtt-85 -60.39 -24.19 64.93 Favored 'General case' 0 CA--C 1.621 3.696 0 C-N-CA 113.766 -3.173 . . . . 55.14 111.734 165.419 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 137' ' ' SER . . . . . . . . . . . . 0.25 1.9 m -127.94 1.52 5.96 Favored 'General case' 0 CA--C 1.433 -3.524 0 O-C-N 118.062 -2.899 . . . . 52.48 112.775 -170.755 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 138' ' ' THR . . . . . . . . . . . . . 75.3 m -138.23 139.44 39.24 Favored 'General case' 0 CA--C 1.463 -2.38 0 N-CA-C 101.256 -3.609 . . . . 51.07 101.256 -179.492 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 45.5 t -66.11 145.41 55.86 Favored 'General case' 1 N--CA 1.306 -7.64 0 CA-C-O 117.119 -1.42 . . . . 40.08 112.718 -170.168 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 140' ' ' VAL . . . . . . . . . . . . . 15.9 m -83.69 -16.17 11.12 Favored 'Isoleucine or valine' 0 CA--C 1.45 -2.898 0 O-C-N 124.211 0.944 . . . . 39.94 109.634 178.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 16.7 t -111.13 151.26 28.33 Favored 'General case' 0 CA--C 1.581 2.161 0 N-CA-C 120.187 3.403 . . . . 42.53 120.187 179.167 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.77 -43.01 57.09 Favored 'General case' 0 CA--C 1.564 1.494 0 O-C-N 120.206 -1.559 . . . . 68.19 112.764 -176.663 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 143' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 -84.83 -34.65 22.65 Favored 'General case' 0 CA--C 1.486 -1.507 0 N-CA-C 117.733 2.494 . . . . 64.46 117.733 179.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . . . -116.15 165.8 12.74 Favored 'General case' 0 C--O 1.302 3.836 0 N-CA-C 113.631 0.974 . . . . 53.38 113.631 -175.513 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 145' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -103.12 116.18 32.01 Favored 'General case' 0 CA--C 1.467 -2.229 0 N-CA-C 104.466 -2.42 . . . . 57.72 104.466 177.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 146' ' ' ILE . . . . . 0.411 HG21 HD13 ' B' ' 146' ' ' ILE . 11.5 mt -153.68 108.52 0.25 Allowed 'Isoleucine or valine' 1 C--O 1.31 4.257 0 N-CA-C 102.892 -3.003 . . . . 47.19 102.892 -166.917 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 147' ' ' PHE . . . . . 0.436 ' O ' ' HA3' ' A' ' 81' ' ' GLY . 20.4 m-85 -112.47 142.36 45.12 Favored 'General case' 0 C--O 1.301 3.791 0 O-C-N 127.257 2.848 . . . . 58.96 111.507 -177.199 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 15.7 mt -68.39 137.18 54.35 Favored 'General case' 0 N--CA 1.399 -2.987 0 N-CA-C 115.977 1.843 . . . . 46.88 115.977 178.015 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.185 0 CA-C-O 115.16 -2.352 . . . . 54.1 113.328 -173.868 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' S1S . . . . . 0.826 ' H22' ' OE2' ' A' ' 89' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 401' ' ' S1S . . . . . 1.077 ' H20' ' HZ2' ' A' ' 117' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 301' ' ' S1S . . . . . 0.662 ' O3 ' ' CE ' ' B' ' 109' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 501' ' ' P33 . . . . . 0.934 H141 ' O ' ' B' ' 517' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 402' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 403' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 404' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 405' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 406' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 407' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 408' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 409' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 410' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 411' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 412' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 413' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 414' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 415' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 416' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 417' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 418' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 419' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 420' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 421' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 422' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 423' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 424' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 425' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 426' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 427' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 428' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 429' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 430' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 431' ' ' HOH . . . . . 0.752 ' O ' ' OG1' ' A' ' 138' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 432' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 433' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 434' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 435' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 436' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 437' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 438' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 439' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 440' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 441' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 442' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 443' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 444' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 445' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 446' ' ' HOH . . . . . 0.92 ' O ' ' O ' ' A' ' 148' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 447' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 448' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 449' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 450' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 451' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 452' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 453' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 454' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 455' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 456' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 457' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 458' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 459' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 460' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 461' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 462' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 463' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 464' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 465' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 466' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 467' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 468' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 505' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 506' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 507' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 508' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 509' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 510' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 511' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 512' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 513' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 514' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 515' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 516' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 517' ' ' HOH . . . . . 0.934 ' O ' H141 ' B' ' 501' ' ' P33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 518' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 519' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 520' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 521' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 522' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 523' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 524' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 525' ' ' HOH . . . . . 0.719 ' O ' ' O ' ' B' ' 76' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 526' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 527' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 528' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 529' ' ' HOH . . . . . 0.979 ' O ' ' O ' ' B' ' 77' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 530' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 531' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 532' ' ' HOH . . . . . 0.456 ' O ' ' NZ ' ' B' ' 117' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 533' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 534' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 535' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 536' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 537' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.552 4.64 0 N-CA-C 116.863 2.171 . . . . 59.030000000000001 116.863 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' PRO . . . . . 1.38 ' CG ' ' CB ' ' A' ' 59' ' ' PRO . 1.0 OUTLIER -37.83 -31.07 0.16 Allowed 'Trans proline' 0 N--CA 1.5 1.901 0 CA-C-O 112.15 -3.354 . . . . 59.049999999999997 119.014 167.184 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 6.9 p-90 -75.62 -8.84 57.8 Favored 'General case' 0 C--N 1.364 1.232 0 CA-C-N 123.16 2.709 . . . . 49.380000000000003 112.505 170.082 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -88.93 122.71 32.57 Favored 'General case' 0 CA--C 1.594 2.656 0 N-CA-C 116.711 2.115 . . . . 43.060000000000002 116.711 -177.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -124.13 21.39 8.88 Favored 'General case' 0 C--N 1.309 -1.173 0 O-C-N 121.023 -1.048 . . . . 52.439999999999998 111.395 -166.305 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 39.04 -115.09 0.44 Allowed Glycine 0 C--O 1.291 3.716 0 N-CA-C 120.393 2.917 . . . . 40.340000000000003 120.393 176.514 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . 0.295 0.7 OUTLIER -88.84 20.08 3.72 Favored 'General case' 0 C--O 1.264 1.866 0 C-N-CA 116.464 -2.094 . . . . 64.170000000000002 116.198 -172.621 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.749 HD12 ' HD2' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -56.58 123.32 56.4 Favored Pre-proline 0 C--O 1.175 -2.844 0 N-CA-C 103.282 -2.859 . . . . 57.5 103.282 -176.945 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.749 ' HD2' HD12 ' A' ' 65' ' ' ILE . 39.2 Cg_exo -58.07 152.62 50.56 Favored 'Trans proline' 0 C--O 1.272 2.188 0 CA-C-O 128.759 3.566 . . . . 49.939999999999998 112.452 171.99 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 21.2 ttt85 -44.93 -42.87 8.51 Favored 'General case' 0 N--CA 1.507 2.405 0 CA-C-N 110.458 -3.064 . . . . 49.590000000000003 113.843 176.105 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.15 -42.18 76.3 Favored 'General case' 0 CA--C 1.438 -3.347 0 CA-C-N 114.283 -1.326 . . . . 50.890000000000001 112.231 -173.425 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.738 ' CB ' HD11 ' A' ' 65' ' ' ILE . . . -78.09 -28.42 48.69 Favored 'General case' 0 CA--C 1.45 -2.876 0 O-C-N 124.744 1.277 . . . . 50.130000000000003 112.713 179.054 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.07 -43.97 97.7 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 118.503 -1.279 . . . . 49.060000000000002 110.317 166.275 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.561 ' HG2' ' CG1' ' A' ' 105' ' ' VAL . 84.3 mt-10 -69.07 -42.85 75.67 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 115.74 1.756 . . . . 55.990000000000002 115.74 179.868 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . . . -39.66 -51.97 2.27 Favored 'General case' 0 C--O 1.281 2.726 0 CA-C-N 113.076 -1.875 . . . . 59.729999999999997 112.674 163.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . . . -72.48 -45.26 60.31 Favored 'General case' 0 C--O 1.26 1.645 0 CA-C-O 125.282 2.468 . . . . 59.689999999999998 116.317 -173.178 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 50.4 mt -73.15 -36.56 66.67 Favored 'General case' 0 CA--C 1.492 -1.274 0 O-C-N 120.36 -1.463 . . . . 58.579999999999998 109.226 179.636 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' SER . . . . . 0.41 ' HB2' ' O ' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -52.68 -34.84 53.72 Favored 'General case' 0 CA--C 1.561 1.367 0 N-CA-C 113.659 0.985 . . . . 64.689999999999998 113.659 172.769 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . . . -88.36 34.09 0.75 Allowed 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 116.16 -1.876 . . . . 68.739999999999995 112.382 178.12 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.689 ' O ' ' HE2' ' A' ' 100' ' ' LYS . 0.0 OUTLIER -120.44 148.43 43.81 Favored 'General case' 0 N--CA 1.514 2.73 0 O-C-N 124.696 1.247 . . . . 65.299999999999997 109.195 -174.805 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.679 ' O ' ' HE3' ' A' ' 100' ' ' LYS . . . -58.08 -79.68 0.02 OUTLIER 'General case' 0 CA--C 1.593 2.625 0 N-CA-C 115.103 1.52 . . . . 67.25 115.103 177.616 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . . . -95.83 156.18 16.44 Favored 'General case' 0 C--O 1.288 3.107 0 CA-C-O 123.269 1.509 . . . . 67.269999999999996 112.809 -156.81 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -61.05 137.78 58.22 Favored 'General case' 0 N--CA 1.42 -1.974 0 CA-C-N 110.99 -2.823 . . . . 68.590000000000003 111.619 175.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.436 ' HA3' ' O ' ' B' ' 147' ' ' PHE . . . 93.86 -3.16 70.4 Favored Glycine 0 CA--C 1.463 -3.192 0 C-N-CA 118.99 -1.576 . . . . 53.560000000000002 115.625 -179.306 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.69 130.03 41.59 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 105.2 -2.148 . . . . 50.490000000000002 105.2 167.032 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -147.66 165.68 29.72 Favored 'General case' 0 CA--C 1.469 -2.161 0 CA-C-O 124.467 2.08 . . . . 41.359999999999999 115.591 -174.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.9 pp -149.44 166.3 29.52 Favored 'General case' 0 CA--C 1.595 2.703 0 CA-C-N 112.146 -2.297 . . . . 40.649999999999999 108.129 162.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 93.1 mt -113.27 142.17 26.6 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.002 0 N-CA-C 107.036 -1.468 . . . . 40.369999999999997 107.036 171.952 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 28.0 ptt85 -143.07 163.52 32.61 Favored 'General case' 0 CA--C 1.454 -2.74 0 O-C-N 121.036 -1.04 . . . . 39.920000000000002 110.305 179.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -62.36 150.15 40.36 Favored 'General case' 0 C--O 1.197 -1.709 0 CA-C-O 122.901 1.334 . . . . 70.760000000000005 112.782 171.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.7 t -69.37 149.97 47.82 Favored 'General case' 0 N--CA 1.402 -2.87 0 O-C-N 120.761 -1.212 . . . . 44.630000000000003 108.126 -178.218 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.826 ' OE2' ' H22' ' A' ' 201' ' ' S1S . 1.9 pt-20 -77.1 -33.69 56.91 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 106.28 -1.748 . . . . 71.099999999999994 106.28 -174.947 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' SER . . . . . 0.452 ' OG ' ' O2 ' ' A' ' 201' ' ' S1S . 13.7 p -107.22 -21.57 12.91 Favored 'General case' 0 N--CA 1.432 -1.327 0 CA-C-O 122.08 0.943 . . . . 56.829999999999998 113.179 -174.605 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.468 ' HA ' ' HD3' ' A' ' 92' ' ' PRO 0.253 . . -121.29 114.41 31.91 Favored Pre-proline 0 N--CA 1.477 0.893 0 CA-C-O 124.434 2.064 . . . . 58.82 113.269 -164.253 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 91' ' ' ALA . 13.2 Cg_exo -61.26 123.47 12.9 Favored 'Trans proline' 0 CA--C 1.486 -1.898 0 CA-C-N 111.417 -2.03 . . . . 59.75 107.929 -173.098 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 88.93 1.05 80.43 Favored Glycine 0 C--N 1.34 0.782 0 O-C-N 124.305 1.003 . . . . 53.700000000000003 114.322 174.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -107.49 163.07 13.37 Favored 'General case' 0 CA--C 1.495 -1.158 0 N-CA-C 107.058 -1.46 . . . . 56.369999999999997 107.058 -176.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -127.47 154.01 45.61 Favored 'General case' 0 C--O 1.214 -0.811 0 O-C-N 125.709 1.881 . . . . 43.859999999999999 108.215 -174.45 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 54.8 m -128.7 139.17 52.36 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 126.408 1.883 . . . . 34.700000000000003 107.688 177.369 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.1 tp -108.38 131.79 54.4 Favored 'General case' 0 CA--C 1.598 2.821 0 N-CA-C 105.635 -1.987 . . . . 47.530000000000001 105.635 174.859 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 73.3 m -117.33 126.04 52.04 Favored 'General case' 0 N--CA 1.503 2.179 0 N-CA-C 102.749 -3.056 . . . . 37.399999999999999 102.749 -174.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 6.3 p -134.38 129.05 52.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 120.515 -1.366 . . . . 41.810000000000002 112.671 -175.888 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.689 ' HE2' ' O ' ' A' ' 77' ' ' GLN . 20.8 tttp -76.78 122.26 24.51 Favored 'General case' 0 C--O 1.194 -1.825 0 N-CA-C 105.842 -1.91 . . . . 56.829999999999998 105.842 -179.017 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -140.33 106.25 5.18 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 112.882 0.697 . . . . 55.020000000000003 112.882 174.379 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 47.87 -105.53 0.12 Allowed Glycine 0 N--CA 1.471 0.973 0 CA-C-O 115.857 -2.635 . . . . 61.07 113.296 -169.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . . . -89.77 -20.06 23.98 Favored 'General case' 0 N--CA 1.53 3.569 0 N-CA-C 121.711 3.967 . . . . 64.629999999999995 121.711 -174.705 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -114.97 -177.55 3.16 Favored 'General case' 0 C--O 1.284 2.916 0 CA-C-O 121.809 0.814 . . . . 78.75 113.077 176.375 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.561 ' CG1' ' HG2' ' A' ' 71' ' ' GLU . 0.8 OUTLIER -123.16 124.81 70.9 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.222 0 N-CA-C 102.856 -3.016 . . . . 55.829999999999998 102.856 172.222 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -91.14 140.81 29.46 Favored 'General case' 0 C--O 1.277 2.503 0 CA-C-N 114.726 -1.124 . . . . 60.299999999999997 110.008 174.021 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -116.81 126.04 52.48 Favored 'General case' 0 C--O 1.203 -1.387 0 CA-C-N 112.07 -2.332 . . . . 51.509999999999998 114.787 171.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -111.24 138.9 47.11 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 124.638 1.211 . . . . 45.340000000000003 108.516 176.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.49 ' HG3' ' H14' ' A' ' 201' ' ' S1S . 42.2 mttm -76.36 128.63 35.23 Favored 'General case' 0 C--O 1.166 -3.339 0 CA-C-O 118.228 -0.891 . . . . 44.780000000000001 110.997 165.667 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.501 HG11 HD11 ' B' ' 128' ' ' LEU . 74.8 t -79.73 105.31 9.05 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.87 0 N-CA-C 102.134 -3.284 . . . . 33.469999999999999 102.134 -179.333 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 31.3 mt -72.02 151.28 43.29 Favored 'General case' 0 N--CA 1.518 2.97 0 CA-C-O 123.503 1.62 . . . . 43.149999999999999 114.874 178.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . 0.438 21.8 mmm-85 -122.38 150.87 41.83 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.136 -0.938 . . . . 42.82 111.968 171.119 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.415 ' OD2' ' O ' ' A' ' 401' ' ' S1S . 53.8 p30 -107.74 -172.31 2.04 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-O 123.822 1.772 . . . . 32.479999999999997 107.953 172.207 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -63.53 -24.54 67.88 Favored Glycine 0 N--CA 1.434 -1.488 0 N-CA-C 117.517 1.767 . . . . 36.289999999999999 117.517 177.304 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -92.92 5.78 50.14 Favored 'General case' 0 CA--C 1.44 -3.27 0 O-C-N 120.917 -1.343 . . . . 37.030000000000001 110.984 174.142 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 86.13 10.95 73.83 Favored Glycine 1 N--CA 1.517 4.058 0 C-N-CA 118.368 -1.872 . . . . 35.200000000000003 111.341 171.664 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' LYS . . . . . 1.394 ' NZ ' ' HB2' ' B' ' 124' ' ' LYS . 0.7 OUTLIER -80.91 162.91 23.72 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 118.656 -2.673 . . . . 56.869999999999997 111.931 177.018 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -111.12 145.31 38.82 Favored 'General case' 0 C--O 1.278 2.577 0 N-CA-C 113.523 0.934 . . . . 39.32 113.523 179.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -162.77 161.96 26.44 Favored 'General case' 0 N--CA 1.402 -2.835 0 CA-C-N 114.952 -1.022 . . . . 37.100000000000001 112.153 177.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 23.8 mt -96.27 -37.6 10.45 Favored 'General case' 0 CA--C 1.447 -2.996 0 N-CA-C 115.281 1.585 . . . . 39.969999999999999 115.281 170.015 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 11.0 p-90 -154.32 159.2 41.09 Favored 'General case' 1 C--O 1.139 -4.726 0 C-N-CA 117.608 -1.637 . . . . 59.939999999999998 112.389 174.628 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.575 HG12 ' HG3' ' A' ' 124' ' ' LYS . 88.4 t -83.49 116.34 27.36 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.716 0 C-N-CA 118.583 -1.247 . . . . 44.409999999999997 109.259 -178.548 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.907 HG11 HG21 ' B' ' 123' ' ' VAL . 0.6 OUTLIER -88.56 101.65 12.02 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.363 0 C-N-CA 118.023 -1.471 . . . . 47.740000000000002 112.609 -176.865 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.575 ' HG3' HG12 ' A' ' 122' ' ' VAL . 24.9 mttt -149.45 155.0 39.71 Favored 'General case' 0 CA--C 1.478 -1.807 0 C-N-CA 127.07 2.148 . . . . 49.689999999999998 109.401 -176.161 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -132.01 149.73 52.34 Favored 'General case' 0 C--O 1.272 2.267 0 C-N-CA 115.383 -2.527 . . . . 40.719999999999999 108.096 -171.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -75.56 -16.03 60.3 Favored 'General case' 0 CA--C 1.565 1.534 0 N-CA-C 116.313 1.968 . . . . 61.25 116.313 173.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . 0.268 1.3 m -147.44 165.02 31.5 Favored 'General case' 1 CA--C 1.409 -4.479 0 CA-C-O 117.142 -1.409 . . . . 54.880000000000003 111.603 179.128 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -53.87 52.88 Favored 'General case' 0 CA--C 1.589 2.469 0 N-CA-C 117.898 2.555 . . . . 50.049999999999997 117.898 163.976 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . . . -35.39 -61.17 0.46 Allowed 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 127.117 2.167 . . . . 43.049999999999997 114.632 159.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -57.62 -36.34 71.66 Favored 'General case' 0 CA--C 1.498 -1.027 0 C-N-CA 112.957 -3.497 . . . . 56.75 114.226 174.162 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 6.1 tt -65.46 -45.35 84.08 Favored 'General case' 0 CA--C 1.581 2.158 0 O-C-N 118.463 -2.648 . . . . 41.159999999999997 112.377 -178.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 45.3 t -55.43 -35.2 36.57 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.723 0 N-CA-C 115.214 1.561 . . . . 45.149999999999999 115.214 172.174 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -81.88 -33.16 30.68 Favored 'General case' 0 C--O 1.29 3.209 0 CA-C-N 120.3 1.409 . . . . 56.700000000000003 107.685 -172.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -61.74 -45.5 93.65 Favored 'General case' 0 C--O 1.305 3.989 0 CA-C-O 116.463 -1.732 . . . . 45.200000000000003 110.625 173.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 -91.5 11.94 22.4 Favored 'General case' 0 CA--C 1.607 3.146 0 C-N-CA 118.598 -1.241 . . . . 37.350000000000001 110.686 -168.965 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -74.84 -18.07 60.5 Favored 'General case' 0 N--CA 1.519 3.023 0 C-N-CA 119.268 -0.973 . . . . 62.859999999999999 113.459 166.043 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.34 -12.8 6.19 Favored 'General case' 0 C--O 1.302 3.851 0 C-N-CA 125.304 1.442 . . . . 55.960000000000001 113.585 178.538 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' THR . . . . . 0.752 ' OG1' ' O ' ' A' ' 431' ' ' HOH . 4.1 m -112.67 136.26 52.46 Favored 'General case' 0 C--N 1.371 1.541 0 O-C-N 125.834 1.959 . . . . 54.759999999999998 110.128 172.489 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 8.5 t -57.36 137.7 55.79 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 125.047 1.467 . . . . 37.270000000000003 114.899 178.678 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -80.02 -22.6 11.77 Favored 'Isoleucine or valine' 0 C--O 1.283 2.855 0 N-CA-C 108.325 -0.991 . . . . 39.380000000000003 108.325 176.29 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.1 t -98.82 145.39 27.01 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 118.111 -0.947 . . . . 40.75 111.416 -174.982 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 2.2 ptp85 -84.73 -14.52 48.1 Favored 'General case' 0 CA--C 1.565 1.557 0 N-CA-C 115.844 1.794 . . . . 42.549999999999997 115.844 178.136 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.474 ' ND2' ' HG2' ' A' ' 144' ' ' GLN . 0.2 OUTLIER -132.3 2.86 3.92 Favored 'General case' 0 CA--C 1.612 3.356 0 O-C-N 119.642 -1.911 . . . . 48.43 108.063 -172.008 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' GLN . . . . . 0.474 ' HG2' ' ND2' ' A' ' 143' ' ' ASN . 0.0 OUTLIER -143.6 150.66 39.14 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 103.705 -2.702 . . . . 60.969999999999999 103.705 -170.794 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 71.8 mm-40 -92.16 116.13 28.68 Favored 'General case' 0 N--CA 1.499 2.005 0 CA-C-O 117.419 -1.277 . . . . 74.219999999999999 107.618 175.267 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.429 HD13 HG21 ' A' ' 146' ' ' ILE . 62.3 mt -144.37 126.21 10.04 Favored 'Isoleucine or valine' 1 C--O 1.312 4.352 0 CA-C-N 121.096 1.771 . . . . 52.229999999999997 111.202 178.781 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.525 ' O ' ' CB ' ' A' ' 148' ' ' LEU 0.3 . . -102.56 -67.97 0.85 Allowed 'General case' 2 N--CA 1.555 4.811 1 N-CA-C 135.711 9.152 . . . . 47.43 135.711 163.089 . . . . . . . . 5 3 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.92 ' O ' ' O ' ' A' ' 446' ' ' HOH . . . 173.75 169.4 0.19 Allowed 'General case' 1 N--CA 1.57 5.563 2 O-C-N 111.091 -7.256 . . . . 50.100000000000001 123.701 -151.241 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.653 ' CB ' ' HA ' ' B' ' 82' ' ' ALA . . . -154.01 169.0 24.56 Favored 'General case' 1 CA--C 1.657 5.088 1 N-CA-C 135.612 9.115 . . . . 60.719999999999999 135.612 -124.065 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . . . . . . . . 1 C--O 1.314 4.492 1 C-N-CA 132.699 4.4 . . . . 57.0 109.517 151.285 . . . . . . . . 2 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.429 -3.704 1 N-CA-C 95.805 -5.628 . . . . 69.980000000000004 95.805 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' LYS . . . . . 0.679 ' O ' ' N ' ' B' ' 72' ' ' GLU 0.296 . . -72.8 -56.36 5.34 Favored 'General case' 0 N--CA 1.414 -2.266 1 N-CA-C 99.566 -4.235 . . . . 70.370000000000005 99.566 -169.484 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' ALA . . . . . 0.717 ' HB1' HD21 ' B' ' 84' ' ' LEU . . . -49.29 -36.87 22.07 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 118.356 -1.338 . . . . 66.920000000000002 107.471 -169.001 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' GLU . . . . . 0.499 ' HG2' ' HB ' ' B' ' 105' ' ' VAL . 37.8 mt-10 -64.94 -22.89 67.07 Favored 'General case' 0 C--O 1.293 3.393 0 N-CA-C 118.305 2.706 . . . . 80.420000000000002 118.305 172.723 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.679 ' N ' ' O ' ' B' ' 69' ' ' LYS . . . -98.51 -25.18 14.85 Favored 'General case' 0 CA--C 1.558 1.259 0 N-CA-C 105.149 -2.167 . . . . 71.650000000000006 105.149 173.828 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' MET . . . . . 0.618 ' N ' ' O ' ' B' ' 69' ' ' LYS . . . -75.29 -14.37 60.5 Favored 'General case' 0 C--O 1.3 3.761 0 O-C-N 120.375 -1.453 . . . . 70.909999999999997 108.739 179.364 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 23.8 mt -111.78 -22.48 11.12 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 115.791 1.774 . . . . 66.75 115.791 -177.492 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 34.2 m -29.99 -44.51 0.05 OUTLIER 'General case' 0 C--O 1.181 -2.536 0 N-CA-C 119.881 3.289 . . . . 64.769999999999996 119.881 151.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' LYS . . . . . 0.719 ' O ' ' O ' ' B' ' 525' ' ' HOH . . . -96.79 6.66 48.24 Favored 'General case' 0 C--O 1.282 2.784 0 CA-C-N 121.602 2.001 . . . . 65.290000000000006 110.97 -164.982 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' GLN . . . . . 0.979 ' O ' ' O ' ' B' ' 529' ' ' HOH . 87.8 mm-40 -86.82 146.71 26.12 Favored 'General case' 0 CA--C 1.574 1.903 0 C-N-CA 118.893 -1.123 . . . . 60.869999999999997 110.876 172.696 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . . . -91.65 -39.93 11.58 Favored 'General case' 0 N--CA 1.415 -2.184 0 CA-C-N 115.508 -0.769 . . . . 52.509999999999998 110.398 -178.284 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 39.3 m170 -78.96 121.15 24.54 Favored 'General case' 0 C--O 1.25 1.121 0 CA-C-O 122.042 0.925 . . . . 59.619999999999997 110.959 -174.071 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -52.97 134.99 37.52 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 118.529 -1.268 . . . . 57.390000000000001 109.491 160.325 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 101.42 -18.82 52.97 Favored Glycine 0 C--O 1.226 -0.356 0 CA-C-O 117.06 -1.967 . . . . 43.969999999999999 112.28 -177.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' ALA . . . . . 0.653 ' HA ' ' CB ' ' A' ' 149' ' ' ARG . . . -48.84 137.62 12.31 Favored 'General case' 0 N--CA 1.508 2.457 0 N-CA-C 103.594 -2.743 . . . . 40.880000000000003 103.594 -179.809 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' PHE . . . . . 0.53 ' HD2' ' CB ' ' A' ' 149' ' ' ARG . 10.8 p90 -148.61 167.86 24.32 Favored 'General case' 0 C--N 1.302 -1.488 0 C-N-CA 118.688 -1.205 . . . . 43.420000000000002 111.878 -175.499 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.717 HD21 ' HB1' ' B' ' 70' ' ' ALA 0.27 3.5 pp -143.5 163.09 34.12 Favored 'General case' 0 C--O 1.167 -3.24 0 C-N-CA 125.059 1.344 . . . . 51.280000000000001 112.361 163.571 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 10.4 mt -120.96 142.92 34.94 Favored 'Isoleucine or valine' 0 N--CA 1.385 -3.687 0 N-CA-C 106.269 -1.752 . . . . 48.780000000000001 106.269 172.073 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . 0.26 39.9 ptt85 -148.62 -168.5 3.11 Favored 'General case' 0 N--CA 1.425 -1.699 0 C-N-CA 127.081 2.152 . . . . 58.490000000000002 112.384 -172.343 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.667 ' N ' ' OE1' ' B' ' 87' ' ' GLU . 2.1 mp0 . . . . . 0 N--CA 1.517 2.883 0 N-CA-C 121.246 3.795 . . . . 64.219999999999999 121.246 154.292 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.562 2.974 0 N-CA-C 119.263 2.465 . . . . 61.0 119.263 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' ASP . . . . . 0.593 ' OD2' ' NZ ' ' B' ' 109' ' ' LYS . 25.1 t70 -109.84 127.79 54.91 Favored 'General case' 0 C--O 1.184 -2.383 0 N-CA-C 106.615 -1.624 . . . . 67.640000000000001 106.615 -166.091 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -115.76 152.34 33.46 Favored 'General case' 0 N--CA 1.521 3.098 0 CA-C-N 120.378 1.444 . . . . 56.280000000000001 112.493 -169.566 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' SER . . . . . 0.414 ' OG ' ' HE3' ' B' ' 109' ' ' LYS . 0.4 OUTLIER -137.57 134.04 35.14 Favored 'General case' 0 N--CA 1.398 -3.072 0 N-CA-C 102.832 -3.025 . . . . 44.43 102.832 -172.61 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 11.4 tp -103.59 135.04 45.91 Favored 'General case' 0 C--O 1.171 -3.037 0 N-CA-C 106.763 -1.569 . . . . 42.060000000000002 106.763 176.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -125.35 134.98 52.0 Favored 'General case' 0 C--O 1.218 -0.603 0 C-N-CA 124.137 0.975 . . . . 36.469999999999999 110.927 177.629 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 2.7 t -136.93 122.72 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.254 0 O-C-N 127.264 2.853 . . . . 41.479999999999997 113.693 -161.144 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . . . -72.47 134.21 45.21 Favored 'General case' 0 C--O 1.265 1.906 0 CA-C-O 125.333 2.492 . . . . 45.200000000000003 110.068 173.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -143.86 130.96 20.62 Favored 'General case' 0 N--CA 1.391 -3.414 0 CA-C-N 111.673 -2.512 . . . . 55.979999999999997 109.979 172.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 36.33 -129.42 0.96 Allowed Glycine 0 N--CA 1.493 2.446 0 CA-C-O 123.155 1.42 . . . . 56.829999999999998 111.791 -169.436 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -79.67 -34.16 40.56 Favored 'General case' 1 C--O 1.324 5.0 0 O-C-N 118.774 -2.603 . . . . 69.950000000000003 115.023 174.287 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . . . -57.73 155.63 9.83 Favored 'General case' 0 C--O 1.296 3.539 0 CA-C-N 112.767 -2.015 . . . . 59.780000000000001 116.015 172.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' VAL . . . . . 0.499 ' HB ' ' HG2' ' B' ' 71' ' ' GLU . 99.0 t -117.78 122.57 70.08 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.216 0 O-C-N 127.265 2.853 . . . . 53.390000000000001 111.635 160.844 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -93.13 142.36 27.39 Favored 'General case' 0 CA--C 1.454 -2.742 0 C-N-CA 127.871 2.468 . . . . 45.609999999999999 111.203 179.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -127.02 126.27 42.85 Favored 'General case' 0 N--CA 1.506 2.362 0 O-C-N 119.73 -1.856 . . . . 48.460000000000001 108.246 -177.027 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -114.56 136.91 52.52 Favored 'General case' 0 C--O 1.168 -3.219 0 N-CA-C 105.346 -2.094 . . . . 38.090000000000003 105.346 -178.13 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' LYS . . . . . 0.662 ' CE ' ' O3 ' ' B' ' 301' ' ' S1S . 0.0 OUTLIER -83.81 132.58 34.81 Favored 'General case' 0 C--O 1.169 -3.179 0 O-C-N 118.838 -2.414 . . . . 55.130000000000003 114.576 166.154 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 93.4 t -83.4 107.76 15.31 Favored 'Isoleucine or valine' 0 C--O 1.162 -3.529 0 N-CA-C 105.132 -2.173 . . . . 36.130000000000003 105.132 176.218 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 25.8 mt -78.82 151.24 32.02 Favored 'General case' 0 C--N 1.281 -2.373 0 CA-C-O 124.88 2.276 . . . . 43.530000000000001 110.594 -179.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . . . -129.67 133.12 46.92 Favored 'General case' 1 N--CA 1.356 -5.175 0 O-C-N 120.272 -1.518 . . . . 39.859999999999999 110.747 174.596 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' ASP . . . . . 0.42 ' OD2' ' NZ ' ' A' ' 124' ' ' LYS . 34.1 p30 -90.66 -172.52 3.42 Favored 'General case' 0 CA--C 1.556 1.18 0 O-C-N 119.738 -1.851 . . . . 37.130000000000003 111.02 -178.187 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.75 -9.79 86.41 Favored Glycine 0 N--CA 1.502 3.053 0 CA-C-N 120.135 1.334 . . . . 36.93 114.083 -175.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -91.54 0.38 57.51 Favored 'General case' 0 C--O 1.168 -3.226 0 N-CA-C 120.267 3.432 . . . . 37.850000000000001 120.267 162.354 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . 83.09 8.36 85.7 Favored Glycine 1 C--O 1.167 -4.048 0 C-N-CA 124.355 0.979 . . . . 38.859999999999999 112.052 173.069 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.456 ' NZ ' ' O ' ' B' ' 532' ' ' HOH . 0.5 OUTLIER -69.33 146.36 52.25 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 116.59 2.07 . . . . 58.880000000000003 116.59 167.034 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -104.09 148.55 26.12 Favored 'General case' 1 N--CA 1.366 -4.654 0 CA-C-O 117.384 -1.293 . . . . 48.079999999999998 112.38 -179.141 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -157.77 161.59 38.45 Favored 'General case' 0 CA--C 1.487 -1.448 0 O-C-N 124.723 1.264 . . . . 36.0 111.674 176.68 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 36.7 mt -111.1 -33.59 6.43 Favored 'General case' 0 C--O 1.196 -1.716 0 N-CA-C 107.753 -1.203 . . . . 36.280000000000001 107.753 173.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -132.92 161.61 33.81 Favored 'General case' 0 C--O 1.16 -3.614 0 N-CA-C 105.993 -1.854 . . . . 31.890000000000001 105.993 -170.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 89.8 t -103.24 96.12 4.37 Favored 'Isoleucine or valine' 0 C--O 1.3 3.75 0 CA-C-N 112.023 -2.353 . . . . 29.66 106.4 168.532 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' VAL . . . . . 0.907 HG21 HG11 ' A' ' 123' ' ' VAL . 51.6 t -89.38 84.59 2.34 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.042 0 N-CA-C 104.377 -2.453 . . . . 35.079999999999998 104.377 -165.286 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' LYS . . . . . 1.394 ' HB2' ' NZ ' ' A' ' 117' ' ' LYS . 53.1 mttt -150.5 157.17 42.71 Favored 'General case' 0 CA--C 1.434 -3.519 0 N-CA-C 107.134 -1.432 . . . . 37.140000000000001 107.134 176.716 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -131.93 153.35 50.37 Favored 'General case' 0 CA--C 1.443 -3.153 0 N-CA-C 116.65 2.092 . . . . 38.560000000000002 116.65 -167.61 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -74.91 -17.71 60.53 Favored 'General case' 0 CA--C 1.497 -1.064 0 N-CA-C 120.243 3.423 . . . . 59.960000000000001 120.243 176.171 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 94.6 p -151.87 148.44 27.81 Favored 'General case' 0 C--O 1.27 2.166 0 N-CA-C 106.123 -1.806 . . . . 36.140000000000001 106.123 -171.378 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.501 HD11 HG11 ' A' ' 110' ' ' VAL 0.259 1.4 tp -55.34 -36.88 66.77 Favored 'General case' 1 N--CA 1.374 -4.255 0 CA-C-N 112.205 -2.271 . . . . 42.159999999999997 114.444 173.925 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -52.44 -45.27 65.93 Favored 'General case' 1 C--O 1.118 -5.844 0 N-CA-C 116.3 1.963 . . . . 65.870000000000005 116.3 169.89 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -68.14 -46.96 69.39 Favored 'General case' 1 N--CA 1.374 -4.261 0 C-N-CA 128.352 2.661 . . . . 61.439999999999998 111.096 176.41 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 6.8 tt -55.09 -44.12 74.6 Favored 'General case' 0 N--CA 1.409 -2.476 0 C-N-CA 116.868 -1.933 . . . . 39.0 107.851 174.448 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 132' ' ' VAL . . . . . . . . . . . . 0.408 3.2 m -66.62 -45.03 89.5 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.115 0 CA-C-O 116.137 -1.887 . . . . 45.75 109.517 -173.699 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 133' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' B' ' 134' ' ' TYR . 21.9 m-20 -61.6 -39.01 89.67 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 116.395 1.998 . . . . 58.439999999999998 116.395 173.75 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 134' ' ' TYR . . . . . 0.445 ' C ' ' O ' ' B' ' 133' ' ' ASP . 81.0 t80 -51.14 -56.86 10.6 Favored 'General case' 0 CA--C 1.442 -3.179 0 O-C-N 119.442 -2.036 . . . . 42.560000000000002 107.914 174.072 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -77.37 0.47 22.28 Favored 'General case' 0 CA--C 1.614 3.421 0 O-C-N 122.185 -0.322 . . . . 44.479999999999997 110.364 -166.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 136' ' ' ARG . . . . . . . . . . . . . 82.9 mtt-85 -60.39 -24.19 64.93 Favored 'General case' 0 CA--C 1.621 3.696 0 C-N-CA 113.766 -3.173 . . . . 55.140000000000001 111.734 165.419 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 137' ' ' SER . . . . . . . . . . . . 0.25 1.9 m -127.94 1.52 5.96 Favored 'General case' 0 CA--C 1.433 -3.524 0 O-C-N 118.062 -2.899 . . . . 52.479999999999997 112.775 -170.755 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 138' ' ' THR . . . . . . . . . . . . . 75.3 m -138.23 139.44 39.24 Favored 'General case' 0 CA--C 1.463 -2.38 0 N-CA-C 101.256 -3.609 . . . . 51.07 101.256 -179.492 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 45.5 t -66.11 145.41 55.86 Favored 'General case' 1 N--CA 1.306 -7.64 0 CA-C-O 117.119 -1.42 . . . . 40.079999999999998 112.718 -170.168 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 140' ' ' VAL . . . . . . . . . . . . . 15.9 m -83.69 -16.17 11.12 Favored 'Isoleucine or valine' 0 CA--C 1.45 -2.898 0 O-C-N 124.211 0.944 . . . . 39.939999999999998 109.634 178.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 16.7 t -111.13 151.26 28.33 Favored 'General case' 0 CA--C 1.581 2.161 0 N-CA-C 120.187 3.403 . . . . 42.530000000000001 120.187 179.167 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.77 -43.01 57.09 Favored 'General case' 0 CA--C 1.564 1.494 0 O-C-N 120.206 -1.559 . . . . 68.189999999999998 112.764 -176.663 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 143' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 -84.83 -34.65 22.65 Favored 'General case' 0 CA--C 1.486 -1.507 0 N-CA-C 117.733 2.494 . . . . 64.459999999999994 117.733 179.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . . . -116.15 165.8 12.74 Favored 'General case' 0 C--O 1.302 3.836 0 N-CA-C 113.631 0.974 . . . . 53.380000000000003 113.631 -175.513 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 145' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -103.12 116.18 32.01 Favored 'General case' 0 CA--C 1.467 -2.229 0 N-CA-C 104.466 -2.42 . . . . 57.719999999999999 104.466 177.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 146' ' ' ILE . . . . . 0.411 HG21 HD13 ' B' ' 146' ' ' ILE . 11.5 mt -153.68 108.52 0.25 Allowed 'Isoleucine or valine' 1 C--O 1.31 4.257 0 N-CA-C 102.892 -3.003 . . . . 47.189999999999998 102.892 -166.917 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 147' ' ' PHE . . . . . 0.436 ' O ' ' HA3' ' A' ' 81' ' ' GLY . 20.4 m-85 -112.47 142.36 45.12 Favored 'General case' 0 C--O 1.301 3.791 0 O-C-N 127.257 2.848 . . . . 58.960000000000001 111.507 -177.199 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 15.7 mt -68.39 137.18 54.35 Favored 'General case' 0 N--CA 1.399 -2.987 0 N-CA-C 115.977 1.843 . . . . 46.880000000000003 115.977 178.015 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.185 0 CA-C-O 115.16 -2.352 . . . . 54.100000000000001 113.328 -173.868 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' S1S . . . . . 0.826 ' H22' ' OE2' ' A' ' 89' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 401' ' ' S1S . . . . . 1.077 ' H20' ' HZ2' ' A' ' 117' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 301' ' ' S1S . . . . . 0.662 ' O3 ' ' CE ' ' B' ' 109' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 501' ' ' P33 . . . . . 0.934 H141 ' O ' ' B' ' 517' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 402' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 403' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 404' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 405' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 406' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 407' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 408' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 409' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 410' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 411' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 412' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 413' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 414' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 415' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 416' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 417' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 418' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 419' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 420' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 421' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 422' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 423' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 424' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 425' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 426' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 427' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 428' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 429' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 430' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 431' ' ' HOH . . . . . 0.752 ' O ' ' OG1' ' A' ' 138' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 432' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 433' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 434' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 435' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 436' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 437' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 438' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 439' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 440' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 441' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 442' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 443' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 444' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 445' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 446' ' ' HOH . . . . . 0.92 ' O ' ' O ' ' A' ' 148' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 447' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 448' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 449' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 450' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 451' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 452' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 453' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 454' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 455' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 456' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 457' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 458' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 459' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 460' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 461' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 462' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 463' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 464' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 465' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 466' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 467' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 468' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 505' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 506' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 507' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 508' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 509' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 510' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 511' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 512' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 513' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 514' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 515' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 516' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 517' ' ' HOH . . . . . 0.934 ' O ' H141 ' B' ' 501' ' ' P33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 518' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 519' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 520' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 521' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 522' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 523' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 524' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 525' ' ' HOH . . . . . 0.719 ' O ' ' O ' ' B' ' 76' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 526' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 527' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 528' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 529' ' ' HOH . . . . . 0.979 ' O ' ' O ' ' B' ' 77' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 530' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 531' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 532' ' ' HOH . . . . . 0.456 ' O ' ' NZ ' ' B' ' 117' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 533' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 534' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 535' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 536' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 537' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_