data_1ui6_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 1ui6 _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 ' 4' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.501 2.086 0 N-CA-C 114.018 1.118 . . . . 38.31 114.018 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 mp -22.21 -51.15 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 115.351 1.612 . . . . 36.34 115.351 164.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.1 ptt85 -56.6 -57.37 12.67 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 109.644 -0.502 . . . . 37.95 109.644 175.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.48 -50.45 67.75 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 119.585 -0.245 . . . . 27.04 110.378 -179.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -58.17 -37.68 75.19 Favored 'General case' 0 CA--C 1.503 -0.849 0 N-CA-C 108.186 -1.042 . . . . 25.63 108.186 -175.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -65.77 -19.58 65.94 Favored 'General case' 0 C--O 1.194 -1.834 0 N-CA-C 117.939 2.57 . . . . 34.18 117.939 179.352 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.9 p -82.2 -10.86 59.0 Favored 'General case' 0 C--O 1.197 -1.659 0 N-CA-C 114.678 1.362 . . . . 19.2 114.678 -178.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.3 ttt-85 -62.61 -43.15 99.54 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.321 -0.862 . . . . 20.77 111.96 -173.443 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.43 -40.47 94.55 Favored 'General case' 0 C--O 1.244 0.8 0 C-N-CA 118.738 -1.185 . . . . 13.14 111.456 178.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.4 m -60.94 -44.95 96.54 Favored 'General case' 0 C--O 1.21 -0.98 0 CA-C-N 116.022 -0.536 . . . . 15.29 111.622 179.405 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.1 mt -64.21 -41.11 91.41 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.761 0 O-C-N 124.279 0.987 . . . . 15.68 111.024 -178.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 36.3 mt -67.18 -48.39 78.7 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.11 0 N-CA-C 107.598 -1.26 . . . . 13.76 107.598 179.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.26 -49.77 66.24 Favored Glycine 0 C--O 1.248 1.028 0 C-N-CA 119.784 -1.198 . . . . 10.68 111.365 177.051 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.8 -47.2 85.58 Favored 'General case' 0 C--O 1.208 -1.123 0 C-N-CA 118.951 -1.1 . . . . 11.32 110.881 178.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.39 -33.01 74.3 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 117.846 -1.542 . . . . 14.1 110.109 -178.275 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.53 -51.77 67.22 Favored 'General case' 0 CA--C 1.501 -0.926 0 C-N-CA 119.118 -1.033 . . . . 17.95 109.451 179.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -54.99 -50.2 69.58 Favored 'General case' 0 CA--C 1.492 -1.283 0 N-CA-C 107.517 -1.29 . . . . 19.09 107.517 -175.205 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 50.0 mt -65.35 -38.89 91.48 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.554 0.946 . . . . 23.88 113.554 -177.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.3 m-30 -68.78 -42.88 76.81 Favored 'General case' 0 C--O 1.219 -0.538 0 N-CA-C 108.646 -0.872 . . . . 19.53 108.646 -178.331 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -61.18 -43.89 98.16 Favored 'General case' 0 CA--C 1.555 1.141 0 N-CA-C 114.461 1.282 . . . . 23.6 114.461 175.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -86.76 -47.6 8.96 Favored 'General case' 0 C--O 1.207 -1.171 0 O-C-N 120.512 -1.368 . . . . 36.21 111.823 -178.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 28.5 mtm180 -99.92 -8.58 23.81 Favored 'General case' 0 C--O 1.2 -1.515 0 N-CA-C 115.551 1.685 . . . . 35.56 115.551 -174.124 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.41 152.53 26.39 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 119.503 -1.332 . . . . 23.9 113.96 -177.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -65.26 -56.78 10.82 Favored 'General case' 0 C--O 1.209 -1.061 0 N-CA-C 115.55 1.685 . . . . 22.91 115.55 -179.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -60.02 -36.3 76.96 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 113.178 0.807 . . . . 36.71 113.178 -175.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.7 t -82.45 -1.51 50.42 Favored 'General case' 0 CA--C 1.557 1.233 0 N-CA-C 116.181 1.919 . . . . 24.12 116.181 -178.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' THR . . . . . 0.581 ' O ' ' NZ ' ' A' ' 53' ' ' LYS . 24.3 m -103.78 136.27 43.77 Favored 'General case' 0 CA--C 1.508 -0.654 0 O-C-N 121.347 -0.845 . . . . 21.57 111.086 179.456 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.9 p -110.33 164.92 12.2 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 113.664 0.987 . . . . 17.25 113.664 -179.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.5 mt -60.79 -38.74 86.34 Favored 'General case' 0 CA--C 1.488 -1.426 0 CA-C-N 115.742 -0.663 . . . . 15.92 109.334 176.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 62.8 m -65.12 -42.45 93.92 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 118.645 -1.222 . . . . 15.8 108.711 -179.773 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -60.4 -47.89 84.14 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 117.85 -1.54 . . . . 19.35 107.107 -176.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.6 mt -55.6 -45.28 78.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 114.791 1.404 . . . . 14.44 114.791 -177.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.39 -36.55 75.37 Favored 'Isoleucine or valine' 0 C--O 1.249 1.037 0 CA-C-N 116.204 -0.453 . . . . 13.62 111.203 -178.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.81 -39.6 79.97 Favored 'General case' 0 CA--C 1.575 1.93 0 C-N-CA 119.245 -0.982 . . . . 9.77 109.869 178.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -65.01 -40.85 95.53 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-O 121.783 0.801 . . . . 15.41 109.39 -179.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.14 -16.51 59.87 Favored 'General case' 0 N--CA 1.417 -2.086 0 CA-C-N 114.943 -1.026 . . . . 13.0 112.111 -176.058 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.59 26.78 66.72 Favored Glycine 0 C--O 1.209 -1.431 0 CA-C-N 118.587 0.631 . . . . 10.68 114.404 -178.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.8 m -122.08 177.04 3.91 Favored 'Isoleucine or valine' 0 C--O 1.177 -2.757 0 O-C-N 121.864 -0.786 . . . . 13.73 111.646 -178.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 66.6 p -90.8 166.49 13.07 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-O 121.886 0.851 . . . . 16.29 110.536 176.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -61.18 -38.3 85.99 Favored 'General case' 0 N--CA 1.433 -1.291 0 CA-C-N 115.095 -0.957 . . . . 27.22 109.01 175.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.57 -44.34 93.89 Favored Glycine 0 C--N 1.318 -0.45 0 N-CA-C 110.569 -1.012 . . . . 13.04 110.569 177.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.85 -35.18 77.51 Favored 'General case' 0 N--CA 1.417 -2.107 0 C-N-CA 118.829 -1.148 . . . . 10.25 107.925 -178.671 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.4 tt -74.03 -38.62 63.97 Favored 'General case' 0 C--O 1.261 1.697 0 C-N-CA 118.838 -1.145 . . . . 14.4 111.894 -176.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -73.55 -21.9 60.23 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 123.929 0.768 . . . . 18.29 110.309 -178.52 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -57.65 -34.73 69.65 Favored 'General case' 0 CA--C 1.59 2.499 0 N-CA-C 107.977 -1.12 . . . . 11.58 107.977 175.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' HIS . . . . . 0.555 ' ND1' ' O ' ' A' ' 245' ' ' HOH . 99.4 m-70 -108.02 -33.62 7.14 Favored 'General case' 0 CA--C 1.556 1.211 0 N-CA-C 114.919 1.451 . . . . 14.03 114.919 -174.141 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -137.6 124.4 21.19 Favored 'General case' 0 N--CA 1.432 -1.328 0 N-CA-C 111.958 0.355 . . . . 20.12 111.958 -177.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.18 -39.18 78.85 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 123.286 0.634 . . . . 16.71 112.695 176.317 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -144.6 169.98 16.95 Favored 'General case' 0 C--O 1.251 1.138 0 N-CA-C 114.512 1.301 . . . . 19.07 114.512 177.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LYS . . . . . 0.581 ' NZ ' ' O ' ' A' ' 30' ' ' THR . 56.1 tttt -48.45 -38.95 21.17 Favored 'General case' 0 CA--C 1.559 1.305 0 CA-C-N 113.421 -1.718 . . . . 22.9 111.256 177.638 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -62.97 -35.32 79.78 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-O 121.39 0.614 . . . . 51.09 109.949 -176.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -64.96 -36.9 85.87 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-O 118.285 -0.864 . . . . 31.94 110.697 -179.319 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.3 mt -61.9 -36.37 81.1 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.499 0.72 . . . . 29.17 110.925 172.749 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.35 -51.81 47.81 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.877 -1.056 . . . . 23.61 111.252 179.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -61.4 -41.12 96.64 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 119.122 -0.466 . . . . 34.08 110.5 179.106 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.73 -45.34 92.48 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.246 1.202 . . . . 22.4 114.246 174.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 74.8 mt -59.83 -46.97 93.13 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 CA-C-N 118.46 0.573 . . . . 23.05 110.106 174.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 47.8 mt -61.44 -37.72 84.56 Favored 'General case' 0 C--O 1.248 1.013 0 CA-C-O 121.265 0.555 . . . . 27.03 111.136 178.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.32 -45.09 94.65 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 115.6 -0.727 . . . . 43.02 111.216 176.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 20.0 mt -65.13 -38.94 83.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 113.415 0.894 . . . . 21.47 113.415 -178.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -63.15 -49.35 74.68 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-O 121.929 0.871 . . . . 28.18 108.93 178.101 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.5 t -58.51 -49.43 77.41 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.722 -0.672 . . . . 25.65 110.821 -178.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.4 mtm-85 -63.71 -36.54 84.19 Favored 'General case' 0 N--CA 1.435 -1.201 0 N-CA-C 112.653 0.612 . . . . 52.45 112.653 178.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.6 m -65.74 -49.84 66.95 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.513 -0.921 . . . . 23.49 108.513 -176.965 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 90.5 p -66.39 -36.47 82.92 Favored 'General case' 0 C--O 1.212 -0.919 0 C-N-CA 119.795 -0.762 . . . . 24.86 112.003 179.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -68.52 -32.59 72.65 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 121.499 -0.75 . . . . 47.69 110.52 178.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -70.2 -43.41 70.76 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 119.035 -1.066 . . . . 58.04 111.922 179.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 28.0 tp -66.23 -36.06 82.04 Favored 'General case' 0 CA--C 1.558 1.26 0 CA-C-O 121.888 0.851 . . . . 30.06 111.03 -178.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.55 -42.84 81.99 Favored 'General case' 0 CA--C 1.508 -0.672 0 O-C-N 121.676 -0.64 . . . . 25.24 110.002 179.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -66.87 -47.31 72.29 Favored 'General case' 0 N--CA 1.432 -1.368 0 CA-C-N 115.781 -0.645 . . . . 37.04 109.965 179.076 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -56.7 -44.64 81.75 Favored 'General case' 0 N--CA 1.441 -0.924 0 C-N-CA 119.523 -0.871 . . . . 28.69 110.74 -178.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 74.6 mt -72.59 -17.29 61.71 Favored 'General case' 0 C--O 1.202 -1.427 0 N-CA-C 114.054 1.131 . . . . 22.02 114.054 -176.027 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ASP . . . . . 0.673 ' OD1' ' C ' ' A' ' 76' ' ' ASP . 0.1 OUTLIER -92.05 0.38 57.47 Favored 'General case' 0 C--O 1.253 1.263 0 N-CA-C 114.204 1.187 . . . . 37.48 114.204 176.334 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -106.61 14.87 42.09 Favored Glycine 0 C--O 1.19 -2.608 0 CA-C-N 115.954 -0.566 . . . . 15.85 113.652 177.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.2 mtt180 -114.79 18.29 16.62 Favored 'General case' 0 C--N 1.313 -0.979 0 O-C-N 119.904 -1.939 . . . . 27.79 116.096 -174.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 76.9 20.44 76.1 Favored Glycine 0 N--CA 1.436 -1.357 0 CA-C-O 118.678 -1.068 . . . . 8.0 115.636 177.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' TYR . . . . . 0.424 ' OH ' ' O ' ' A' ' 222' ' ' HOH . 21.1 m-30 -84.42 155.77 22.11 Favored 'General case' 0 C--O 1.187 -2.192 0 CA-C-N 117.602 0.701 . . . . 14.71 111.004 -178.592 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 60.1 p -70.01 159.8 33.12 Favored 'General case' 0 C--O 1.205 -1.255 0 N-CA-C 106.575 -1.639 . . . . 6.23 106.575 168.661 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.1 m -60.85 -38.4 85.43 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 120.468 -1.395 . . . . 15.41 114.507 -178.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 63.8 tp -71.79 -33.77 68.86 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 117.509 -1.676 . . . . 7.92 109.427 -177.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -62.82 -47.34 83.84 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 121.374 -0.829 . . . . 18.38 108.867 176.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.08 -49.03 74.95 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 115.19 -0.914 . . . . 10.67 109.974 174.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.9 tp -61.39 -49.13 78.15 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 119.388 -0.925 . . . . 10.35 110.439 -177.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 65.0 mtp -53.81 -52.92 58.76 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 108.962 -0.755 . . . . 15.91 108.962 176.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 27.2 mtt180 -58.23 -32.99 68.84 Favored 'General case' 0 C--O 1.2 -1.517 0 C-N-CA 118.711 -1.196 . . . . 16.71 110.453 -175.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 60.8 tp -66.95 -41.1 87.49 Favored 'General case' 0 C--O 1.188 -2.182 0 CA-C-N 116.563 -0.29 . . . . 21.23 110.277 -177.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 45.3 p -65.19 -45.69 83.81 Favored 'General case' 0 C--O 1.251 1.182 0 C-N-CA 117.967 -1.493 . . . . 13.83 110.765 179.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -65.07 -36.57 84.74 Favored 'General case' 0 C--O 1.213 -0.847 0 C-N-CA 119.334 -0.946 . . . . 15.17 111.383 179.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -62.68 -49.31 74.3 Favored Glycine 0 C--O 1.25 1.098 0 CA-C-O 122.443 1.024 . . . . 18.42 112.012 179.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 16.8 mmm -57.88 -48.85 78.63 Favored 'General case' 0 N--CA 1.428 -1.541 0 C-N-CA 119.516 -0.874 . . . . 28.5 108.669 178.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.0 -37.71 66.93 Favored 'General case' 0 C--O 1.247 0.932 0 CA-C-N 116.075 -0.511 . . . . 20.73 111.711 179.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 -69.81 -41.48 74.96 Favored 'General case' 0 C--O 1.213 -0.854 0 C-N-CA 119.675 -0.81 . . . . 43.95 111.223 179.304 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 63.7 mt -68.99 -36.13 77.49 Favored 'General case' 0 C--N 1.313 -0.987 0 C-N-CA 118.186 -1.405 . . . . 27.12 109.973 179.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 82.9 m -67.43 -39.34 85.43 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 120.511 -0.475 . . . . 27.4 112.029 179.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 4.4 p -62.63 -19.54 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.037 0 C-N-CA 117.325 -1.75 . . . . 20.97 109.208 -178.755 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -124.2 9.8 8.64 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 114.926 1.454 . . . . 27.48 114.926 -176.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -129.5 98.51 0.44 Allowed Glycine 0 N--CA 1.439 -1.122 0 C-N-CA 120.594 -0.812 . . . . 17.12 112.179 -179.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -49.2 -39.8 42.48 Favored 'Trans proline' 0 C--O 1.209 -0.963 0 C-N-CA 123.182 2.588 . . . . 14.92 113.483 174.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 89.3 t -56.41 -48.5 79.87 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.158 0 CA-C-O 121.458 0.647 . . . . 15.21 111.051 -179.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 64.6 mt -63.92 -40.47 96.55 Favored 'General case' 0 C--O 1.21 -1.006 0 CA-C-N 116.164 -0.471 . . . . 20.99 110.79 179.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -62.43 -38.62 90.44 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.751 -1.203 . . . . 13.35 107.751 178.338 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.86 -39.92 79.6 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 119.57 -0.852 . . . . 10.55 109.89 -179.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -56.83 -52.68 49.43 Favored Glycine 0 N--CA 1.451 -0.303 0 N-CA-C 109.762 -1.335 . . . . 14.4 109.762 176.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 13.8 tp -50.96 -51.34 53.51 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 114.041 -1.079 . . . . 23.87 108.696 178.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -61.93 -39.49 92.22 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 119.002 -0.523 . . . . 28.46 111.41 -176.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.8 mp -65.63 -43.59 89.01 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 121.844 0.83 . . . . 24.98 111.003 178.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.51 -43.57 93.67 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.548 -0.751 . . . . 30.67 111.25 178.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 5.2 m -65.24 -29.31 70.09 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 116.257 -0.429 . . . . 33.36 111.675 178.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -88.7 -170.24 2.85 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 108.134 -1.062 . . . . 33.6 108.134 177.331 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -94.14 38.56 3.11 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 119.642 -1.266 . . . . 38.71 113.426 -178.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 81.9 t -86.17 105.44 7.47 Favored Pre-proline 0 C--N 1.32 -0.694 0 C-N-CA 120.138 -0.625 . . . . 41.5 111.539 -177.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -49.9 154.62 4.9 Favored 'Trans proline' 0 C--N 1.323 -0.81 0 C-N-CA 121.598 1.532 . . . . 42.67 113.537 -171.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 15.9 t -111.04 122.68 65.96 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 N-CA-C 107.958 -1.127 . . . . 45.4 107.958 175.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -70.73 118.47 65.24 Favored Pre-proline 0 N--CA 1.446 -0.649 0 CA-C-N 115.844 -0.616 . . . . 53.75 111.467 -179.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -59.07 151.42 66.42 Favored 'Trans proline' 0 CA--C 1.513 -0.528 0 C-N-CA 121.614 1.543 . . . . 46.02 111.869 177.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 0.5 OUTLIER -89.14 16.99 42.4 Favored 'Cis proline' 0 CA--C 1.506 -0.9 0 O-C-N 124.066 1.561 . . . . 44.09 113.998 5.629 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 20.8 tp -64.1 117.92 41.12 Favored Pre-proline 0 C--O 1.216 -0.701 0 N-CA-C 107.98 -1.118 . . . . 41.36 107.98 176.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -78.13 159.7 30.09 Favored 'Trans proline' 0 C--N 1.324 -0.748 0 CA-C-O 118.089 -0.879 . . . . 34.87 110.229 179.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -69.33 127.46 92.86 Favored Pre-proline 0 CA--C 1.493 -1.225 0 O-C-N 124.265 0.978 . . . . 29.39 108.809 179.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -50.6 -33.02 37.65 Favored 'Trans proline' 0 C--N 1.314 -1.258 0 C-N-CA 120.992 1.128 . . . . 27.59 113.292 -171.361 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -68.67 -36.59 78.73 Favored 'General case' 0 C--O 1.193 -1.907 0 C-N-CA 119.052 -1.059 . . . . 35.79 110.266 -177.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.4 p -71.87 -39.51 69.6 Favored 'General case' 0 C--O 1.193 -1.88 0 C-N-CA 117.795 -1.562 . . . . 28.22 107.308 179.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.33 -40.49 86.48 Favored 'General case' 0 C--O 1.199 -1.556 0 C-N-CA 119.931 -0.707 . . . . 29.14 110.965 172.021 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 35.9 m0 -70.07 -35.39 74.18 Favored 'General case' 0 C--O 1.198 -1.618 0 O-C-N 120.918 -1.114 . . . . 34.6 110.079 -179.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 58.6 mtt85 -64.73 -36.85 85.62 Favored 'General case' 0 C--O 1.249 1.064 0 N-CA-C 112.765 0.654 . . . . 38.71 112.765 173.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -66.42 -44.56 82.62 Favored 'General case' 0 N--CA 1.435 -1.181 0 C-N-CA 117.832 -1.547 . . . . 30.08 109.494 -177.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 57.0 mt -59.42 -54.23 37.28 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.38 0 O-C-N 124.057 0.848 . . . . 16.16 109.564 -179.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -57.01 -42.94 81.28 Favored 'General case' 0 N--CA 1.432 -1.34 0 CA-C-N 115.554 -0.748 . . . . 14.47 110.41 -177.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 16.7 m -62.62 -55.68 24.86 Favored 'General case' 0 C--O 1.208 -1.124 0 N-CA-C 113.086 0.773 . . . . 12.5 113.086 179.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.2 p -59.53 -39.33 83.56 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.222 -0.591 . . . . 18.99 111.017 -179.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -41.78 98.94 Favored 'General case' 0 C--O 1.197 -1.662 0 CA-C-O 122.431 1.11 . . . . 35.01 111.358 176.215 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 48.9 mt -67.51 -38.64 84.59 Favored 'General case' 0 C--N 1.309 -1.153 0 O-C-N 119.953 -1.717 . . . . 15.32 111.861 -179.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 79.0 mt -58.67 -46.76 86.49 Favored 'General case' 0 C--O 1.198 -1.648 0 N-CA-C 109.728 -0.471 . . . . 10.06 109.728 177.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -60.96 -41.49 96.45 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-N 116.528 -0.306 . . . . 24.74 110.334 179.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.43 -36.28 83.23 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 108.004 -1.11 . . . . 12.49 108.004 -177.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 19.0 t -65.15 -44.97 95.35 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.47 0 N-CA-C 107.048 -1.464 . . . . 16.03 107.048 178.335 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -60.61 -29.02 68.96 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 114.583 1.327 . . . . 41.54 114.583 -178.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' GLN . . . . . 0.462 ' O ' ' NH2' ' A' ' 197' ' ' ARG . 21.5 mt-30 -97.31 11.42 36.58 Favored 'General case' 0 C--O 1.199 -1.574 0 C-N-CA 125.714 1.605 . . . . 14.49 110.56 -179.257 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 19.8 m 63.22 18.85 11.29 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 115.314 1.598 . . . . 10.12 115.314 176.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -86.27 -12.8 48.55 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 118.508 -0.758 . . . . 11.12 112.937 175.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 55.4 t -136.26 134.22 49.96 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.677 0 C-N-CA 124.254 1.022 . . . . 11.91 108.425 178.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -46.69 140.79 4.25 Favored 'General case' 0 C--O 1.249 1.074 0 N-CA-C 113.579 0.955 . . . . 13.46 113.579 179.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -63.14 -28.74 70.26 Favored 'General case' 0 N--CA 1.438 -1.051 0 CA-C-N 113.417 -1.719 . . . . 35.05 110.677 -178.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.8 -7.14 58.52 Favored 'General case' 0 C--N 1.316 -0.891 0 O-C-N 121.231 -0.918 . . . . 35.46 112.455 -175.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 8.0 mm -62.19 138.45 22.47 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.681 0 C-N-CA 118.909 -1.117 . . . . 23.65 111.247 -179.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -87.52 97.05 10.63 Favored 'General case' 0 N--CA 1.428 -1.567 0 N-CA-C 107.139 -1.43 . . . . 30.19 107.139 174.279 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 151' ' ' ASP . 46.4 t -58.81 -49.2 83.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 122.29 1.043 . . . . 22.57 113.174 -176.079 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 150' ' ' VAL . 14.1 t70 -44.81 -54.03 6.81 Favored 'General case' 0 C--N 1.308 -1.204 0 C-N-CA 118.745 -1.182 . . . . 37.06 111.922 178.777 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 1.8 t -60.13 -45.58 92.52 Favored 'General case' 0 C--O 1.212 -0.895 0 O-C-N 123.447 0.467 . . . . 32.84 111.928 -175.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 31.9 t -65.46 -32.53 58.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 113.66 0.985 . . . . 31.06 113.66 176.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.55 -49.45 71.18 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 107.318 -1.364 . . . . 29.56 107.318 177.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -55.77 -42.8 76.03 Favored 'General case' 0 CA--C 1.5 -0.957 0 CA-C-N 114.927 -1.033 . . . . 38.9 112.581 -178.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 18.7 m -75.23 -43.78 49.82 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 114.848 -1.069 . . . . 31.89 108.703 -179.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 17.6 tp -56.11 -50.1 72.01 Favored 'General case' 0 C--O 1.203 -1.37 0 N-CA-C 109.956 -0.386 . . . . 30.38 109.956 -177.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 74.7 t -53.09 -55.4 12.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 120.18 -0.608 . . . . 31.11 110.109 178.158 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 53.5 t -53.71 -39.71 65.44 Favored 'General case' 0 C--O 1.207 -1.141 0 C-N-CA 120.467 -0.493 . . . . 30.44 111.268 175.779 -179.67 -87.241 -60.432 108.634 2.106 105.4 -70.622 -86.097 1 1 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 50.8 m -69.21 -35.36 76.12 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 114.881 1.437 . . . . 33.94 114.881 -176.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 46.2 t -72.72 -34.75 48.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.781 0.801 . . . . 37.36 110.991 -177.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 6.8 t . . . . . 0 C--N 1.319 -0.735 0 C-N-CA 120.274 -0.571 . . . . 41.08 109.796 177.836 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 120.415 0.15 . . . . 58.57 110.784 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 2.3 tt -65.86 -46.77 77.24 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 107.733 -1.21 . . . . 31.75 107.733 178.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -60.61 -36.8 79.46 Favored 'General case' 0 C--N 1.314 -0.945 0 O-C-N 121.662 -0.649 . . . . 21.8 111.818 177.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -71.34 -34.19 70.29 Favored 'General case' 0 CA--C 1.56 1.336 0 N-CA-C 107.718 -1.216 . . . . 19.31 107.718 -173.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 184' ' ' MET . . . . . . . . . . . . . 13.2 ttp -67.72 -45.83 73.93 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 108.378 -0.971 . . . . 30.69 108.378 174.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 185' ' ' TRP . . . . . . . . . . . . . 44.2 m95 -59.61 -39.32 83.87 Favored 'General case' 0 C--O 1.201 -1.475 0 O-C-N 123.804 0.69 . . . . 16.6 110.734 178.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 186' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -58.25 -44.26 88.22 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 119.75 -0.78 . . . . 23.88 110.08 179.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 21.3 mt -65.73 -47.44 85.93 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.121 0 N-CA-C 108.454 -0.943 . . . . 16.58 108.454 -177.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 84.8 mt -61.71 -35.32 77.7 Favored 'General case' 0 C--O 1.249 1.043 0 C-N-CA 118.349 -1.34 . . . . 17.38 109.96 179.003 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 32.2 mt -67.68 -47.73 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.186 0 C-N-CA 119.105 -1.038 . . . . 11.55 109.159 -174.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -59.23 -37.28 77.13 Favored 'General case' 0 CA--C 1.557 1.225 0 CA-C-O 121.388 0.613 . . . . 37.06 110.976 177.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -92.33 -10.36 60.85 Favored Glycine 0 C--O 1.202 -1.903 0 C-N-CA 118.49 -1.814 . . . . 11.65 117.367 -171.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 192' ' ' MET . . . . . . . . . . . . . 17.5 ptp -132.16 -11.25 3.29 Favored 'General case' 0 N--CA 1.439 -0.979 0 C-N-CA 118.229 -1.388 . . . . 24.68 113.554 -176.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 193' ' ' VAL . . . . . . . . . . . . . 58.5 t -102.66 129.51 25.76 Favored Pre-proline 0 CA--C 1.513 -0.445 0 C-N-CA 121.047 -0.261 . . . . 13.92 110.733 -176.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -54.98 143.05 74.8 Favored 'Trans proline' 0 C--O 1.281 2.667 0 O-C-N 123.03 1.016 . . . . 16.53 110.07 176.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 195' ' ' VAL . . . . . . . . . . . . . 2.1 t -41.34 -49.37 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.504 -0.8 0 CA-C-N 113.235 -1.802 . . . . 19.05 115.38 -178.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 196' ' ' THR . . . . . 0.438 ' O ' ' CG2' ' A' ' 196' ' ' THR . 54.4 m -69.28 -13.18 62.25 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 116.494 2.035 . . . . 20.61 116.494 -176.013 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 197' ' ' ARG . . . . . 0.462 ' NH2' ' O ' ' A' ' 141' ' ' GLN . 1.8 mmm180 -113.96 -0.35 14.13 Favored 'General case' 0 C--O 1.209 -1.057 0 O-C-N 122.078 -0.389 . . . . 25.93 110.458 -175.741 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 198' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -64.73 -50.72 65.77 Favored 'General case' 0 CA--C 1.489 -1.371 0 N-CA-C 112.349 0.499 . . . . 19.2 112.349 -175.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -53.46 -43.44 68.1 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 124.266 0.979 . . . . 12.79 113.577 -172.112 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -59.24 -37.81 78.48 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 119.844 -0.742 . . . . 28.02 109.085 179.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -78.68 -40.5 33.72 Favored 'General case' 0 C--O 1.26 1.656 0 N-CA-C 114.042 1.127 . . . . 10.87 114.042 -177.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' VAL . . . . . . . . . . . . . 47.0 t -58.54 -42.51 84.79 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.826 0 N-CA-C 107.873 -1.158 . . . . 12.08 107.873 174.226 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 31.8 m -60.82 -45.93 92.52 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 108.443 -0.947 . . . . 14.93 108.443 -178.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 34.2 tp -66.92 -41.42 87.1 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.95 -0.7 . . . . 17.86 112.207 -175.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -57.35 -38.96 74.96 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 119.092 -0.48 . . . . 10.55 110.392 176.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.31 -44.03 80.19 Favored 'General case' 0 C--O 1.189 -2.093 0 O-C-N 124.588 1.18 . . . . 11.93 112.032 178.275 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -65.32 -39.84 92.96 Favored 'General case' 0 C--N 1.312 -1.03 0 C-N-CA 122.712 0.405 . . . . 32.83 111.622 179.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' LEU . . . . . 0.484 ' O ' ' CG2' ' A' ' 212' ' ' THR . 87.5 mt -70.82 -39.63 72.94 Favored 'General case' 0 C--O 1.176 -2.768 0 N-CA-C 108.431 -0.951 . . . . 17.98 108.431 178.989 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -36.89 85.34 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 120.116 -1.615 . . . . 37.11 108.509 176.111 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -70.4 -32.47 70.13 Favored 'General case' 0 CA--C 1.51 -0.581 0 N-CA-C 109.431 -0.581 . . . . 28.33 109.431 -177.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -86.35 -5.81 59.09 Favored 'General case' 0 CA--C 1.505 -0.775 0 N-CA-C 113.878 1.066 . . . . 34.6 113.878 -177.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' THR . . . . . 0.484 ' CG2' ' O ' ' A' ' 208' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.815 0 CA-C-O 127.132 3.349 . . . . 39.35 114.61 179.631 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ARG . . . . . 0.574 ' N ' ' O ' ' B' ' 241' ' ' HOH . 35.0 ttp180 . . . . . 0 N--CA 1.486 1.345 0 N-CA-C 108.388 -0.967 . . . . 43.62 108.388 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -34.69 -61.11 0.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 114.429 1.27 . . . . 19.76 114.429 169.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -59.93 -38.99 83.97 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 112.814 0.672 . . . . 33.79 112.814 -178.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -62.95 -41.17 99.43 Favored 'General case' 0 C--O 1.226 -0.166 0 O-C-N 122.884 0.115 . . . . 25.71 110.749 177.537 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 16.9 m -62.52 -46.8 86.75 Favored 'General case' 0 C--O 1.246 0.884 0 O-C-N 124.329 1.018 . . . . 13.74 108.7 175.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 68.8 ttt-85 -52.83 -50.82 62.94 Favored 'General case' 0 C--O 1.235 0.324 0 O-C-N 123.854 0.721 . . . . 23.02 111.541 178.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.89 -37.29 86.33 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.234 1.414 . . . . 10.41 111.691 -176.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 1.4 m -71.28 -32.68 68.96 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.004 0.43 . . . . 10.54 109.884 -179.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 59.9 mt -67.88 -45.05 84.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 N-CA-C 105.745 -1.946 . . . . 9.7 105.745 176.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 9.4 mt -57.49 -46.97 85.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 C-N-CA 119.766 -0.773 . . . . 10.97 110.731 -179.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.51 -40.22 98.83 Favored Glycine 0 C--O 1.25 1.118 0 CA-C-N 114.905 -1.043 . . . . 10.67 111.344 -178.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.36 -46.58 69.71 Favored 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 108.566 -0.901 . . . . 12.02 108.566 -178.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.4 -40.25 86.02 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 118.853 -1.139 . . . . 13.18 110.547 179.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.75 -45.58 92.03 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.785 -0.643 . . . . 13.52 112.413 -177.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -63.28 -34.56 77.96 Favored 'General case' 0 N--CA 1.434 -1.238 0 CA-C-N 115.326 -0.852 . . . . 17.89 109.711 -179.078 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 36.2 mt -79.94 -44.0 21.1 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 120.437 -0.505 . . . . 16.67 110.835 -177.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -60.47 -31.14 70.17 Favored 'General case' 0 C--O 1.248 0.983 0 C-N-CA 118.874 -1.131 . . . . 12.24 110.424 176.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -74.89 -44.05 51.0 Favored 'General case' 0 C--O 1.2 -1.511 0 C-N-CA 119.53 -0.868 . . . . 12.73 111.949 -176.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 47.4 mtm105 -85.83 -30.78 22.69 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 112.72 0.637 . . . . 15.39 112.72 -176.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -120.9 -5.28 9.61 Favored 'General case' 0 CA--C 1.499 -1.017 0 N-CA-C 115.92 1.822 . . . . 45.3 115.92 -172.799 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.13 152.99 29.86 Favored Glycine 0 C--N 1.315 -0.584 0 C-N-CA 121.402 -0.427 . . . . 11.63 112.503 177.755 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -65.3 -53.74 39.51 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.997 1.11 . . . . 19.8 113.997 -178.181 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.88 -45.37 94.82 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 115.857 1.799 . . . . 28.86 115.857 -174.066 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.83 -13.5 60.57 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 113.326 0.861 . . . . 16.62 113.326 -179.056 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' THR . . . . . 0.537 ' O ' ' NZ ' ' B' ' 53' ' ' LYS . 34.1 m -83.92 132.04 34.81 Favored 'General case' 0 C--O 1.205 -1.244 0 CA-C-O 122.492 1.139 . . . . 13.74 113.663 177.704 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 4.4 t -104.62 152.21 22.73 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-O 121.726 0.774 . . . . 19.28 112.327 -177.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 77.7 mt -57.39 -35.38 69.93 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 115.504 -0.771 . . . . 17.67 109.89 174.295 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 71.7 m -64.49 -38.61 91.61 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 119.226 0.921 . . . . 15.39 111.246 179.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -60.71 -51.39 69.58 Favored 'General case' 0 N--CA 1.433 -1.293 0 CA-C-N 115.75 -0.659 . . . . 23.94 110.732 174.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 72.1 mt -54.87 -45.12 75.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 O-C-N 124.425 1.078 . . . . 9.88 110.4 178.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 24.6 t -56.63 -52.95 47.36 Favored 'Isoleucine or valine' 0 C--O 1.257 1.474 0 N-CA-C 113.161 0.8 . . . . 12.74 113.161 -179.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.9 -49.13 73.88 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 123.2 0.313 . . . . 10.16 111.349 -179.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 25.0 t60 -51.94 -40.28 60.55 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 114.067 1.136 . . . . 14.78 114.067 176.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.31 -13.23 59.78 Favored 'General case' 0 CA--C 1.567 1.632 0 N-CA-C 116.199 1.926 . . . . 11.16 116.199 177.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.15 26.08 74.75 Favored Glycine 0 C--O 1.185 -2.944 0 N-CA-C 115.895 1.118 . . . . 10.92 115.895 -176.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 14.6 m -113.86 -177.53 0.92 Allowed 'Isoleucine or valine' 0 C--O 1.162 -3.516 0 N-CA-C 116.256 1.947 . . . . 10.63 116.256 178.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 29.3 p -91.62 155.33 18.42 Favored 'General case' 0 C--O 1.257 1.448 0 O-C-N 119.574 -1.954 . . . . 12.57 111.732 174.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -51.74 -42.75 62.56 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 119.084 -1.046 . . . . 22.23 108.4 172.541 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.63 -45.38 85.03 Favored Glycine 0 N--CA 1.441 -0.997 0 O-C-N 121.215 -0.928 . . . . 14.28 112.543 -179.755 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.79 -39.7 92.61 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 120.742 -0.383 . . . . 17.05 110.886 178.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 6.0 tt -67.19 -43.21 82.73 Favored 'General case' 0 C--N 1.316 -0.861 0 C-N-CA 118.466 -1.294 . . . . 20.24 109.988 179.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -72.25 -17.09 61.93 Favored 'General case' 0 C--O 1.201 -1.48 0 C-N-CA 116.401 -2.119 . . . . 12.58 111.37 -179.034 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -67.78 -38.63 83.61 Favored 'General case' 0 C--O 1.202 -1.407 0 C-N-CA 118.468 -1.293 . . . . 15.02 111.431 173.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -90.49 -21.27 21.92 Favored 'General case' 0 C--O 1.214 -0.809 0 N-CA-C 116.802 2.149 . . . . 12.25 116.802 -178.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -151.26 120.21 6.66 Favored 'General case' 0 C--O 1.205 -1.247 0 N-CA-C 108.976 -0.75 . . . . 12.73 108.976 -173.139 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.1 -28.68 48.72 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-O 122.121 0.962 . . . . 12.06 108.887 -172.749 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -147.3 165.42 30.17 Favored 'General case' 0 C--O 1.186 -2.238 0 CA-C-N 115.078 -0.965 . . . . 14.85 111.468 -176.101 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' LYS . . . . . 0.537 ' NZ ' ' O ' ' B' ' 30' ' ' THR . 58.7 tttt -58.97 -33.1 70.28 Favored 'General case' 0 C--O 1.202 -1.423 0 O-C-N 124.821 1.325 . . . . 21.31 110.673 179.871 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' GLU . . . . . 0.795 ' CG ' ' O ' ' B' ' 237' ' ' HOH . 0.9 OUTLIER -68.89 -30.94 69.54 Favored 'General case' 0 N--CA 1.486 1.375 0 CA-C-O 121.298 0.571 . . . . 50.47 110.501 177.513 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -65.41 -29.04 69.69 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 120.653 -1.279 . . . . 35.61 110.756 175.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 17.6 mt -68.47 -40.59 80.93 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 120.001 -0.68 . . . . 29.4 111.996 175.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.95 -47.75 83.48 Favored 'General case' 0 CA--C 1.49 -1.351 0 C-N-CA 124.711 1.204 . . . . 28.37 108.875 177.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -60.2 -47.09 87.43 Favored 'General case' 0 C--O 1.259 1.555 0 O-C-N 123.815 0.697 . . . . 32.65 112.117 -178.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.08 -37.8 88.66 Favored 'General case' 0 C--O 1.206 -1.22 0 C-N-CA 119.818 -0.753 . . . . 24.03 110.269 179.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 46.4 mt -62.19 -52.0 65.59 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.585 0 O-C-N 121.023 -1.048 . . . . 23.62 108.757 177.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 25.5 mt -57.73 -36.24 71.78 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.423 0.63 . . . . 33.71 110.539 178.456 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -64.71 -41.6 95.87 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 117.985 -1.486 . . . . 47.62 107.752 -179.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 63.4 mt -65.49 -42.62 93.67 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.552 0 N-CA-C 109.104 -0.702 . . . . 37.12 109.104 -178.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -56.12 -56.76 16.96 Favored 'General case' 0 C--N 1.307 -1.255 0 O-C-N 121.981 -0.45 . . . . 43.31 112.09 179.167 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 15.4 t -61.66 -35.92 79.33 Favored 'General case' 0 N--CA 1.461 0.114 0 C-N-CA 121.149 -0.22 . . . . 41.82 111.171 -177.356 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 22.8 ttt180 -75.39 -30.05 60.02 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.618 0.97 . . . . 67.53 113.618 -177.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 2.5 m -69.6 -47.64 62.83 Favored 'General case' 0 C--O 1.208 -1.122 0 N-CA-C 106.91 -1.515 . . . . 48.95 106.91 175.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 30.3 t -53.8 -53.35 53.58 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.198 -0.91 . . . . 53.78 112.758 178.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -64.13 -30.44 71.5 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-O 122.115 0.96 . . . . 70.11 110.935 -178.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' ARG . . . . . 0.762 ' O ' ' OD1' ' B' ' 74' ' ' ASP . 72.9 ttt180 -72.71 -44.21 62.01 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 113.549 0.944 . . . . 70.95 113.549 -179.16 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 24.8 tp -61.3 -40.32 93.72 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 108.679 -0.859 . . . . 53.3 108.679 -179.831 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.37 -38.8 88.28 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-N 114.34 -1.3 . . . . 52.23 108.587 176.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -77.22 -31.29 55.08 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 112.907 0.706 . . . . 63.95 112.907 -179.139 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' ASP . . . . . 0.762 ' OD1' ' O ' ' B' ' 70' ' ' ARG . 1.5 m-20 -67.36 -32.49 73.46 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 118.617 -1.233 . . . . 50.81 109.175 177.304 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 80.8 mt -82.0 -27.85 32.91 Favored 'General case' 0 N--CA 1.445 -0.679 0 O-C-N 122.017 -0.427 . . . . 44.15 111.196 -170.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -64.8 -24.12 67.45 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.569 1.322 . . . . 43.95 114.569 -176.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -107.66 42.17 2.01 Favored Glycine 0 CA--C 1.497 -1.084 0 C-N-CA 119.504 -1.332 . . . . 35.19 113.452 -176.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 12.0 mtt-85 -126.95 17.44 7.29 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 112.354 0.501 . . . . 40.21 112.354 -177.671 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.24 22.81 51.41 Favored Glycine 0 C--O 1.221 -0.699 0 N-CA-C 116.207 1.243 . . . . 25.35 116.207 179.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -76.61 162.96 27.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 118.418 1.109 . . . . 20.72 111.446 174.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 19.7 p -79.12 155.34 28.76 Favored 'General case' 0 C--O 1.186 -2.289 0 N-CA-C 103.26 -2.867 . . . . 18.49 103.26 174.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 20.7 m -58.31 -36.43 73.34 Favored 'General case' 0 N--CA 1.432 -1.372 0 N-CA-C 113.557 0.947 . . . . 17.77 113.557 179.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 39.5 tp -70.21 -34.8 73.34 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 106.49 -1.67 . . . . 18.81 106.49 -175.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -65.68 -43.71 88.43 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 113.48 0.919 . . . . 22.64 113.48 177.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.45 -50.48 73.39 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-N 114.496 -1.229 . . . . 14.45 109.327 177.259 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 63.8 tp -58.0 -52.02 67.24 Favored 'General case' 0 N--CA 1.433 -1.313 0 C-N-CA 118.808 -1.157 . . . . 15.41 110.033 -179.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 18.7 ttm -55.87 -43.41 77.11 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 122.057 -0.402 . . . . 18.75 110.307 177.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 78.6 mtt-85 -65.77 -33.02 74.89 Favored 'General case' 0 C--O 1.216 -0.693 0 C-N-CA 116.908 -1.917 . . . . 16.19 111.602 -178.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 29.6 tp -67.13 -44.29 80.25 Favored 'General case' 0 CA--C 1.502 -0.882 0 CA-C-N 115.194 -0.912 . . . . 22.28 108.958 -176.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' THR . . . . . . . . . . . . . 64.0 p -62.39 -45.6 92.41 Favored 'General case' 0 C--O 1.218 -0.602 0 C-N-CA 118.902 -1.119 . . . . 16.6 110.624 -179.127 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -65.71 -30.47 71.15 Favored 'General case' 0 C--O 1.187 -2.235 0 C-N-CA 119.351 -0.94 . . . . 12.77 111.878 178.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.97 -49.13 64.26 Favored Glycine 0 CA--C 1.529 0.938 0 CA-C-O 124.088 1.938 . . . . 15.13 109.293 176.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 79.3 mmm -58.98 -45.78 89.73 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.529 -0.983 . . . . 26.45 108.548 -179.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.26 -48.23 76.97 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 124.12 0.887 . . . . 16.11 108.969 -179.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 51.7 ttt85 -60.26 -40.33 89.97 Favored 'General case' 0 CA--C 1.548 0.877 0 O-C-N 123.427 0.454 . . . . 22.55 111.102 179.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -38.14 84.05 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 119.173 -1.011 . . . . 27.28 111.735 -178.039 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' CYS . . . . . 0.424 ' SG ' ' CD2' ' B' ' 103' ' ' LEU . 88.1 m -62.29 -32.27 72.98 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 114.248 1.203 . . . . 31.36 114.248 179.396 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 89.7 t -82.67 -10.21 11.91 Favored 'Isoleucine or valine' 0 C--O 1.191 -1.991 0 C-N-CA 119.843 -0.743 . . . . 25.14 111.61 178.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -89.54 -60.95 1.81 Allowed 'General case' 0 C--O 1.207 -1.161 0 N-CA-C 118.587 2.81 . . . . 32.98 118.587 -175.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . -117.77 169.9 13.41 Favored Glycine 0 C--O 1.2 -2.003 0 N-CA-C 107.575 -2.21 . . . . 23.74 107.575 174.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -85.52 -10.2 7.67 Favored 'Trans proline' 0 C--N 1.316 -1.16 0 N-CA-C 118.383 2.417 . . . . 22.55 118.383 179.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 66.1 t -59.48 -44.63 93.3 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.22 0 N-CA-C 114.497 1.295 . . . . 21.91 114.497 -176.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' LEU . . . . . 0.424 ' CD2' ' SG ' ' B' ' 97' ' ' CYS . 2.7 tt -68.41 -42.5 78.89 Favored 'General case' 0 C--N 1.312 -1.043 0 O-C-N 121.156 -0.965 . . . . 28.3 109.049 179.484 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -53.75 -42.76 68.54 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 115.674 -0.694 . . . . 19.79 109.226 173.896 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.23 -39.03 68.79 Favored 'General case' 0 C--O 1.25 1.128 0 CA-C-O 122.139 0.971 . . . . 15.5 110.039 -176.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . -51.11 -56.06 16.14 Favored Glycine 0 C--O 1.194 -2.349 0 CA-C-N 113.686 -1.597 . . . . 17.14 110.044 177.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.55 -57.46 12.26 Favored 'General case' 0 CA--C 1.502 -0.893 0 C-N-CA 123.351 0.66 . . . . 24.95 109.936 177.856 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -49.39 -39.16 31.3 Favored 'General case' 0 N--CA 1.439 -1.017 0 CA-C-N 115.546 -0.752 . . . . 41.93 111.374 179.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 89.2 mt -68.56 -48.15 64.99 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.055 0.455 . . . . 28.03 110.838 177.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.65 -48.48 77.47 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-O 121.423 0.63 . . . . 31.23 110.199 -178.73 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 3.4 m -69.41 -26.03 64.43 Favored 'General case' 0 CA--C 1.512 -0.502 0 C-N-CA 124.939 1.296 . . . . 36.08 113.361 -178.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -72.54 -19.12 61.56 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.07 -1.085 . . . . 38.48 108.07 179.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 96.41 13.74 47.08 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.405 -0.903 . . . . 38.52 114.366 -178.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 56.0 t -68.39 133.85 91.09 Favored Pre-proline 0 N--CA 1.471 0.607 0 N-CA-C 107.665 -1.235 . . . . 39.0 107.665 177.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -76.46 139.91 21.07 Favored 'Trans proline' 0 CA--C 1.504 -0.984 0 C-N-CA 121.679 1.586 . . . . 38.8 112.403 -178.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' VAL . . . . . 0.415 ' O ' ' CG2' ' B' ' 116' ' ' VAL . 5.0 m -93.24 123.61 45.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.025 0.828 . . . . 40.74 109.19 -179.968 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -76.04 119.04 75.45 Favored Pre-proline 0 C--O 1.214 -0.805 0 N-CA-C 109.326 -0.62 . . . . 42.98 109.326 -176.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -54.65 164.39 3.16 Favored 'Trans proline' 0 CA--C 1.511 -0.675 0 C-N-CA 121.421 1.414 . . . . 45.04 109.705 176.724 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -79.49 3.86 33.5 Favored 'Cis proline' 0 C--N 1.328 -0.501 0 C-N-CA 123.349 -1.521 . . . . 45.49 113.905 1.163 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.29 132.85 95.46 Favored Pre-proline 0 C--N 1.321 -0.653 0 C-N-CA 120.36 -0.536 . . . . 50.13 111.041 178.741 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -82.66 160.28 16.6 Favored 'Trans proline' 0 C--N 1.326 -0.62 0 C-N-CA 121.057 1.172 . . . . 40.92 111.765 -179.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -70.53 125.93 92.13 Favored Pre-proline 0 CA--C 1.544 0.713 0 CA-C-N 115.2 -0.909 . . . . 35.27 110.945 179.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -42.58 -55.11 2.81 Favored 'Trans proline' 0 C--O 1.238 0.486 0 C-N-CA 122.526 2.151 . . . . 33.31 113.224 -173.896 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -50.78 -46.69 59.69 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 109.485 -0.561 . . . . 41.15 109.485 177.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 125' ' ' THR . . . . . . . . . . . . . 35.8 m -60.77 -42.27 97.15 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 109.41 -0.589 . . . . 31.5 109.41 -178.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -62.12 -50.11 73.2 Favored 'General case' 0 CA--C 1.499 -0.995 0 CA-C-N 115.974 -0.557 . . . . 35.75 111.763 178.871 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 127' ' ' TRP . . . . . . . . . . . . . 44.9 m0 -63.31 -37.41 87.16 Favored 'General case' 0 C--O 1.196 -1.726 0 CA-C-N 115.173 -0.921 . . . . 30.89 109.296 -175.001 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -67.56 -40.51 84.95 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 113.035 0.754 . . . . 43.79 113.035 179.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -68.09 -43.53 78.29 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.77 0.795 . . . . 40.39 111.555 -179.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 130' ' ' ILE . . . . . . . . . . . . . 49.4 mt -62.34 -45.56 98.49 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.442 0 N-CA-C 108.437 -0.949 . . . . 27.51 108.437 -179.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -64.14 -47.03 81.49 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 119.815 -0.754 . . . . 23.05 111.483 -179.495 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 21.7 m -60.32 -47.79 84.52 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-N 114.987 -1.006 . . . . 24.28 112.111 -179.396 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 88.9 p -62.46 -41.49 98.8 Favored 'General case' 0 CA--C 1.497 -1.088 0 C-N-CA 118.969 -1.092 . . . . 21.71 111.157 -179.493 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 37.8 mtt85 -66.21 -38.87 89.0 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 119.878 -0.729 . . . . 37.03 112.475 176.417 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 50.7 mt -63.15 -41.23 99.24 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 118.781 -1.168 . . . . 22.58 111.711 176.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 51.1 mt -60.66 -37.49 81.75 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 112.478 0.547 . . . . 19.54 112.478 175.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 137' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -68.12 -34.52 76.51 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 108.276 -1.009 . . . . 31.34 108.276 177.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.83 -39.55 94.49 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 121.108 -0.237 . . . . 22.43 111.634 -177.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 139' ' ' VAL . . . . . . . . . . . . . 22.3 t -64.5 -47.98 86.96 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.717 0 CA-C-O 122.204 1.002 . . . . 23.05 109.359 177.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 12.2 ttp-105 -57.57 -38.56 75.01 Favored 'General case' 0 C--O 1.208 -1.095 0 N-CA-C 108.066 -1.087 . . . . 33.56 108.066 178.138 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 141' ' ' GLN . . . . . 0.577 ' NE2' ' O ' ' B' ' 218' ' ' HOH . 25.9 mt-30 -79.7 -0.76 35.42 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.15 1.167 . . . . 29.26 114.15 -179.903 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 13.0 m 69.94 16.74 7.62 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 116.078 1.881 . . . . 21.6 116.078 179.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -85.17 -10.74 56.35 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.715 1.006 . . . . 23.82 113.715 174.141 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 92.4 t -137.62 140.03 42.16 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.534 0 N-CA-C 107.63 -1.248 . . . . 24.99 107.63 179.014 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 145' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -61.2 141.71 57.3 Favored 'General case' 0 CA--C 1.493 -1.225 0 C-N-CA 123.039 0.535 . . . . 30.39 111.958 -174.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -59.94 -29.46 68.41 Favored 'General case' 0 C--O 1.209 -1.068 0 O-C-N 124.33 1.019 . . . . 39.07 113.262 -177.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -94.0 16.86 13.45 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 115.836 1.791 . . . . 31.15 115.836 -177.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 148' ' ' ILE . . . . . . . . . . . . . 24.6 mm -72.04 149.55 9.14 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.973 0 O-C-N 121.193 -0.942 . . . . 34.76 110.627 174.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 149' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -91.27 95.65 10.14 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.653 -1.24 . . . . 31.84 107.653 174.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 150' ' ' VAL . . . . . . . . . . . . . 19.2 m -56.62 -37.34 51.95 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 113.85 1.055 . . . . 27.15 113.85 -173.021 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.53 -48.61 80.98 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 116.227 -0.442 . . . . 31.52 110.435 -178.228 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 24.7 m -61.21 -39.99 92.3 Favored 'General case' 0 C--O 1.209 -1.073 0 O-C-N 123.709 0.631 . . . . 22.34 109.899 179.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 76.8 t -67.9 -40.61 83.77 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.139 0 C-N-CA 119.283 -0.967 . . . . 19.59 110.606 -179.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.09 -44.42 95.77 Favored 'General case' 0 CA--C 1.508 -0.663 0 N-CA-C 107.57 -1.27 . . . . 19.09 107.57 -177.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 155' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -58.39 -45.77 87.67 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 114.366 -1.288 . . . . 26.36 111.591 -179.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 156' ' ' THR . . . . . . . . . . . . . 7.4 m -59.39 -42.57 92.01 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 116.235 -0.439 . . . . 25.02 111.439 179.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 157' ' ' LEU . . . . . . . . . . . . . 12.5 mt -60.86 -47.32 86.92 Favored 'General case' 0 N--CA 1.426 -1.644 0 CA-C-N 115.362 -0.836 . . . . 23.37 110.156 -178.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 158' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.37 -49.6 80.19 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.509 0 N-CA-C 107.186 -1.413 . . . . 24.74 107.186 -176.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 159' ' ' CYS . . . . . . . . . . . . . 5.2 m -61.13 -27.88 68.71 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 114.212 1.19 . . . . 25.5 114.212 177.151 -86.097 -70.622 -60.432 105.4 2.106 108.634 -87.241 -179.67 1 1 . 1 . 001 ecloud orig full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 59.8 p -70.24 -20.62 63.06 Favored 'General case' 0 C--O 1.206 -1.222 0 C-N-CA 115.967 -2.293 . . . . 29.7 110.737 -179.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 161' ' ' VAL . . . . . . . . . . . . . 76.4 t -93.16 -46.99 13.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 N-CA-C 112.582 0.586 . . . . 32.6 112.582 177.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 162' ' ' VAL . . . . . . . . . . . . . 49.7 t . . . . . 0 C--O 1.238 0.481 0 N-CA-C 112.099 0.407 . . . . 34.83 112.099 177.169 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 176' ' ' ARG . . . . . 0.614 ' N ' ' NH1' ' B' ' 180' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.519 -0.242 0 N-CA-C 109.512 -0.551 . . . . 54.53 109.512 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 177' ' ' GLU . . . . . 0.431 ' N ' ' CD ' ' B' ' 178' ' ' PRO . 2.2 mt-10 -131.45 -39.2 0.03 OUTLIER Pre-proline 0 C--N 1.315 -0.918 0 N-CA-C 113.784 1.031 . . . . 38.46 113.784 -177.632 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 178' ' ' PRO . . . . . 0.431 ' CD ' ' N ' ' B' ' 177' ' ' GLU . 51.9 Cg_endo -67.14 -37.61 18.13 Favored 'Trans proline' 0 C--N 1.324 -0.72 0 N-CA-C 110.565 -0.59 . . . . 34.07 110.565 176.569 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 179' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -61.35 -40.95 96.15 Favored 'General case' 0 C--O 1.204 -1.341 0 C-N-CA 119.827 -0.749 . . . . 50.22 110.846 177.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 180' ' ' ARG . . . . . 0.614 ' NH1' ' N ' ' B' ' 176' ' ' ARG . 80.2 mtt85 -73.21 -34.34 65.87 Favored 'General case' 0 CA--C 1.494 -1.18 0 CA-C-N 116.475 -0.33 . . . . 49.83 111.023 -176.105 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 181' ' ' LEU . . . . . . . . . . . . . 39.5 tp -73.26 -36.05 66.32 Favored 'General case' 0 CA--C 1.556 1.188 0 N-CA-C 108.468 -0.938 . . . . 22.76 108.468 -178.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 182' ' ' ALA . . . . . . . . . . . . . . . -69.18 -49.61 55.12 Favored 'General case' 0 N--CA 1.436 -1.15 0 CA-C-N 115.571 -0.74 . . . . 17.41 110.017 179.331 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 183' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -50.96 -46.41 61.15 Favored 'General case' 0 C--O 1.218 -0.585 0 O-C-N 123.956 0.785 . . . . 20.38 112.272 177.606 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 184' ' ' MET . . . . . . . . . . . . . 38.3 mmm -68.62 -31.36 70.47 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.595 -0.73 . . . . 26.22 112.142 178.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 185' ' ' TRP . . . . . . . . . . . . . 18.8 m95 -67.29 -37.06 82.78 Favored 'General case' 0 CA--C 1.498 -1.035 0 N-CA-C 113.319 0.859 . . . . 12.3 113.319 178.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 186' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -65.4 -44.47 87.36 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-O 122.84 1.305 . . . . 15.32 108.39 179.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 187' ' ' ILE . . . . . . . . . . . . . 61.6 mt -60.67 -44.72 97.67 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.93 0 CA-C-N 114.879 -1.055 . . . . 14.04 109.599 -178.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 188' ' ' LEU . . . . . . . . . . . . . 92.7 mt -65.53 -43.78 88.93 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 111.64 0.237 . . . . 16.35 111.64 179.15 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 189' ' ' ILE . . . . . . . . . . . . . 67.6 mt -55.58 -50.2 68.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 O-C-N 124.347 1.03 . . . . 14.61 111.103 178.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 190' ' ' ARG . . . . . . . . . . . . . 74.4 mtm-85 -57.65 -39.83 77.89 Favored 'General case' 0 C--O 1.21 -0.996 0 CA-C-O 120.804 0.335 . . . . 27.44 110.822 176.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 191' ' ' GLY . . . . . . . . . . . . . . . -89.15 -9.66 67.17 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 121.398 3.319 . . . . 23.99 121.398 -177.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 192' ' ' MET . . . . . . . . . . . . . 19.7 ptt? -135.65 -14.06 1.93 Allowed 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 116.098 1.888 . . . . 22.25 116.098 -177.16 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 193' ' ' VAL . . . . . . . . . . . . . 74.3 t -103.1 137.6 19.31 Favored Pre-proline 0 CA--C 1.511 -0.535 0 O-C-N 122.081 -0.387 . . . . 24.56 110.352 -177.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -60.0 142.66 98.92 Favored 'Trans proline' 0 C--N 1.325 -0.662 0 C-N-CA 121.336 1.358 . . . . 26.39 111.129 179.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 195' ' ' VAL . . . . . . . . . . . . . 60.0 t -45.32 -45.5 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 O-C-N 124.487 1.117 . . . . 26.93 111.839 -176.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 11.9 t -68.38 -14.61 63.12 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 115.87 1.804 . . . . 25.87 115.87 -173.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 197' ' ' ARG . . . . . . . . . . . . . 50.0 mtt180 -116.66 0.23 12.56 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 115.924 -0.58 . . . . 30.13 112.391 -178.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 22.5 mtt180 -62.51 -51.26 68.1 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 115.87 1.804 . . . . 30.04 115.87 -179.339 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 199' ' ' ALA . . . . . . . . . . . . . . . -54.63 -35.59 63.6 Favored 'General case' 0 N--CA 1.504 2.245 0 CA-C-N 118.639 0.654 . . . . 16.6 111.953 -172.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 32.0 ttt180 -63.16 -39.97 96.18 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 117.248 -1.781 . . . . 36.66 109.474 -177.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -76.57 -36.22 57.72 Favored 'General case' 0 C--O 1.268 2.069 0 N-CA-C 115.115 1.524 . . . . 17.06 115.115 -179.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' VAL . . . . . . . . . . . . . 37.7 t -59.25 -49.04 84.89 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.385 0 N-CA-C 108.258 -1.016 . . . . 9.72 108.258 175.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' THR . . . . . . . . . . . . . 37.8 p -65.84 -34.57 78.44 Favored 'General case' 0 N--CA 1.42 -1.955 0 C-N-CA 119.393 -0.923 . . . . 15.42 110.88 -179.393 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' LEU . . . . . . . . . . . . . 49.1 tp -65.04 -44.6 88.56 Favored 'General case' 0 CA--C 1.499 -1.007 0 C-N-CA 120.083 -0.647 . . . . 13.53 110.484 -178.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . -59.62 -50.24 74.66 Favored 'General case' 0 C--O 1.198 -1.609 0 CA-C-O 121.583 0.706 . . . . 10.25 111.043 177.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -58.23 -40.18 81.05 Favored 'General case' 0 N--CA 1.423 -1.808 0 CA-C-N 115.633 -0.712 . . . . 11.96 111.54 178.799 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 207' ' ' ARG . . . . . . . . . . . . . 29.8 ttp-105 -67.24 -48.04 68.95 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 106.803 -1.555 . . . . 32.5 106.803 -177.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 208' ' ' LEU . . . . . . . . . . . . . 71.2 mt -59.47 -41.15 89.07 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 113.934 1.087 . . . . 15.46 113.934 179.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 209' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -56.59 -54.72 42.64 Favored 'General case' 0 C--O 1.207 -1.154 0 C-N-CA 118.797 -1.161 . . . . 12.95 109.192 177.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 210' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -57.0 -34.05 67.76 Favored 'General case' 0 C--O 1.196 -1.722 0 N-CA-C 112.79 0.663 . . . . 15.07 112.79 178.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 211' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -77.83 -40.05 41.64 Favored 'General case' 0 C--O 1.203 -1.394 0 O-C-N 121.342 -0.849 . . . . 25.56 113.124 -177.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 212' ' ' THR . . . . . . . . . . . . . 74.2 p . . . . . 0 C--N 1.315 -0.899 0 N-CA-C 112.889 0.7 . . . . 24.14 112.889 -174.15 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . 0.424 ' O ' ' OH ' ' A' ' 80' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 245' ' ' HOH . . . . . 0.555 ' O ' ' ND1' ' A' ' 49' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 218' ' ' HOH . . . . . 0.577 ' O ' ' NE2' ' B' ' 141' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 237' ' ' HOH . . . . . 0.795 ' O ' ' CG ' ' B' ' 54' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 241' ' ' HOH . . . . . 0.574 ' O ' ' N ' ' B' ' 6' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 N--CA 1.501 2.086 0 N-CA-C 114.018 1.118 . . . . 38.31 114.018 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 mp -22.21 -51.15 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 115.351 1.612 . . . . 36.34 115.351 164.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ARG . . . . . 0.63 ' HG3' ' H ' ' A' ' 7' ' ' ALA . 6.1 ptt85 -56.6 -57.37 12.67 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 109.644 -0.502 . . . . 37.95 109.644 175.504 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . 0.63 ' H ' ' HG3' ' A' ' 6' ' ' ARG . . . -54.48 -50.45 67.75 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 119.585 -0.245 . . . . 27.04 110.378 -179.591 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -58.17 -37.68 75.19 Favored 'General case' 0 CA--C 1.503 -0.849 0 N-CA-C 108.186 -1.042 . . . . 25.63 108.186 -175.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -65.77 -19.58 65.94 Favored 'General case' 0 C--O 1.194 -1.834 0 N-CA-C 117.939 2.57 . . . . 34.18 117.939 179.352 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.9 p -82.2 -10.86 59.0 Favored 'General case' 0 C--O 1.197 -1.659 0 N-CA-C 114.678 1.362 . . . . 19.2 114.678 -178.731 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.3 ttt-85 -62.61 -43.15 99.54 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.321 -0.862 . . . . 20.77 111.96 -173.443 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.43 -40.47 94.55 Favored 'General case' 0 C--O 1.244 0.8 0 C-N-CA 118.738 -1.185 . . . . 13.14 111.456 178.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.4 m -60.94 -44.95 96.54 Favored 'General case' 0 C--O 1.21 -0.98 0 CA-C-N 116.022 -0.536 . . . . 15.29 111.622 179.405 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.1 mt -64.21 -41.11 91.41 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.761 0 O-C-N 124.279 0.987 . . . . 15.68 111.024 -178.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 36.3 mt -67.18 -48.39 78.7 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.11 0 N-CA-C 107.598 -1.26 . . . . 13.76 107.598 179.219 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.26 -49.77 66.24 Favored Glycine 0 C--O 1.248 1.028 0 C-N-CA 119.784 -1.198 . . . . 10.68 111.365 177.051 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.8 -47.2 85.58 Favored 'General case' 0 C--O 1.208 -1.123 0 C-N-CA 118.951 -1.1 . . . . 11.32 110.881 178.482 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.39 -33.01 74.3 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 117.846 -1.542 . . . . 14.1 110.109 -178.275 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.53 -51.77 67.22 Favored 'General case' 0 CA--C 1.501 -0.926 0 C-N-CA 119.118 -1.033 . . . . 17.95 109.451 179.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -54.99 -50.2 69.58 Favored 'General case' 0 CA--C 1.492 -1.283 0 N-CA-C 107.517 -1.29 . . . . 19.09 107.517 -175.205 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LEU . . . . . 0.445 HD22 HH21 ' A' ' 25' ' ' ARG . 50.0 mt -65.35 -38.89 91.48 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.554 0.946 . . . . 23.88 113.554 -177.134 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.3 m-30 -68.78 -42.88 76.81 Favored 'General case' 0 C--O 1.219 -0.538 0 N-CA-C 108.646 -0.872 . . . . 19.53 108.646 -178.331 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -61.18 -43.89 98.16 Favored 'General case' 0 CA--C 1.555 1.141 0 N-CA-C 114.461 1.282 . . . . 23.6 114.461 175.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -86.76 -47.6 8.96 Favored 'General case' 0 C--O 1.207 -1.171 0 O-C-N 120.512 -1.368 . . . . 36.21 111.823 -178.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ARG . . . . . 0.445 HH21 HD22 ' A' ' 21' ' ' LEU . 28.5 mtm180 -99.92 -8.58 23.81 Favored 'General case' 0 C--O 1.2 -1.515 0 N-CA-C 115.551 1.685 . . . . 35.56 115.551 -174.124 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.41 152.53 26.39 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 119.503 -1.332 . . . . 23.9 113.96 -177.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -65.26 -56.78 10.82 Favored 'General case' 0 C--O 1.209 -1.061 0 N-CA-C 115.55 1.685 . . . . 22.91 115.55 -179.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLU . . . . . 0.605 ' HG2' ' OE1' ' B' ' 28' ' ' GLU . 2.5 mp0 -60.02 -36.3 76.96 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 113.178 0.807 . . . . 36.71 113.178 -175.353 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.7 t -82.45 -1.51 50.42 Favored 'General case' 0 CA--C 1.557 1.233 0 N-CA-C 116.181 1.919 . . . . 24.12 116.181 -178.253 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' THR . . . . . 0.562 ' HA ' ' OE1' ' A' ' 34' ' ' GLU . 24.3 m -103.78 136.27 43.77 Favored 'General case' 0 CA--C 1.508 -0.654 0 O-C-N 121.347 -0.845 . . . . 21.57 111.086 179.456 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' THR . . . . . 0.417 ' OG1' ' HG3' ' A' ' 34' ' ' GLU . 44.9 p -110.33 164.92 12.2 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 113.664 0.987 . . . . 17.25 113.664 -179.227 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.5 mt -60.79 -38.74 86.34 Favored 'General case' 0 CA--C 1.488 -1.426 0 CA-C-N 115.742 -0.663 . . . . 15.92 109.334 176.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 62.8 m -65.12 -42.45 93.92 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 118.645 -1.222 . . . . 15.8 108.711 -179.773 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLU . . . . . 0.562 ' OE1' ' HA ' ' A' ' 30' ' ' THR . 77.5 mt-10 -60.4 -47.89 84.14 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 117.85 -1.54 . . . . 19.35 107.107 -176.686 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.6 mt -55.6 -45.28 78.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 114.791 1.404 . . . . 14.44 114.791 -177.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' VAL . . . . . 0.655 HG13 ' O ' ' A' ' 41' ' ' VAL . 2.1 t -68.39 -36.55 75.37 Favored 'Isoleucine or valine' 0 C--O 1.249 1.037 0 CA-C-N 116.204 -0.453 . . . . 13.62 111.203 -178.19 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.81 -39.6 79.97 Favored 'General case' 0 CA--C 1.575 1.93 0 C-N-CA 119.245 -0.982 . . . . 9.77 109.869 178.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -65.01 -40.85 95.53 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-O 121.783 0.801 . . . . 15.41 109.39 -179.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.14 -16.51 59.87 Favored 'General case' 0 N--CA 1.417 -2.086 0 CA-C-N 114.943 -1.026 . . . . 13.0 112.111 -176.058 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.59 26.78 66.72 Favored Glycine 0 C--O 1.209 -1.431 0 CA-C-N 118.587 0.631 . . . . 10.68 114.404 -178.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' VAL . . . . . 0.655 ' O ' HG13 ' A' ' 36' ' ' VAL . 35.8 m -122.08 177.04 3.91 Favored 'Isoleucine or valine' 0 C--O 1.177 -2.757 0 O-C-N 121.864 -0.786 . . . . 13.73 111.646 -178.623 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 66.6 p -90.8 166.49 13.07 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-O 121.886 0.851 . . . . 16.29 110.536 176.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -61.18 -38.3 85.99 Favored 'General case' 0 N--CA 1.433 -1.291 0 CA-C-N 115.095 -0.957 . . . . 27.22 109.01 175.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.57 -44.34 93.89 Favored Glycine 0 C--N 1.318 -0.45 0 N-CA-C 110.569 -1.012 . . . . 13.04 110.569 177.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.85 -35.18 77.51 Favored 'General case' 0 N--CA 1.417 -2.107 0 C-N-CA 118.829 -1.148 . . . . 10.25 107.925 -178.671 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LEU . . . . . 0.554 ' C ' HD23 ' A' ' 46' ' ' LEU . 8.4 tt -74.03 -38.62 63.97 Favored 'General case' 0 C--O 1.261 1.697 0 C-N-CA 118.838 -1.145 . . . . 14.4 111.894 -176.595 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -73.55 -21.9 60.23 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 123.929 0.768 . . . . 18.29 110.309 -178.52 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -57.65 -34.73 69.65 Favored 'General case' 0 CA--C 1.59 2.499 0 N-CA-C 107.977 -1.12 . . . . 11.58 107.977 175.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' HIS . . . . . 0.555 ' ND1' ' O ' ' A' ' 245' ' ' HOH . 99.4 m-70 -108.02 -33.62 7.14 Favored 'General case' 0 CA--C 1.556 1.211 0 N-CA-C 114.919 1.451 . . . . 14.03 114.919 -174.141 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -137.6 124.4 21.19 Favored 'General case' 0 N--CA 1.432 -1.328 0 N-CA-C 111.958 0.355 . . . . 20.12 111.958 -177.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.18 -39.18 78.85 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 123.286 0.634 . . . . 16.71 112.695 176.317 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -144.6 169.98 16.95 Favored 'General case' 0 C--O 1.251 1.138 0 N-CA-C 114.512 1.301 . . . . 19.07 114.512 177.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LYS . . . . . 0.534 ' NZ ' ' O ' ' A' ' 30' ' ' THR . 56.1 tttt -48.45 -38.95 21.17 Favored 'General case' 0 CA--C 1.559 1.305 0 CA-C-N 113.421 -1.718 . . . . 22.9 111.256 177.638 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -62.97 -35.32 79.78 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-O 121.39 0.614 . . . . 51.09 109.949 -176.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -64.96 -36.9 85.87 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-O 118.285 -0.864 . . . . 31.94 110.697 -179.319 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.3 mt -61.9 -36.37 81.1 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.499 0.72 . . . . 29.17 110.925 172.749 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.35 -51.81 47.81 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.877 -1.056 . . . . 23.61 111.252 179.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -61.4 -41.12 96.64 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 119.122 -0.466 . . . . 34.08 110.5 179.106 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.73 -45.34 92.48 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.246 1.202 . . . . 22.4 114.246 174.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 74.8 mt -59.83 -46.97 93.13 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 CA-C-N 118.46 0.573 . . . . 23.05 110.106 174.187 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 47.8 mt -61.44 -37.72 84.56 Favored 'General case' 0 C--O 1.248 1.013 0 CA-C-O 121.265 0.555 . . . . 27.03 111.136 178.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.32 -45.09 94.65 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 115.6 -0.727 . . . . 43.02 111.216 176.404 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 20.0 mt -65.13 -38.94 83.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 113.415 0.894 . . . . 21.47 113.415 -178.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -63.15 -49.35 74.68 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-O 121.929 0.871 . . . . 28.18 108.93 178.101 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.5 t -58.51 -49.43 77.41 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.722 -0.672 . . . . 25.65 110.821 -178.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.4 mtm-85 -63.71 -36.54 84.19 Favored 'General case' 0 N--CA 1.435 -1.201 0 N-CA-C 112.653 0.612 . . . . 52.45 112.653 178.373 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.6 m -65.74 -49.84 66.95 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.513 -0.921 . . . . 23.49 108.513 -176.965 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 90.5 p -66.39 -36.47 82.92 Favored 'General case' 0 C--O 1.212 -0.919 0 C-N-CA 119.795 -0.762 . . . . 24.86 112.003 179.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ARG . . . . . 0.661 ' HG3' ' OE1' ' A' ' 126' ' ' GLU . 3.4 mtp180 -68.52 -32.59 72.65 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 121.499 -0.75 . . . . 47.69 110.52 178.838 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -70.2 -43.41 70.76 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 119.035 -1.066 . . . . 58.04 111.922 179.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 28.0 tp -66.23 -36.06 82.04 Favored 'General case' 0 CA--C 1.558 1.26 0 CA-C-O 121.888 0.851 . . . . 30.06 111.03 -178.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.55 -42.84 81.99 Favored 'General case' 0 CA--C 1.508 -0.672 0 O-C-N 121.676 -0.64 . . . . 25.24 110.002 179.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -66.87 -47.31 72.29 Favored 'General case' 0 N--CA 1.432 -1.368 0 CA-C-N 115.781 -0.645 . . . . 37.04 109.965 179.076 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -56.7 -44.64 81.75 Favored 'General case' 0 N--CA 1.441 -0.924 0 C-N-CA 119.523 -0.871 . . . . 28.69 110.74 -178.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 74.6 mt -72.59 -17.29 61.71 Favored 'General case' 0 C--O 1.202 -1.427 0 N-CA-C 114.054 1.131 . . . . 22.02 114.054 -176.027 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ASP . . . . . 0.673 ' OD1' ' C ' ' A' ' 76' ' ' ASP . 0.1 OUTLIER -92.05 0.38 57.47 Favored 'General case' 0 C--O 1.253 1.263 0 N-CA-C 114.204 1.187 . . . . 37.48 114.204 176.334 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -106.61 14.87 42.09 Favored Glycine 0 C--O 1.19 -2.608 0 CA-C-N 115.954 -0.566 . . . . 15.85 113.652 177.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.2 mtt180 -114.79 18.29 16.62 Favored 'General case' 0 C--N 1.313 -0.979 0 O-C-N 119.904 -1.939 . . . . 27.79 116.096 -174.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 76.9 20.44 76.1 Favored Glycine 0 N--CA 1.436 -1.357 0 CA-C-O 118.678 -1.068 . . . . 8.0 115.636 177.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' TYR . . . . . 0.522 ' CE1' ' HD2' ' A' ' 88' ' ' ARG . 21.1 m-30 -84.42 155.77 22.11 Favored 'General case' 0 C--O 1.187 -2.192 0 CA-C-N 117.602 0.701 . . . . 14.71 111.004 -178.592 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 60.1 p -70.01 159.8 33.12 Favored 'General case' 0 C--O 1.205 -1.255 0 N-CA-C 106.575 -1.639 . . . . 6.23 106.575 168.661 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.1 m -60.85 -38.4 85.43 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 120.468 -1.395 . . . . 15.41 114.507 -178.836 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 63.8 tp -71.79 -33.77 68.86 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 117.509 -1.676 . . . . 7.92 109.427 -177.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' GLU . . . . . 0.49 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 24.7 tt0 -62.82 -47.34 83.84 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 121.374 -0.829 . . . . 18.38 108.867 176.701 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.08 -49.03 74.95 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 115.19 -0.914 . . . . 10.67 109.974 174.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.9 tp -61.39 -49.13 78.15 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 119.388 -0.925 . . . . 10.35 110.439 -177.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 65.0 mtp -53.81 -52.92 58.76 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 108.962 -0.755 . . . . 15.91 108.962 176.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ARG . . . . . 0.522 ' HD2' ' CE1' ' A' ' 80' ' ' TYR . 27.2 mtt180 -58.23 -32.99 68.84 Favored 'General case' 0 C--O 1.2 -1.517 0 C-N-CA 118.711 -1.196 . . . . 16.71 110.453 -175.618 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 60.8 tp -66.95 -41.1 87.49 Favored 'General case' 0 C--O 1.188 -2.182 0 CA-C-N 116.563 -0.29 . . . . 21.23 110.277 -177.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 45.3 p -65.19 -45.69 83.81 Favored 'General case' 0 C--O 1.251 1.182 0 C-N-CA 117.967 -1.493 . . . . 13.83 110.765 179.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -65.07 -36.57 84.74 Favored 'General case' 0 C--O 1.213 -0.847 0 C-N-CA 119.334 -0.946 . . . . 15.17 111.383 179.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -62.68 -49.31 74.3 Favored Glycine 0 C--O 1.25 1.098 0 CA-C-O 122.443 1.024 . . . . 18.42 112.012 179.587 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 16.8 mmm -57.88 -48.85 78.63 Favored 'General case' 0 N--CA 1.428 -1.541 0 C-N-CA 119.516 -0.874 . . . . 28.5 108.669 178.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.0 -37.71 66.93 Favored 'General case' 0 C--O 1.247 0.932 0 CA-C-N 116.075 -0.511 . . . . 20.73 111.711 179.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 -69.81 -41.48 74.96 Favored 'General case' 0 C--O 1.213 -0.854 0 C-N-CA 119.675 -0.81 . . . . 43.95 111.223 179.304 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 63.7 mt -68.99 -36.13 77.49 Favored 'General case' 0 C--N 1.313 -0.987 0 C-N-CA 118.186 -1.405 . . . . 27.12 109.973 179.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 82.9 m -67.43 -39.34 85.43 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 120.511 -0.475 . . . . 27.4 112.029 179.305 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 4.4 p -62.63 -19.54 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.037 0 C-N-CA 117.325 -1.75 . . . . 20.97 109.208 -178.755 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -124.2 9.8 8.64 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 114.926 1.454 . . . . 27.48 114.926 -176.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -129.5 98.51 0.44 Allowed Glycine 0 N--CA 1.439 -1.122 0 C-N-CA 120.594 -0.812 . . . . 17.12 112.179 -179.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -49.2 -39.8 42.48 Favored 'Trans proline' 0 C--O 1.209 -0.963 0 C-N-CA 123.182 2.588 . . . . 14.92 113.483 174.589 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 89.3 t -56.41 -48.5 79.87 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.158 0 CA-C-O 121.458 0.647 . . . . 15.21 111.051 -179.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 64.6 mt -63.92 -40.47 96.55 Favored 'General case' 0 C--O 1.21 -1.006 0 CA-C-N 116.164 -0.471 . . . . 20.99 110.79 179.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -62.43 -38.62 90.44 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.751 -1.203 . . . . 13.35 107.751 178.338 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.86 -39.92 79.6 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 119.57 -0.852 . . . . 10.55 109.89 -179.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -56.83 -52.68 49.43 Favored Glycine 0 N--CA 1.451 -0.303 0 N-CA-C 109.762 -1.335 . . . . 14.4 109.762 176.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 13.8 tp -50.96 -51.34 53.51 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 114.041 -1.079 . . . . 23.87 108.696 178.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -61.93 -39.49 92.22 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 119.002 -0.523 . . . . 28.46 111.41 -176.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.8 mp -65.63 -43.59 89.01 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 121.844 0.83 . . . . 24.98 111.003 178.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.51 -43.57 93.67 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.548 -0.751 . . . . 30.67 111.25 178.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' THR . . . . . 0.477 ' O ' HG22 ' B' ' 111' ' ' THR . 5.2 m -65.24 -29.31 70.09 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 116.257 -0.429 . . . . 33.36 111.675 178.859 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -88.7 -170.24 2.85 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 108.134 -1.062 . . . . 33.6 108.134 177.331 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -94.14 38.56 3.11 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 119.642 -1.266 . . . . 38.71 113.426 -178.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' VAL . . . . . 0.424 ' HA ' ' HD2' ' A' ' 115' ' ' PRO . 81.9 t -86.17 105.44 7.47 Favored Pre-proline 0 C--N 1.32 -0.694 0 C-N-CA 120.138 -0.625 . . . . 41.5 111.539 -177.386 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 115' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 114' ' ' VAL . 18.8 Cg_endo -49.9 154.62 4.9 Favored 'Trans proline' 0 C--N 1.323 -0.81 0 C-N-CA 121.598 1.532 . . . . 42.67 113.537 -171.533 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 15.9 t -111.04 122.68 65.96 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 N-CA-C 107.958 -1.127 . . . . 45.4 107.958 175.178 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -70.73 118.47 65.24 Favored Pre-proline 0 N--CA 1.446 -0.649 0 CA-C-N 115.844 -0.616 . . . . 53.75 111.467 -179.208 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -59.07 151.42 66.42 Favored 'Trans proline' 0 CA--C 1.513 -0.528 0 C-N-CA 121.614 1.543 . . . . 46.02 111.869 177.982 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 0.5 OUTLIER -89.14 16.99 42.4 Favored 'Cis proline' 0 CA--C 1.506 -0.9 0 O-C-N 124.066 1.561 . . . . 44.09 113.998 5.629 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 20.8 tp -64.1 117.92 41.12 Favored Pre-proline 0 C--O 1.216 -0.701 0 N-CA-C 107.98 -1.118 . . . . 41.36 107.98 176.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -78.13 159.7 30.09 Favored 'Trans proline' 0 C--N 1.324 -0.748 0 CA-C-O 118.089 -0.879 . . . . 34.87 110.229 179.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -69.33 127.46 92.86 Favored Pre-proline 0 CA--C 1.493 -1.225 0 O-C-N 124.265 0.978 . . . . 29.39 108.809 179.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -50.6 -33.02 37.65 Favored 'Trans proline' 0 C--N 1.314 -1.258 0 C-N-CA 120.992 1.128 . . . . 27.59 113.292 -171.361 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -68.67 -36.59 78.73 Favored 'General case' 0 C--O 1.193 -1.907 0 C-N-CA 119.052 -1.059 . . . . 35.79 110.266 -177.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.4 p -71.87 -39.51 69.6 Favored 'General case' 0 C--O 1.193 -1.88 0 C-N-CA 117.795 -1.562 . . . . 28.22 107.308 179.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' GLU . . . . . 0.661 ' OE1' ' HG3' ' A' ' 69' ' ' ARG . 35.9 tt0 -59.33 -40.49 86.48 Favored 'General case' 0 C--O 1.199 -1.556 0 C-N-CA 119.931 -0.707 . . . . 29.14 110.965 172.021 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 35.9 m0 -70.07 -35.39 74.18 Favored 'General case' 0 C--O 1.198 -1.618 0 O-C-N 120.918 -1.114 . . . . 34.6 110.079 -179.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 58.6 mtt85 -64.73 -36.85 85.62 Favored 'General case' 0 C--O 1.249 1.064 0 N-CA-C 112.765 0.654 . . . . 38.71 112.765 173.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -66.42 -44.56 82.62 Favored 'General case' 0 N--CA 1.435 -1.181 0 C-N-CA 117.832 -1.547 . . . . 30.08 109.494 -177.257 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 57.0 mt -59.42 -54.23 37.28 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.38 0 O-C-N 124.057 0.848 . . . . 16.16 109.564 -179.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -57.01 -42.94 81.28 Favored 'General case' 0 N--CA 1.432 -1.34 0 CA-C-N 115.554 -0.748 . . . . 14.47 110.41 -177.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 16.7 m -62.62 -55.68 24.86 Favored 'General case' 0 C--O 1.208 -1.124 0 N-CA-C 113.086 0.773 . . . . 12.5 113.086 179.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.2 p -59.53 -39.33 83.56 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.222 -0.591 . . . . 18.99 111.017 -179.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -41.78 98.94 Favored 'General case' 0 C--O 1.197 -1.662 0 CA-C-O 122.431 1.11 . . . . 35.01 111.358 176.215 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 48.9 mt -67.51 -38.64 84.59 Favored 'General case' 0 C--N 1.309 -1.153 0 O-C-N 119.953 -1.717 . . . . 15.32 111.861 -179.207 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 79.0 mt -58.67 -46.76 86.49 Favored 'General case' 0 C--O 1.198 -1.648 0 N-CA-C 109.728 -0.471 . . . . 10.06 109.728 177.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -60.96 -41.49 96.45 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-N 116.528 -0.306 . . . . 24.74 110.334 179.569 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.43 -36.28 83.23 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 108.004 -1.11 . . . . 12.49 108.004 -177.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 19.0 t -65.15 -44.97 95.35 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.47 0 N-CA-C 107.048 -1.464 . . . . 16.03 107.048 178.335 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -60.61 -29.02 68.96 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 114.583 1.327 . . . . 41.54 114.583 -178.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 141' ' ' GLN . . . . . 0.462 ' O ' ' NH2' ' A' ' 197' ' ' ARG . 80.8 mt-30 -97.31 11.42 36.58 Favored 'General case' 0 C--O 1.199 -1.574 0 C-N-CA 125.714 1.605 . . . . 14.49 110.56 -179.257 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 19.8 m 63.22 18.85 11.29 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 115.314 1.598 . . . . 10.12 115.314 176.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -86.27 -12.8 48.55 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 118.508 -0.758 . . . . 11.12 112.937 175.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 55.4 t -136.26 134.22 49.96 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.677 0 C-N-CA 124.254 1.022 . . . . 11.91 108.425 178.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -46.69 140.79 4.25 Favored 'General case' 0 C--O 1.249 1.074 0 N-CA-C 113.579 0.955 . . . . 13.46 113.579 179.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -63.14 -28.74 70.26 Favored 'General case' 0 N--CA 1.438 -1.051 0 CA-C-N 113.417 -1.719 . . . . 35.05 110.677 -178.59 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.8 -7.14 58.52 Favored 'General case' 0 C--N 1.316 -0.891 0 O-C-N 121.231 -0.918 . . . . 35.46 112.455 -175.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 8.0 mm -62.19 138.45 22.47 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.681 0 C-N-CA 118.909 -1.117 . . . . 23.65 111.247 -179.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 149' ' ' ASP . . . . . 0.801 ' HB3' ' HG3' ' B' ' 183' ' ' GLU . 25.3 t0 -87.52 97.05 10.63 Favored 'General case' 0 N--CA 1.428 -1.567 0 N-CA-C 107.139 -1.43 . . . . 30.19 107.139 174.279 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 150' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 151' ' ' ASP . 46.4 t -58.81 -49.2 83.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 122.29 1.043 . . . . 22.57 113.174 -176.079 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 151' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 150' ' ' VAL . 14.1 t70 -44.81 -54.03 6.81 Favored 'General case' 0 C--N 1.308 -1.204 0 C-N-CA 118.745 -1.182 . . . . 37.06 111.922 178.777 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 1.8 t -60.13 -45.58 92.52 Favored 'General case' 0 C--O 1.212 -0.895 0 O-C-N 123.447 0.467 . . . . 32.84 111.928 -175.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 31.9 t -65.46 -32.53 58.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 113.66 0.985 . . . . 31.06 113.66 176.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.55 -49.45 71.18 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 107.318 -1.364 . . . . 29.56 107.318 177.514 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 155' ' ' HIS . . . . . 0.504 ' CD2' HH21 ' B' ' 180' ' ' ARG . 22.3 m-70 -55.77 -42.8 76.03 Favored 'General case' 0 CA--C 1.5 -0.957 0 CA-C-N 114.927 -1.033 . . . . 38.9 112.581 -178.999 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 18.7 m -75.23 -43.78 49.82 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 114.848 -1.069 . . . . 31.89 108.703 -179.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 17.6 tp -56.11 -50.1 72.01 Favored 'General case' 0 C--O 1.203 -1.37 0 N-CA-C 109.956 -0.386 . . . . 30.38 109.956 -177.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 74.7 t -53.09 -55.4 12.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 120.18 -0.608 . . . . 31.11 110.109 178.158 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 53.5 t -53.71 -39.71 65.44 Favored 'General case' 0 C--O 1.207 -1.141 0 C-N-CA 120.467 -0.493 . . . . 30.44 111.268 175.779 -179.67 -87.241 -60.432 108.634 2.106 105.4 -70.622 -86.097 1 1 . 1 . 001 ecloud build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 50.8 m -69.21 -35.36 76.12 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 114.881 1.437 . . . . 33.94 114.881 -176.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 46.2 t -72.72 -34.75 48.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.781 0.801 . . . . 37.36 110.991 -177.598 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 6.8 t . . . . . 0 C--N 1.319 -0.735 0 C-N-CA 120.274 -0.571 . . . . 41.08 109.796 177.836 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 120.415 0.15 . . . . 58.57 110.784 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 2.3 tt -65.86 -46.77 77.24 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 107.733 -1.21 . . . . 31.75 107.733 178.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -60.61 -36.8 79.46 Favored 'General case' 0 C--N 1.314 -0.945 0 O-C-N 121.662 -0.649 . . . . 21.8 111.818 177.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -71.34 -34.19 70.29 Favored 'General case' 0 CA--C 1.56 1.336 0 N-CA-C 107.718 -1.216 . . . . 19.31 107.718 -173.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 184' ' ' MET . . . . . . . . . . . . . 13.2 ttp -67.72 -45.83 73.93 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 108.378 -0.971 . . . . 30.69 108.378 174.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 185' ' ' TRP . . . . . . . . . . . . . 44.2 m95 -59.61 -39.32 83.87 Favored 'General case' 0 C--O 1.201 -1.475 0 O-C-N 123.804 0.69 . . . . 16.6 110.734 178.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 186' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -58.25 -44.26 88.22 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 119.75 -0.78 . . . . 23.88 110.08 179.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 21.3 mt -65.73 -47.44 85.93 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.121 0 N-CA-C 108.454 -0.943 . . . . 16.58 108.454 -177.015 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 188' ' ' LEU . . . . . 0.464 ' O ' ' HG2' ' A' ' 192' ' ' MET . 84.8 mt -61.71 -35.32 77.7 Favored 'General case' 0 C--O 1.249 1.043 0 C-N-CA 118.349 -1.34 . . . . 17.38 109.96 179.003 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 32.2 mt -67.68 -47.73 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.186 0 C-N-CA 119.105 -1.038 . . . . 11.55 109.159 -174.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -59.23 -37.28 77.13 Favored 'General case' 0 CA--C 1.557 1.225 0 CA-C-O 121.388 0.613 . . . . 37.06 110.976 177.801 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -92.33 -10.36 60.85 Favored Glycine 0 C--O 1.202 -1.903 0 C-N-CA 118.49 -1.814 . . . . 11.65 117.367 -171.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 192' ' ' MET . . . . . 0.464 ' HG2' ' O ' ' A' ' 188' ' ' LEU . 17.5 ptp -132.16 -11.25 3.29 Favored 'General case' 0 N--CA 1.439 -0.979 0 C-N-CA 118.229 -1.388 . . . . 24.68 113.554 -176.874 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 193' ' ' VAL . . . . . . . . . . . . . 58.5 t -102.66 129.51 25.76 Favored Pre-proline 0 CA--C 1.513 -0.445 0 C-N-CA 121.047 -0.261 . . . . 13.92 110.733 -176.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -54.98 143.05 74.8 Favored 'Trans proline' 0 C--O 1.281 2.667 0 O-C-N 123.03 1.016 . . . . 16.53 110.07 176.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 195' ' ' VAL . . . . . . . . . . . . . 2.1 t -41.34 -49.37 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.504 -0.8 0 CA-C-N 113.235 -1.802 . . . . 19.05 115.38 -178.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 196' ' ' THR . . . . . 0.633 HG22 ' O ' ' A' ' 196' ' ' THR . 54.4 m -69.28 -13.18 62.25 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 116.494 2.035 . . . . 20.61 116.494 -176.013 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 197' ' ' ARG . . . . . 0.462 ' NH2' ' O ' ' A' ' 141' ' ' GLN . 1.8 mmm180 -113.96 -0.35 14.13 Favored 'General case' 0 C--O 1.209 -1.057 0 O-C-N 122.078 -0.389 . . . . 25.93 110.458 -175.741 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 198' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -64.73 -50.72 65.77 Favored 'General case' 0 CA--C 1.489 -1.371 0 N-CA-C 112.349 0.499 . . . . 19.2 112.349 -175.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -53.46 -43.44 68.1 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 124.266 0.979 . . . . 12.79 113.577 -172.112 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -59.24 -37.81 78.48 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 119.844 -0.742 . . . . 28.02 109.085 179.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -78.68 -40.5 33.72 Favored 'General case' 0 C--O 1.26 1.656 0 N-CA-C 114.042 1.127 . . . . 10.87 114.042 -177.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 202' ' ' VAL . . . . . . . . . . . . . 47.0 t -58.54 -42.51 84.79 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.826 0 N-CA-C 107.873 -1.158 . . . . 12.08 107.873 174.226 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 31.8 m -60.82 -45.93 92.52 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 108.443 -0.947 . . . . 14.93 108.443 -178.685 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 204' ' ' LEU . . . . . 0.414 ' O ' ' HG ' ' A' ' 208' ' ' LEU . 34.2 tp -66.92 -41.42 87.1 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.95 -0.7 . . . . 17.86 112.207 -175.428 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -57.35 -38.96 74.96 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 119.092 -0.48 . . . . 10.55 110.392 176.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 206' ' ' ALA . . . . . 0.504 ' O ' ' HG3' ' A' ' 210' ' ' GLN . . . -67.31 -44.03 80.19 Favored 'General case' 0 C--O 1.189 -2.093 0 O-C-N 124.588 1.18 . . . . 11.93 112.032 178.275 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -65.32 -39.84 92.96 Favored 'General case' 0 C--N 1.312 -1.03 0 C-N-CA 122.712 0.405 . . . . 32.83 111.622 179.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 208' ' ' LEU . . . . . 0.931 ' O ' HG23 ' A' ' 212' ' ' THR . 87.5 mt -70.82 -39.63 72.94 Favored 'General case' 0 C--O 1.176 -2.768 0 N-CA-C 108.431 -0.951 . . . . 17.98 108.431 178.989 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -36.89 85.34 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 120.116 -1.615 . . . . 37.11 108.509 176.111 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 210' ' ' GLN . . . . . 0.504 ' HG3' ' O ' ' A' ' 206' ' ' ALA . 82.2 mt-30 -70.4 -32.47 70.13 Favored 'General case' 0 CA--C 1.51 -0.581 0 N-CA-C 109.431 -0.581 . . . . 28.33 109.431 -177.624 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -86.35 -5.81 59.09 Favored 'General case' 0 CA--C 1.505 -0.775 0 N-CA-C 113.878 1.066 . . . . 34.6 113.878 -177.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 212' ' ' THR . . . . . 0.931 HG23 ' O ' ' A' ' 208' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.815 0 CA-C-O 127.132 3.349 . . . . 39.35 114.61 179.631 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ARG . . . . . 0.574 ' N ' ' O ' ' B' ' 241' ' ' HOH . 35.0 ttp180 . . . . . 0 N--CA 1.486 1.345 0 N-CA-C 108.388 -0.967 . . . . 43.62 108.388 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -34.69 -61.11 0.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 114.429 1.27 . . . . 19.76 114.429 169.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -59.93 -38.99 83.97 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 112.814 0.672 . . . . 33.79 112.814 -178.579 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -62.95 -41.17 99.43 Favored 'General case' 0 C--O 1.226 -0.166 0 O-C-N 122.884 0.115 . . . . 25.71 110.749 177.537 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 16.9 m -62.52 -46.8 86.75 Favored 'General case' 0 C--O 1.246 0.884 0 O-C-N 124.329 1.018 . . . . 13.74 108.7 175.464 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 68.8 ttt-85 -52.83 -50.82 62.94 Favored 'General case' 0 C--O 1.235 0.324 0 O-C-N 123.854 0.721 . . . . 23.02 111.541 178.366 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.89 -37.29 86.33 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.234 1.414 . . . . 10.41 111.691 -176.785 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 1.4 m -71.28 -32.68 68.96 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.004 0.43 . . . . 10.54 109.884 -179.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 59.9 mt -67.88 -45.05 84.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 N-CA-C 105.745 -1.946 . . . . 9.7 105.745 176.269 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 9.4 mt -57.49 -46.97 85.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 C-N-CA 119.766 -0.773 . . . . 10.97 110.731 -179.263 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.51 -40.22 98.83 Favored Glycine 0 C--O 1.25 1.118 0 CA-C-N 114.905 -1.043 . . . . 10.67 111.344 -178.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.36 -46.58 69.71 Favored 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 108.566 -0.901 . . . . 12.02 108.566 -178.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.4 -40.25 86.02 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 118.853 -1.139 . . . . 13.18 110.547 179.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.75 -45.58 92.03 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.785 -0.643 . . . . 13.52 112.413 -177.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -63.28 -34.56 77.96 Favored 'General case' 0 N--CA 1.434 -1.238 0 CA-C-N 115.326 -0.852 . . . . 17.89 109.711 -179.078 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 36.2 mt -79.94 -44.0 21.1 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 120.437 -0.505 . . . . 16.67 110.835 -177.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -60.47 -31.14 70.17 Favored 'General case' 0 C--O 1.248 0.983 0 C-N-CA 118.874 -1.131 . . . . 12.24 110.424 176.768 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -74.89 -44.05 51.0 Favored 'General case' 0 C--O 1.2 -1.511 0 C-N-CA 119.53 -0.868 . . . . 12.73 111.949 -176.888 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 47.4 mtm105 -85.83 -30.78 22.69 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 112.72 0.637 . . . . 15.39 112.72 -176.282 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -120.9 -5.28 9.61 Favored 'General case' 0 CA--C 1.499 -1.017 0 N-CA-C 115.92 1.822 . . . . 45.3 115.92 -172.799 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.13 152.99 29.86 Favored Glycine 0 C--N 1.315 -0.584 0 C-N-CA 121.402 -0.427 . . . . 11.63 112.503 177.755 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -65.3 -53.74 39.51 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.997 1.11 . . . . 19.8 113.997 -178.181 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' GLU . . . . . 0.605 ' OE1' ' HG2' ' A' ' 28' ' ' GLU . 0.7 OUTLIER -60.88 -45.37 94.82 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 115.857 1.799 . . . . 28.86 115.857 -174.066 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.83 -13.5 60.57 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 113.326 0.861 . . . . 16.62 113.326 -179.056 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 30' ' ' THR . . . . . 0.471 ' O ' ' NZ ' ' B' ' 53' ' ' LYS . 34.1 m -83.92 132.04 34.81 Favored 'General case' 0 C--O 1.205 -1.244 0 CA-C-O 122.492 1.139 . . . . 13.74 113.663 177.704 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 31' ' ' THR . . . . . 0.757 HG23 ' H ' ' B' ' 34' ' ' GLU . 4.4 t -104.62 152.21 22.73 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-O 121.726 0.774 . . . . 19.28 112.327 -177.387 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 77.7 mt -57.39 -35.38 69.93 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 115.504 -0.771 . . . . 17.67 109.89 174.295 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 71.7 m -64.49 -38.61 91.61 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 119.226 0.921 . . . . 15.39 111.246 179.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' GLU . . . . . 0.757 ' H ' HG23 ' B' ' 31' ' ' THR . 68.0 mt-10 -60.71 -51.39 69.58 Favored 'General case' 0 N--CA 1.433 -1.293 0 CA-C-N 115.75 -0.659 . . . . 23.94 110.732 174.791 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 72.1 mt -54.87 -45.12 75.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 O-C-N 124.425 1.078 . . . . 9.88 110.4 178.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 24.6 t -56.63 -52.95 47.36 Favored 'Isoleucine or valine' 0 C--O 1.257 1.474 0 N-CA-C 113.161 0.8 . . . . 12.74 113.161 -179.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.9 -49.13 73.88 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 123.2 0.313 . . . . 10.16 111.349 -179.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 25.0 t60 -51.94 -40.28 60.55 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 114.067 1.136 . . . . 14.78 114.067 176.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.31 -13.23 59.78 Favored 'General case' 0 CA--C 1.567 1.632 0 N-CA-C 116.199 1.926 . . . . 11.16 116.199 177.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.15 26.08 74.75 Favored Glycine 0 C--O 1.185 -2.944 0 N-CA-C 115.895 1.118 . . . . 10.92 115.895 -176.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 14.6 m -113.86 -177.53 0.92 Allowed 'Isoleucine or valine' 0 C--O 1.162 -3.516 0 N-CA-C 116.256 1.947 . . . . 10.63 116.256 178.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 29.3 p -91.62 155.33 18.42 Favored 'General case' 0 C--O 1.257 1.448 0 O-C-N 119.574 -1.954 . . . . 12.57 111.732 174.137 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -51.74 -42.75 62.56 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 119.084 -1.046 . . . . 22.23 108.4 172.541 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.63 -45.38 85.03 Favored Glycine 0 N--CA 1.441 -0.997 0 O-C-N 121.215 -0.928 . . . . 14.28 112.543 -179.755 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.79 -39.7 92.61 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 120.742 -0.383 . . . . 17.05 110.886 178.581 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 6.0 tt -67.19 -43.21 82.73 Favored 'General case' 0 C--N 1.316 -0.861 0 C-N-CA 118.466 -1.294 . . . . 20.24 109.988 179.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -72.25 -17.09 61.93 Favored 'General case' 0 C--O 1.201 -1.48 0 C-N-CA 116.401 -2.119 . . . . 12.58 111.37 -179.034 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -67.78 -38.63 83.61 Favored 'General case' 0 C--O 1.202 -1.407 0 C-N-CA 118.468 -1.293 . . . . 15.02 111.431 173.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -90.49 -21.27 21.92 Favored 'General case' 0 C--O 1.214 -0.809 0 N-CA-C 116.802 2.149 . . . . 12.25 116.802 -178.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -151.26 120.21 6.66 Favored 'General case' 0 C--O 1.205 -1.247 0 N-CA-C 108.976 -0.75 . . . . 12.73 108.976 -173.139 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.1 -28.68 48.72 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-O 122.121 0.962 . . . . 12.06 108.887 -172.749 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -147.3 165.42 30.17 Favored 'General case' 0 C--O 1.186 -2.238 0 CA-C-N 115.078 -0.965 . . . . 14.85 111.468 -176.101 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' LYS . . . . . 0.471 ' NZ ' ' O ' ' B' ' 30' ' ' THR . 58.7 tttt -58.97 -33.1 70.28 Favored 'General case' 0 C--O 1.202 -1.423 0 O-C-N 124.821 1.325 . . . . 21.31 110.673 179.871 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 54' ' ' GLU . . . . . 1.11 ' HG3' ' O ' ' B' ' 237' ' ' HOH . 0.9 OUTLIER -68.89 -30.94 69.54 Favored 'General case' 0 N--CA 1.486 1.375 0 CA-C-O 121.298 0.571 . . . . 50.47 110.501 177.513 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -65.41 -29.04 69.69 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 120.653 -1.279 . . . . 35.61 110.756 175.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 17.6 mt -68.47 -40.59 80.93 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 120.001 -0.68 . . . . 29.4 111.996 175.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.95 -47.75 83.48 Favored 'General case' 0 CA--C 1.49 -1.351 0 C-N-CA 124.711 1.204 . . . . 28.37 108.875 177.464 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -60.2 -47.09 87.43 Favored 'General case' 0 C--O 1.259 1.555 0 O-C-N 123.815 0.697 . . . . 32.65 112.117 -178.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.08 -37.8 88.66 Favored 'General case' 0 C--O 1.206 -1.22 0 C-N-CA 119.818 -0.753 . . . . 24.03 110.269 179.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 46.4 mt -62.19 -52.0 65.59 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.585 0 O-C-N 121.023 -1.048 . . . . 23.62 108.757 177.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 25.5 mt -57.73 -36.24 71.78 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.423 0.63 . . . . 33.71 110.539 178.456 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -64.71 -41.6 95.87 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 117.985 -1.486 . . . . 47.62 107.752 -179.197 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 63.4 mt -65.49 -42.62 93.67 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.552 0 N-CA-C 109.104 -0.702 . . . . 37.12 109.104 -178.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' GLN . . . . . 0.444 ' OE1' ' HA3' ' B' ' 106' ' ' GLY . 20.2 tt0 -56.12 -56.76 16.96 Favored 'General case' 0 C--N 1.307 -1.255 0 O-C-N 121.981 -0.45 . . . . 43.31 112.09 179.167 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 15.4 t -61.66 -35.92 79.33 Favored 'General case' 0 N--CA 1.461 0.114 0 C-N-CA 121.149 -0.22 . . . . 41.82 111.171 -177.356 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 22.8 ttt180 -75.39 -30.05 60.02 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.618 0.97 . . . . 67.53 113.618 -177.344 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 2.5 m -69.6 -47.64 62.83 Favored 'General case' 0 C--O 1.208 -1.122 0 N-CA-C 106.91 -1.515 . . . . 48.95 106.91 175.451 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 30.3 t -53.8 -53.35 53.58 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.198 -0.91 . . . . 53.78 112.758 178.623 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -64.13 -30.44 71.5 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-O 122.115 0.96 . . . . 70.11 110.935 -178.61 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' ARG . . . . . 0.762 ' O ' ' OD1' ' B' ' 74' ' ' ASP . 72.9 ttt180 -72.71 -44.21 62.01 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 113.549 0.944 . . . . 70.95 113.549 -179.16 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 24.8 tp -61.3 -40.32 93.72 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 108.679 -0.859 . . . . 53.3 108.679 -179.831 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.37 -38.8 88.28 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-N 114.34 -1.3 . . . . 52.23 108.587 176.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -77.22 -31.29 55.08 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 112.907 0.706 . . . . 63.95 112.907 -179.139 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' ASP . . . . . 0.762 ' OD1' ' O ' ' B' ' 70' ' ' ARG . 1.5 m-20 -67.36 -32.49 73.46 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 118.617 -1.233 . . . . 50.81 109.175 177.304 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 80.8 mt -82.0 -27.85 32.91 Favored 'General case' 0 N--CA 1.445 -0.679 0 O-C-N 122.017 -0.427 . . . . 44.15 111.196 -170.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -64.8 -24.12 67.45 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.569 1.322 . . . . 43.95 114.569 -176.344 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -107.66 42.17 2.01 Favored Glycine 0 CA--C 1.497 -1.084 0 C-N-CA 119.504 -1.332 . . . . 35.19 113.452 -176.475 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 12.0 mtt-85 -126.95 17.44 7.29 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 112.354 0.501 . . . . 40.21 112.354 -177.671 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.24 22.81 51.41 Favored Glycine 0 C--O 1.221 -0.699 0 N-CA-C 116.207 1.243 . . . . 25.35 116.207 179.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -76.61 162.96 27.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 118.418 1.109 . . . . 20.72 111.446 174.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 19.7 p -79.12 155.34 28.76 Favored 'General case' 0 C--O 1.186 -2.289 0 N-CA-C 103.26 -2.867 . . . . 18.49 103.26 174.836 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 20.7 m -58.31 -36.43 73.34 Favored 'General case' 0 N--CA 1.432 -1.372 0 N-CA-C 113.557 0.947 . . . . 17.77 113.557 179.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 39.5 tp -70.21 -34.8 73.34 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 106.49 -1.67 . . . . 18.81 106.49 -175.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -65.68 -43.71 88.43 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 113.48 0.919 . . . . 22.64 113.48 177.889 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.45 -50.48 73.39 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-N 114.496 -1.229 . . . . 14.45 109.327 177.259 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 63.8 tp -58.0 -52.02 67.24 Favored 'General case' 0 N--CA 1.433 -1.313 0 C-N-CA 118.808 -1.157 . . . . 15.41 110.033 -179.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 18.7 ttm -55.87 -43.41 77.11 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 122.057 -0.402 . . . . 18.75 110.307 177.685 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 78.6 mtt-85 -65.77 -33.02 74.89 Favored 'General case' 0 C--O 1.216 -0.693 0 C-N-CA 116.908 -1.917 . . . . 16.19 111.602 -178.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 29.6 tp -67.13 -44.29 80.25 Favored 'General case' 0 CA--C 1.502 -0.882 0 CA-C-N 115.194 -0.912 . . . . 22.28 108.958 -176.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 90' ' ' THR . . . . . . . . . . . . . 64.0 p -62.39 -45.6 92.41 Favored 'General case' 0 C--O 1.218 -0.602 0 C-N-CA 118.902 -1.119 . . . . 16.6 110.624 -179.127 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -65.71 -30.47 71.15 Favored 'General case' 0 C--O 1.187 -2.235 0 C-N-CA 119.351 -0.94 . . . . 12.77 111.878 178.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.97 -49.13 64.26 Favored Glycine 0 CA--C 1.529 0.938 0 CA-C-O 124.088 1.938 . . . . 15.13 109.293 176.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 79.3 mmm -58.98 -45.78 89.73 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.529 -0.983 . . . . 26.45 108.548 -179.373 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.26 -48.23 76.97 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 124.12 0.887 . . . . 16.11 108.969 -179.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 51.7 ttt85 -60.26 -40.33 89.97 Favored 'General case' 0 CA--C 1.548 0.877 0 O-C-N 123.427 0.454 . . . . 22.55 111.102 179.236 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 96' ' ' LEU . . . . . 0.455 ' HB3' HD12 ' B' ' 103' ' ' LEU . 0.0 OUTLIER -60.71 -38.14 84.05 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 119.173 -1.011 . . . . 27.28 111.735 -178.039 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 97' ' ' CYS . . . . . 0.779 ' SG ' HD22 ' B' ' 103' ' ' LEU . 88.1 m -62.29 -32.27 72.98 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 114.248 1.203 . . . . 31.36 114.248 179.396 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 98' ' ' VAL . . . . . 0.518 HG12 ' O ' ' B' ' 98' ' ' VAL . 89.7 t -82.67 -10.21 11.91 Favored 'Isoleucine or valine' 0 C--O 1.191 -1.991 0 C-N-CA 119.843 -0.743 . . . . 25.14 111.61 178.568 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 99' ' ' GLN . . . . . 0.443 ' OE1' HD12 ' B' ' 96' ' ' LEU . 84.4 mt-30 -89.54 -60.95 1.81 Allowed 'General case' 0 C--O 1.207 -1.161 0 N-CA-C 118.587 2.81 . . . . 32.98 118.587 -175.06 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . -117.77 169.9 13.41 Favored Glycine 0 C--O 1.2 -2.003 0 N-CA-C 107.575 -2.21 . . . . 23.74 107.575 174.204 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -85.52 -10.2 7.67 Favored 'Trans proline' 0 C--N 1.316 -1.16 0 N-CA-C 118.383 2.417 . . . . 22.55 118.383 179.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 66.1 t -59.48 -44.63 93.3 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.22 0 N-CA-C 114.497 1.295 . . . . 21.91 114.497 -176.571 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' LEU . . . . . 0.779 HD22 ' SG ' ' B' ' 97' ' ' CYS . 2.7 tt -68.41 -42.5 78.89 Favored 'General case' 0 C--N 1.312 -1.043 0 O-C-N 121.156 -0.965 . . . . 28.3 109.049 179.484 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -53.75 -42.76 68.54 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 115.674 -0.694 . . . . 19.79 109.226 173.896 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.23 -39.03 68.79 Favored 'General case' 0 C--O 1.25 1.128 0 CA-C-O 122.139 0.971 . . . . 15.5 110.039 -176.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 106' ' ' GLY . . . . . 0.444 ' HA3' ' OE1' ' B' ' 64' ' ' GLN . . . -51.11 -56.06 16.14 Favored Glycine 0 C--O 1.194 -2.349 0 CA-C-N 113.686 -1.597 . . . . 17.14 110.044 177.137 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 107' ' ' LEU . . . . . 0.534 ' C ' HD23 ' B' ' 107' ' ' LEU . 0.5 OUTLIER -56.55 -57.46 12.26 Favored 'General case' 0 CA--C 1.502 -0.893 0 C-N-CA 123.351 0.66 . . . . 24.95 109.936 177.856 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -49.39 -39.16 31.3 Favored 'General case' 0 N--CA 1.439 -1.017 0 CA-C-N 115.546 -0.752 . . . . 41.93 111.374 179.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 89.2 mt -68.56 -48.15 64.99 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.055 0.455 . . . . 28.03 110.838 177.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.65 -48.48 77.47 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-O 121.423 0.63 . . . . 31.23 110.199 -178.73 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 111' ' ' THR . . . . . 0.477 HG22 ' O ' ' A' ' 111' ' ' THR . 3.4 m -69.41 -26.03 64.43 Favored 'General case' 0 CA--C 1.512 -0.502 0 C-N-CA 124.939 1.296 . . . . 36.08 113.361 -178.49 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -72.54 -19.12 61.56 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.07 -1.085 . . . . 38.48 108.07 179.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 96.41 13.74 47.08 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.405 -0.903 . . . . 38.52 114.366 -178.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 56.0 t -68.39 133.85 91.09 Favored Pre-proline 0 N--CA 1.471 0.607 0 N-CA-C 107.665 -1.235 . . . . 39.0 107.665 177.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -76.46 139.91 21.07 Favored 'Trans proline' 0 CA--C 1.504 -0.984 0 C-N-CA 121.679 1.586 . . . . 38.8 112.403 -178.132 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 116' ' ' VAL . . . . . 0.491 ' O ' HG23 ' B' ' 116' ' ' VAL . 5.0 m -93.24 123.61 45.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.025 0.828 . . . . 40.74 109.19 -179.968 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -76.04 119.04 75.45 Favored Pre-proline 0 C--O 1.214 -0.805 0 N-CA-C 109.326 -0.62 . . . . 42.98 109.326 -176.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 118' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -54.65 164.39 3.16 Favored 'Trans proline' 0 CA--C 1.511 -0.675 0 C-N-CA 121.421 1.414 . . . . 45.04 109.705 176.724 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -79.49 3.86 33.5 Favored 'Cis proline' 0 C--N 1.328 -0.501 0 C-N-CA 123.349 -1.521 . . . . 45.49 113.905 1.163 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.29 132.85 95.46 Favored Pre-proline 0 C--N 1.321 -0.653 0 C-N-CA 120.36 -0.536 . . . . 50.13 111.041 178.741 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -82.66 160.28 16.6 Favored 'Trans proline' 0 C--N 1.326 -0.62 0 C-N-CA 121.057 1.172 . . . . 40.92 111.765 -179.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -70.53 125.93 92.13 Favored Pre-proline 0 CA--C 1.544 0.713 0 CA-C-N 115.2 -0.909 . . . . 35.27 110.945 179.257 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -42.58 -55.11 2.81 Favored 'Trans proline' 0 C--O 1.238 0.486 0 C-N-CA 122.526 2.151 . . . . 33.31 113.224 -173.896 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -50.78 -46.69 59.69 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 109.485 -0.561 . . . . 41.15 109.485 177.775 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 125' ' ' THR . . . . . . . . . . . . . 35.8 m -60.77 -42.27 97.15 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 109.41 -0.589 . . . . 31.5 109.41 -178.206 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -62.12 -50.11 73.2 Favored 'General case' 0 CA--C 1.499 -0.995 0 CA-C-N 115.974 -0.557 . . . . 35.75 111.763 178.871 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 127' ' ' TRP . . . . . . . . . . . . . 44.9 m0 -63.31 -37.41 87.16 Favored 'General case' 0 C--O 1.196 -1.726 0 CA-C-N 115.173 -0.921 . . . . 30.89 109.296 -175.001 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -67.56 -40.51 84.95 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 113.035 0.754 . . . . 43.79 113.035 179.441 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -68.09 -43.53 78.29 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.77 0.795 . . . . 40.39 111.555 -179.231 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 130' ' ' ILE . . . . . 0.428 HG23 ' NH2' ' B' ' 134' ' ' ARG . 49.4 mt -62.34 -45.56 98.49 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.442 0 N-CA-C 108.437 -0.949 . . . . 27.51 108.437 -179.733 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -64.14 -47.03 81.49 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 119.815 -0.754 . . . . 23.05 111.483 -179.495 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 21.7 m -60.32 -47.79 84.52 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-N 114.987 -1.006 . . . . 24.28 112.111 -179.396 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 88.9 p -62.46 -41.49 98.8 Favored 'General case' 0 CA--C 1.497 -1.088 0 C-N-CA 118.969 -1.092 . . . . 21.71 111.157 -179.493 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 134' ' ' ARG . . . . . 0.428 ' NH2' HG23 ' B' ' 130' ' ' ILE . 37.8 mtt85 -66.21 -38.87 89.0 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 119.878 -0.729 . . . . 37.03 112.475 176.417 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 50.7 mt -63.15 -41.23 99.24 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 118.781 -1.168 . . . . 22.58 111.711 176.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 51.1 mt -60.66 -37.49 81.75 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 112.478 0.547 . . . . 19.54 112.478 175.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 137' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -68.12 -34.52 76.51 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 108.276 -1.009 . . . . 31.34 108.276 177.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.83 -39.55 94.49 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 121.108 -0.237 . . . . 22.43 111.634 -177.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 139' ' ' VAL . . . . . . . . . . . . . 22.3 t -64.5 -47.98 86.96 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.717 0 CA-C-O 122.204 1.002 . . . . 23.05 109.359 177.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 12.2 ttp-105 -57.57 -38.56 75.01 Favored 'General case' 0 C--O 1.208 -1.095 0 N-CA-C 108.066 -1.087 . . . . 33.56 108.066 178.138 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -79.7 -0.76 35.42 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.15 1.167 . . . . 29.26 114.15 -179.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 13.0 m 69.94 16.74 7.62 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 116.078 1.881 . . . . 21.6 116.078 179.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -85.17 -10.74 56.35 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.715 1.006 . . . . 23.82 113.715 174.141 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 92.4 t -137.62 140.03 42.16 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.534 0 N-CA-C 107.63 -1.248 . . . . 24.99 107.63 179.014 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 145' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -61.2 141.71 57.3 Favored 'General case' 0 CA--C 1.493 -1.225 0 C-N-CA 123.039 0.535 . . . . 30.39 111.958 -174.775 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -59.94 -29.46 68.41 Favored 'General case' 0 C--O 1.209 -1.068 0 O-C-N 124.33 1.019 . . . . 39.07 113.262 -177.161 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -94.0 16.86 13.45 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 115.836 1.791 . . . . 31.15 115.836 -177.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 148' ' ' ILE . . . . . 0.516 HG13 ' HB2' ' B' ' 192' ' ' MET . 24.6 mm -72.04 149.55 9.14 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.973 0 O-C-N 121.193 -0.942 . . . . 34.76 110.627 174.984 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 149' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -91.27 95.65 10.14 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.653 -1.24 . . . . 31.84 107.653 174.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 150' ' ' VAL . . . . . . . . . . . . . 19.2 m -56.62 -37.34 51.95 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 113.85 1.055 . . . . 27.15 113.85 -173.021 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.53 -48.61 80.98 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 116.227 -0.442 . . . . 31.52 110.435 -178.228 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 24.7 m -61.21 -39.99 92.3 Favored 'General case' 0 C--O 1.209 -1.073 0 O-C-N 123.709 0.631 . . . . 22.34 109.899 179.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 76.8 t -67.9 -40.61 83.77 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.139 0 C-N-CA 119.283 -0.967 . . . . 19.59 110.606 -179.654 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.09 -44.42 95.77 Favored 'General case' 0 CA--C 1.508 -0.663 0 N-CA-C 107.57 -1.27 . . . . 19.09 107.57 -177.375 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 155' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -58.39 -45.77 87.67 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 114.366 -1.288 . . . . 26.36 111.591 -179.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 156' ' ' THR . . . . . . . . . . . . . 7.4 m -59.39 -42.57 92.01 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 116.235 -0.439 . . . . 25.02 111.439 179.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 157' ' ' LEU . . . . . . . . . . . . . 12.5 mt -60.86 -47.32 86.92 Favored 'General case' 0 N--CA 1.426 -1.644 0 CA-C-N 115.362 -0.836 . . . . 23.37 110.156 -178.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 158' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.37 -49.6 80.19 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.509 0 N-CA-C 107.186 -1.413 . . . . 24.74 107.186 -176.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 159' ' ' CYS . . . . . . . . . . . . . 5.2 m -61.13 -27.88 68.71 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 114.212 1.19 . . . . 25.5 114.212 177.151 -86.097 -70.622 -60.432 105.4 2.106 108.634 -87.241 -179.67 1 1 . 1 . 001 ecloud build full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 59.8 p -70.24 -20.62 63.06 Favored 'General case' 0 C--O 1.206 -1.222 0 C-N-CA 115.967 -2.293 . . . . 29.7 110.737 -179.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 161' ' ' VAL . . . . . . . . . . . . . 76.4 t -93.16 -46.99 13.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 N-CA-C 112.582 0.586 . . . . 32.6 112.582 177.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 162' ' ' VAL . . . . . . . . . . . . . 49.7 t . . . . . 0 C--O 1.238 0.481 0 N-CA-C 112.099 0.407 . . . . 34.83 112.099 177.169 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 176' ' ' ARG . . . . . 0.649 ' N ' HH12 ' B' ' 180' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.519 -0.242 0 N-CA-C 109.512 -0.551 . . . . 54.53 109.512 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 177' ' ' GLU . . . . . 0.892 ' H ' ' HD2' ' B' ' 178' ' ' PRO . 2.2 mt-10 -131.45 -39.2 0.03 OUTLIER Pre-proline 0 C--N 1.315 -0.918 0 N-CA-C 113.784 1.031 . . . . 38.46 113.784 -177.632 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 178' ' ' PRO . . . . . 0.892 ' HD2' ' H ' ' B' ' 177' ' ' GLU . 51.9 Cg_endo -67.14 -37.61 18.13 Favored 'Trans proline' 0 C--N 1.324 -0.72 0 N-CA-C 110.565 -0.59 . . . . 34.07 110.565 176.569 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 179' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -61.35 -40.95 96.15 Favored 'General case' 0 C--O 1.204 -1.341 0 C-N-CA 119.827 -0.749 . . . . 50.22 110.846 177.083 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 180' ' ' ARG . . . . . 0.649 HH12 ' N ' ' B' ' 176' ' ' ARG . 80.2 mtt85 -73.21 -34.34 65.87 Favored 'General case' 0 CA--C 1.494 -1.18 0 CA-C-N 116.475 -0.33 . . . . 49.83 111.023 -176.105 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 181' ' ' LEU . . . . . . . . . . . . . 39.5 tp -73.26 -36.05 66.32 Favored 'General case' 0 CA--C 1.556 1.188 0 N-CA-C 108.468 -0.938 . . . . 22.76 108.468 -178.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 182' ' ' ALA . . . . . . . . . . . . . . . -69.18 -49.61 55.12 Favored 'General case' 0 N--CA 1.436 -1.15 0 CA-C-N 115.571 -0.74 . . . . 17.41 110.017 179.331 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 183' ' ' GLU . . . . . 0.801 ' HG3' ' HB3' ' A' ' 149' ' ' ASP . 16.7 mm-40 -50.96 -46.41 61.15 Favored 'General case' 0 C--O 1.218 -0.585 0 O-C-N 123.956 0.785 . . . . 20.38 112.272 177.606 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 184' ' ' MET . . . . . . . . . . . . . 38.3 mmm -68.62 -31.36 70.47 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.595 -0.73 . . . . 26.22 112.142 178.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 185' ' ' TRP . . . . . . . . . . . . . 18.8 m95 -67.29 -37.06 82.78 Favored 'General case' 0 CA--C 1.498 -1.035 0 N-CA-C 113.319 0.859 . . . . 12.3 113.319 178.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 186' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -65.4 -44.47 87.36 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-O 122.84 1.305 . . . . 15.32 108.39 179.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 187' ' ' ILE . . . . . . . . . . . . . 61.6 mt -60.67 -44.72 97.67 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.93 0 CA-C-N 114.879 -1.055 . . . . 14.04 109.599 -178.097 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 188' ' ' LEU . . . . . . . . . . . . . 92.7 mt -65.53 -43.78 88.93 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 111.64 0.237 . . . . 16.35 111.64 179.15 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 189' ' ' ILE . . . . . . . . . . . . . 67.6 mt -55.58 -50.2 68.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 O-C-N 124.347 1.03 . . . . 14.61 111.103 178.125 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 190' ' ' ARG . . . . . . . . . . . . . 74.4 mtm-85 -57.65 -39.83 77.89 Favored 'General case' 0 C--O 1.21 -0.996 0 CA-C-O 120.804 0.335 . . . . 27.44 110.822 176.498 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 191' ' ' GLY . . . . . . . . . . . . . . . -89.15 -9.66 67.17 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 121.398 3.319 . . . . 23.99 121.398 -177.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 192' ' ' MET . . . . . 0.516 ' HB2' HG13 ' B' ' 148' ' ' ILE . 19.7 ptt? -135.65 -14.06 1.93 Allowed 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 116.098 1.888 . . . . 22.25 116.098 -177.16 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 193' ' ' VAL . . . . . . . . . . . . . 74.3 t -103.1 137.6 19.31 Favored Pre-proline 0 CA--C 1.511 -0.535 0 O-C-N 122.081 -0.387 . . . . 24.56 110.352 -177.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -60.0 142.66 98.92 Favored 'Trans proline' 0 C--N 1.325 -0.662 0 C-N-CA 121.336 1.358 . . . . 26.39 111.129 179.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 195' ' ' VAL . . . . . . . . . . . . . 60.0 t -45.32 -45.5 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 O-C-N 124.487 1.117 . . . . 26.93 111.839 -176.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 11.9 t -68.38 -14.61 63.12 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 115.87 1.804 . . . . 25.87 115.87 -173.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 197' ' ' ARG . . . . . . . . . . . . . 50.0 mtt180 -116.66 0.23 12.56 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 115.924 -0.58 . . . . 30.13 112.391 -178.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 22.5 mtt180 -62.51 -51.26 68.1 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 115.87 1.804 . . . . 30.04 115.87 -179.339 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 199' ' ' ALA . . . . . . . . . . . . . . . -54.63 -35.59 63.6 Favored 'General case' 0 N--CA 1.504 2.245 0 CA-C-N 118.639 0.654 . . . . 16.6 111.953 -172.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 32.0 ttt180 -63.16 -39.97 96.18 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 117.248 -1.781 . . . . 36.66 109.474 -177.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -76.57 -36.22 57.72 Favored 'General case' 0 C--O 1.268 2.069 0 N-CA-C 115.115 1.524 . . . . 17.06 115.115 -179.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 202' ' ' VAL . . . . . . . . . . . . . 37.7 t -59.25 -49.04 84.89 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.385 0 N-CA-C 108.258 -1.016 . . . . 9.72 108.258 175.188 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 203' ' ' THR . . . . . . . . . . . . . 37.8 p -65.84 -34.57 78.44 Favored 'General case' 0 N--CA 1.42 -1.955 0 C-N-CA 119.393 -0.923 . . . . 15.42 110.88 -179.393 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 204' ' ' LEU . . . . . . . . . . . . . 49.1 tp -65.04 -44.6 88.56 Favored 'General case' 0 CA--C 1.499 -1.007 0 C-N-CA 120.083 -0.647 . . . . 13.53 110.484 -178.61 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . -59.62 -50.24 74.66 Favored 'General case' 0 C--O 1.198 -1.609 0 CA-C-O 121.583 0.706 . . . . 10.25 111.043 177.222 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -58.23 -40.18 81.05 Favored 'General case' 0 N--CA 1.423 -1.808 0 CA-C-N 115.633 -0.712 . . . . 11.96 111.54 178.799 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 207' ' ' ARG . . . . . . . . . . . . . 29.8 ttp-105 -67.24 -48.04 68.95 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 106.803 -1.555 . . . . 32.5 106.803 -177.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 208' ' ' LEU . . . . . . . . . . . . . 71.2 mt -59.47 -41.15 89.07 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 113.934 1.087 . . . . 15.46 113.934 179.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 209' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -56.59 -54.72 42.64 Favored 'General case' 0 C--O 1.207 -1.154 0 C-N-CA 118.797 -1.161 . . . . 12.95 109.192 177.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 210' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -57.0 -34.05 67.76 Favored 'General case' 0 C--O 1.196 -1.722 0 N-CA-C 112.79 0.663 . . . . 15.07 112.79 178.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 211' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -77.83 -40.05 41.64 Favored 'General case' 0 C--O 1.203 -1.394 0 O-C-N 121.342 -0.849 . . . . 25.56 113.124 -177.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 212' ' ' THR . . . . . . . . . . . . . 74.2 p . . . . . 0 C--N 1.315 -0.899 0 N-CA-C 112.889 0.7 . . . . 24.14 112.889 -174.15 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 245' ' ' HOH . . . . . 0.555 ' O ' ' ND1' ' A' ' 49' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 237' ' ' HOH . . . . . 1.11 ' O ' ' HG3' ' B' ' 54' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 241' ' ' HOH . . . . . 0.574 ' O ' ' N ' ' B' ' 6' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.501 2.086 0 N-CA-C 114.018 1.118 . . . . 38.31 114.018 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 mp -22.21 -51.15 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 115.351 1.612 . . . . 36.34 115.351 164.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.63 ' HG3' ' H ' ' A' ' 7' ' ' ALA . 6.1 ptt85 -56.6 -57.37 12.67 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 109.644 -0.502 . . . . 37.95 109.644 175.504 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.63 ' H ' ' HG3' ' A' ' 6' ' ' ARG . . . -54.48 -50.45 67.75 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 119.585 -0.245 . . . . 27.04 110.378 -179.591 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -58.17 -37.68 75.19 Favored 'General case' 0 CA--C 1.503 -0.849 0 N-CA-C 108.186 -1.042 . . . . 25.63 108.186 -175.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -65.77 -19.58 65.94 Favored 'General case' 0 C--O 1.194 -1.834 0 N-CA-C 117.939 2.57 . . . . 34.18 117.939 179.352 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.9 p -82.2 -10.86 59.0 Favored 'General case' 0 C--O 1.197 -1.659 0 N-CA-C 114.678 1.362 . . . . 19.2 114.678 -178.731 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.3 ttt-85 -62.61 -43.15 99.54 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.321 -0.862 . . . . 20.77 111.96 -173.443 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.43 -40.47 94.55 Favored 'General case' 0 C--O 1.244 0.8 0 C-N-CA 118.738 -1.185 . . . . 13.14 111.456 178.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.4 m -60.94 -44.95 96.54 Favored 'General case' 0 C--O 1.21 -0.98 0 CA-C-N 116.022 -0.536 . . . . 15.29 111.622 179.405 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.1 mt -64.21 -41.11 91.41 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.761 0 O-C-N 124.279 0.987 . . . . 15.68 111.024 -178.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 36.3 mt -67.18 -48.39 78.7 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.11 0 N-CA-C 107.598 -1.26 . . . . 13.76 107.598 179.219 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.26 -49.77 66.24 Favored Glycine 0 C--O 1.248 1.028 0 C-N-CA 119.784 -1.198 . . . . 10.68 111.365 177.051 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.8 -47.2 85.58 Favored 'General case' 0 C--O 1.208 -1.123 0 C-N-CA 118.951 -1.1 . . . . 11.32 110.881 178.482 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.39 -33.01 74.3 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 117.846 -1.542 . . . . 14.1 110.109 -178.275 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.53 -51.77 67.22 Favored 'General case' 0 CA--C 1.501 -0.926 0 C-N-CA 119.118 -1.033 . . . . 17.95 109.451 179.607 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -54.99 -50.2 69.58 Favored 'General case' 0 CA--C 1.492 -1.283 0 N-CA-C 107.517 -1.29 . . . . 19.09 107.517 -175.205 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.445 HD22 HH21 ' A' ' 25' ' ' ARG . 50.0 mt -65.35 -38.89 91.48 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.554 0.946 . . . . 23.88 113.554 -177.134 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.3 m-30 -68.78 -42.88 76.81 Favored 'General case' 0 C--O 1.219 -0.538 0 N-CA-C 108.646 -0.872 . . . . 19.53 108.646 -178.331 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -61.18 -43.89 98.16 Favored 'General case' 0 CA--C 1.555 1.141 0 N-CA-C 114.461 1.282 . . . . 23.6 114.461 175.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -86.76 -47.6 8.96 Favored 'General case' 0 C--O 1.207 -1.171 0 O-C-N 120.512 -1.368 . . . . 36.21 111.823 -178.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.445 HH21 HD22 ' A' ' 21' ' ' LEU . 28.5 mtm180 -99.92 -8.58 23.81 Favored 'General case' 0 C--O 1.2 -1.515 0 N-CA-C 115.551 1.685 . . . . 35.56 115.551 -174.124 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.41 152.53 26.39 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 119.503 -1.332 . . . . 23.9 113.96 -177.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -65.26 -56.78 10.82 Favored 'General case' 0 C--O 1.209 -1.061 0 N-CA-C 115.55 1.685 . . . . 22.91 115.55 -179.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.605 ' HG2' ' OE1' ' B' ' 28' ' ' GLU . 2.5 mp0 -60.02 -36.3 76.96 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 113.178 0.807 . . . . 36.71 113.178 -175.353 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.7 t -82.45 -1.51 50.42 Favored 'General case' 0 CA--C 1.557 1.233 0 N-CA-C 116.181 1.919 . . . . 24.12 116.181 -178.253 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' THR . . . . . 0.562 ' HA ' ' OE1' ' A' ' 34' ' ' GLU . 24.3 m -103.78 136.27 43.77 Favored 'General case' 0 CA--C 1.508 -0.654 0 O-C-N 121.347 -0.845 . . . . 21.57 111.086 179.456 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' THR . . . . . 0.417 ' OG1' ' HG3' ' A' ' 34' ' ' GLU . 44.9 p -110.33 164.92 12.2 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 113.664 0.987 . . . . 17.25 113.664 -179.227 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.5 mt -60.79 -38.74 86.34 Favored 'General case' 0 CA--C 1.488 -1.426 0 CA-C-N 115.742 -0.663 . . . . 15.92 109.334 176.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 62.8 m -65.12 -42.45 93.92 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 118.645 -1.222 . . . . 15.8 108.711 -179.773 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.562 ' OE1' ' HA ' ' A' ' 30' ' ' THR . 77.5 mt-10 -60.4 -47.89 84.14 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 117.85 -1.54 . . . . 19.35 107.107 -176.686 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.6 mt -55.6 -45.28 78.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 114.791 1.404 . . . . 14.44 114.791 -177.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.655 HG13 ' O ' ' A' ' 41' ' ' VAL . 2.1 t -68.39 -36.55 75.37 Favored 'Isoleucine or valine' 0 C--O 1.249 1.037 0 CA-C-N 116.204 -0.453 . . . . 13.62 111.203 -178.19 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.81 -39.6 79.97 Favored 'General case' 0 CA--C 1.575 1.93 0 C-N-CA 119.245 -0.982 . . . . 9.77 109.869 178.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -65.01 -40.85 95.53 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-O 121.783 0.801 . . . . 15.41 109.39 -179.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.14 -16.51 59.87 Favored 'General case' 0 N--CA 1.417 -2.086 0 CA-C-N 114.943 -1.026 . . . . 13.0 112.111 -176.058 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.59 26.78 66.72 Favored Glycine 0 C--O 1.209 -1.431 0 CA-C-N 118.587 0.631 . . . . 10.68 114.404 -178.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.655 ' O ' HG13 ' A' ' 36' ' ' VAL . 35.8 m -122.08 177.04 3.91 Favored 'Isoleucine or valine' 0 C--O 1.177 -2.757 0 O-C-N 121.864 -0.786 . . . . 13.73 111.646 -178.623 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 66.6 p -90.8 166.49 13.07 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-O 121.886 0.851 . . . . 16.29 110.536 176.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -61.18 -38.3 85.99 Favored 'General case' 0 N--CA 1.433 -1.291 0 CA-C-N 115.095 -0.957 . . . . 27.22 109.01 175.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.57 -44.34 93.89 Favored Glycine 0 C--N 1.318 -0.45 0 N-CA-C 110.569 -1.012 . . . . 13.04 110.569 177.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.85 -35.18 77.51 Favored 'General case' 0 N--CA 1.417 -2.107 0 C-N-CA 118.829 -1.148 . . . . 10.25 107.925 -178.671 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.554 ' C ' HD23 ' A' ' 46' ' ' LEU . 8.4 tt -74.03 -38.62 63.97 Favored 'General case' 0 C--O 1.261 1.697 0 C-N-CA 118.838 -1.145 . . . . 14.4 111.894 -176.595 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -73.55 -21.9 60.23 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 123.929 0.768 . . . . 18.29 110.309 -178.52 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -57.65 -34.73 69.65 Favored 'General case' 0 CA--C 1.59 2.499 0 N-CA-C 107.977 -1.12 . . . . 11.58 107.977 175.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.555 ' ND1' ' O ' ' A' ' 245' ' ' HOH . 99.4 m-70 -108.02 -33.62 7.14 Favored 'General case' 0 CA--C 1.556 1.211 0 N-CA-C 114.919 1.451 . . . . 14.03 114.919 -174.141 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -137.6 124.4 21.19 Favored 'General case' 0 N--CA 1.432 -1.328 0 N-CA-C 111.958 0.355 . . . . 20.12 111.958 -177.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.18 -39.18 78.85 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 123.286 0.634 . . . . 16.71 112.695 176.317 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -144.6 169.98 16.95 Favored 'General case' 0 C--O 1.251 1.138 0 N-CA-C 114.512 1.301 . . . . 19.07 114.512 177.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.534 ' NZ ' ' O ' ' A' ' 30' ' ' THR . 56.1 tttt -48.45 -38.95 21.17 Favored 'General case' 0 CA--C 1.559 1.305 0 CA-C-N 113.421 -1.718 . . . . 22.9 111.256 177.638 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -62.97 -35.32 79.78 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-O 121.39 0.614 . . . . 51.09 109.949 -176.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -64.96 -36.9 85.87 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-O 118.285 -0.864 . . . . 31.94 110.697 -179.319 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.3 mt -61.9 -36.37 81.1 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.499 0.72 . . . . 29.17 110.925 172.749 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.35 -51.81 47.81 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.877 -1.056 . . . . 23.61 111.252 179.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -61.4 -41.12 96.64 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 119.122 -0.466 . . . . 34.08 110.5 179.106 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.73 -45.34 92.48 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.246 1.202 . . . . 22.4 114.246 174.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 74.8 mt -59.83 -46.97 93.13 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 CA-C-N 118.46 0.573 . . . . 23.05 110.106 174.187 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 47.8 mt -61.44 -37.72 84.56 Favored 'General case' 0 C--O 1.248 1.013 0 CA-C-O 121.265 0.555 . . . . 27.03 111.136 178.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.32 -45.09 94.65 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 115.6 -0.727 . . . . 43.02 111.216 176.404 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 20.0 mt -65.13 -38.94 83.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 113.415 0.894 . . . . 21.47 113.415 -178.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -63.15 -49.35 74.68 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-O 121.929 0.871 . . . . 28.18 108.93 178.101 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.5 t -58.51 -49.43 77.41 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.722 -0.672 . . . . 25.65 110.821 -178.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.4 mtm-85 -63.71 -36.54 84.19 Favored 'General case' 0 N--CA 1.435 -1.201 0 N-CA-C 112.653 0.612 . . . . 52.45 112.653 178.373 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.6 m -65.74 -49.84 66.95 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.513 -0.921 . . . . 23.49 108.513 -176.965 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 90.5 p -66.39 -36.47 82.92 Favored 'General case' 0 C--O 1.212 -0.919 0 C-N-CA 119.795 -0.762 . . . . 24.86 112.003 179.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.661 ' HG3' ' OE1' ' A' ' 126' ' ' GLU . 3.4 mtp180 -68.52 -32.59 72.65 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 121.499 -0.75 . . . . 47.69 110.52 178.838 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -70.2 -43.41 70.76 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 119.035 -1.066 . . . . 58.04 111.922 179.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 28.0 tp -66.23 -36.06 82.04 Favored 'General case' 0 CA--C 1.558 1.26 0 CA-C-O 121.888 0.851 . . . . 30.06 111.03 -178.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.55 -42.84 81.99 Favored 'General case' 0 CA--C 1.508 -0.672 0 O-C-N 121.676 -0.64 . . . . 25.24 110.002 179.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -66.87 -47.31 72.29 Favored 'General case' 0 N--CA 1.432 -1.368 0 CA-C-N 115.781 -0.645 . . . . 37.04 109.965 179.076 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -56.7 -44.64 81.75 Favored 'General case' 0 N--CA 1.441 -0.924 0 C-N-CA 119.523 -0.871 . . . . 28.69 110.74 -178.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 74.6 mt -72.59 -17.29 61.71 Favored 'General case' 0 C--O 1.202 -1.427 0 N-CA-C 114.054 1.131 . . . . 22.02 114.054 -176.027 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.673 ' OD1' ' C ' ' A' ' 76' ' ' ASP . 0.1 OUTLIER -92.05 0.38 57.47 Favored 'General case' 0 C--O 1.253 1.263 0 N-CA-C 114.204 1.187 . . . . 37.48 114.204 176.334 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -106.61 14.87 42.09 Favored Glycine 0 C--O 1.19 -2.608 0 CA-C-N 115.954 -0.566 . . . . 15.85 113.652 177.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.2 mtt180 -114.79 18.29 16.62 Favored 'General case' 0 C--N 1.313 -0.979 0 O-C-N 119.904 -1.939 . . . . 27.79 116.096 -174.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 76.9 20.44 76.1 Favored Glycine 0 N--CA 1.436 -1.357 0 CA-C-O 118.678 -1.068 . . . . 8.0 115.636 177.33 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.522 ' CE1' ' HD2' ' A' ' 88' ' ' ARG . 21.1 m-30 -84.42 155.77 22.11 Favored 'General case' 0 C--O 1.187 -2.192 0 CA-C-N 117.602 0.701 . . . . 14.71 111.004 -178.592 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 60.1 p -70.01 159.8 33.12 Favored 'General case' 0 C--O 1.205 -1.255 0 N-CA-C 106.575 -1.639 . . . . 6.23 106.575 168.661 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' SER . . . . . 0.686 ' H ' HE22 ' A' ' 141' ' ' GLN . 6.1 m -60.85 -38.4 85.43 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 120.468 -1.395 . . . . 15.41 114.507 -178.836 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 63.8 tp -71.79 -33.77 68.86 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 117.509 -1.676 . . . . 7.92 109.427 -177.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.49 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 24.7 tt0 -62.82 -47.34 83.84 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 121.374 -0.829 . . . . 18.38 108.867 176.701 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.08 -49.03 74.95 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 115.19 -0.914 . . . . 10.67 109.974 174.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.9 tp -61.39 -49.13 78.15 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 119.388 -0.925 . . . . 10.35 110.439 -177.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 65.0 mtp -53.81 -52.92 58.76 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 108.962 -0.755 . . . . 15.91 108.962 176.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.522 ' HD2' ' CE1' ' A' ' 80' ' ' TYR . 27.2 mtt180 -58.23 -32.99 68.84 Favored 'General case' 0 C--O 1.2 -1.517 0 C-N-CA 118.711 -1.196 . . . . 16.71 110.453 -175.618 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 60.8 tp -66.95 -41.1 87.49 Favored 'General case' 0 C--O 1.188 -2.182 0 CA-C-N 116.563 -0.29 . . . . 21.23 110.277 -177.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 45.3 p -65.19 -45.69 83.81 Favored 'General case' 0 C--O 1.251 1.182 0 C-N-CA 117.967 -1.493 . . . . 13.83 110.765 179.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -65.07 -36.57 84.74 Favored 'General case' 0 C--O 1.213 -0.847 0 C-N-CA 119.334 -0.946 . . . . 15.17 111.383 179.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -62.68 -49.31 74.3 Favored Glycine 0 C--O 1.25 1.098 0 CA-C-O 122.443 1.024 . . . . 18.42 112.012 179.587 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 16.8 mmm -57.88 -48.85 78.63 Favored 'General case' 0 N--CA 1.428 -1.541 0 C-N-CA 119.516 -0.874 . . . . 28.5 108.669 178.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.0 -37.71 66.93 Favored 'General case' 0 C--O 1.247 0.932 0 CA-C-N 116.075 -0.511 . . . . 20.73 111.711 179.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 -69.81 -41.48 74.96 Favored 'General case' 0 C--O 1.213 -0.854 0 C-N-CA 119.675 -0.81 . . . . 43.95 111.223 179.304 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 63.7 mt -68.99 -36.13 77.49 Favored 'General case' 0 C--N 1.313 -0.987 0 C-N-CA 118.186 -1.405 . . . . 27.12 109.973 179.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 82.9 m -67.43 -39.34 85.43 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 120.511 -0.475 . . . . 27.4 112.029 179.305 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 4.4 p -62.63 -19.54 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.037 0 C-N-CA 117.325 -1.75 . . . . 20.97 109.208 -178.755 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -124.2 9.8 8.64 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 114.926 1.454 . . . . 27.48 114.926 -176.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -129.5 98.51 0.44 Allowed Glycine 0 N--CA 1.439 -1.122 0 C-N-CA 120.594 -0.812 . . . . 17.12 112.179 -179.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -49.2 -39.8 42.48 Favored 'Trans proline' 0 C--O 1.209 -0.963 0 C-N-CA 123.182 2.588 . . . . 14.92 113.483 174.589 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 89.3 t -56.41 -48.5 79.87 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.158 0 CA-C-O 121.458 0.647 . . . . 15.21 111.051 -179.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 64.6 mt -63.92 -40.47 96.55 Favored 'General case' 0 C--O 1.21 -1.006 0 CA-C-N 116.164 -0.471 . . . . 20.99 110.79 179.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -62.43 -38.62 90.44 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.751 -1.203 . . . . 13.35 107.751 178.338 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.86 -39.92 79.6 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 119.57 -0.852 . . . . 10.55 109.89 -179.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -56.83 -52.68 49.43 Favored Glycine 0 N--CA 1.451 -0.303 0 N-CA-C 109.762 -1.335 . . . . 14.4 109.762 176.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 13.8 tp -50.96 -51.34 53.51 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 114.041 -1.079 . . . . 23.87 108.696 178.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -61.93 -39.49 92.22 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 119.002 -0.523 . . . . 28.46 111.41 -176.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.8 mp -65.63 -43.59 89.01 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 121.844 0.83 . . . . 24.98 111.003 178.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.51 -43.57 93.67 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.548 -0.751 . . . . 30.67 111.25 178.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' THR . . . . . 0.477 ' O ' HG22 ' B' ' 111' ' ' THR . 5.2 m -65.24 -29.31 70.09 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 116.257 -0.429 . . . . 33.36 111.675 178.859 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -88.7 -170.24 2.85 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 108.134 -1.062 . . . . 33.6 108.134 177.331 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -94.14 38.56 3.11 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 119.642 -1.266 . . . . 38.71 113.426 -178.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.424 ' HA ' ' HD2' ' A' ' 115' ' ' PRO . 81.9 t -86.17 105.44 7.47 Favored Pre-proline 0 C--N 1.32 -0.694 0 C-N-CA 120.138 -0.625 . . . . 41.5 111.539 -177.386 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 114' ' ' VAL . 18.8 Cg_endo -49.9 154.62 4.9 Favored 'Trans proline' 0 C--N 1.323 -0.81 0 C-N-CA 121.598 1.532 . . . . 42.67 113.537 -171.533 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 15.9 t -111.04 122.68 65.96 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 N-CA-C 107.958 -1.127 . . . . 45.4 107.958 175.178 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -70.73 118.47 65.24 Favored Pre-proline 0 N--CA 1.446 -0.649 0 CA-C-N 115.844 -0.616 . . . . 53.75 111.467 -179.208 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -59.07 151.42 66.42 Favored 'Trans proline' 0 CA--C 1.513 -0.528 0 C-N-CA 121.614 1.543 . . . . 46.02 111.869 177.982 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 0.5 OUTLIER -89.14 16.99 42.4 Favored 'Cis proline' 0 CA--C 1.506 -0.9 0 O-C-N 124.066 1.561 . . . . 44.09 113.998 5.629 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 20.8 tp -64.1 117.92 41.12 Favored Pre-proline 0 C--O 1.216 -0.701 0 N-CA-C 107.98 -1.118 . . . . 41.36 107.98 176.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -78.13 159.7 30.09 Favored 'Trans proline' 0 C--N 1.324 -0.748 0 CA-C-O 118.089 -0.879 . . . . 34.87 110.229 179.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -69.33 127.46 92.86 Favored Pre-proline 0 CA--C 1.493 -1.225 0 O-C-N 124.265 0.978 . . . . 29.39 108.809 179.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -50.6 -33.02 37.65 Favored 'Trans proline' 0 C--N 1.314 -1.258 0 C-N-CA 120.992 1.128 . . . . 27.59 113.292 -171.361 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -68.67 -36.59 78.73 Favored 'General case' 0 C--O 1.193 -1.907 0 C-N-CA 119.052 -1.059 . . . . 35.79 110.266 -177.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.4 p -71.87 -39.51 69.6 Favored 'General case' 0 C--O 1.193 -1.88 0 C-N-CA 117.795 -1.562 . . . . 28.22 107.308 179.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.661 ' OE1' ' HG3' ' A' ' 69' ' ' ARG . 35.9 tt0 -59.33 -40.49 86.48 Favored 'General case' 0 C--O 1.199 -1.556 0 C-N-CA 119.931 -0.707 . . . . 29.14 110.965 172.021 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 35.9 m0 -70.07 -35.39 74.18 Favored 'General case' 0 C--O 1.198 -1.618 0 O-C-N 120.918 -1.114 . . . . 34.6 110.079 -179.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 58.6 mtt85 -64.73 -36.85 85.62 Favored 'General case' 0 C--O 1.249 1.064 0 N-CA-C 112.765 0.654 . . . . 38.71 112.765 173.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -66.42 -44.56 82.62 Favored 'General case' 0 N--CA 1.435 -1.181 0 C-N-CA 117.832 -1.547 . . . . 30.08 109.494 -177.257 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 57.0 mt -59.42 -54.23 37.28 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.38 0 O-C-N 124.057 0.848 . . . . 16.16 109.564 -179.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -57.01 -42.94 81.28 Favored 'General case' 0 N--CA 1.432 -1.34 0 CA-C-N 115.554 -0.748 . . . . 14.47 110.41 -177.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 16.7 m -62.62 -55.68 24.86 Favored 'General case' 0 C--O 1.208 -1.124 0 N-CA-C 113.086 0.773 . . . . 12.5 113.086 179.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.2 p -59.53 -39.33 83.56 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.222 -0.591 . . . . 18.99 111.017 -179.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -41.78 98.94 Favored 'General case' 0 C--O 1.197 -1.662 0 CA-C-O 122.431 1.11 . . . . 35.01 111.358 176.215 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 48.9 mt -67.51 -38.64 84.59 Favored 'General case' 0 C--N 1.309 -1.153 0 O-C-N 119.953 -1.717 . . . . 15.32 111.861 -179.207 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 79.0 mt -58.67 -46.76 86.49 Favored 'General case' 0 C--O 1.198 -1.648 0 N-CA-C 109.728 -0.471 . . . . 10.06 109.728 177.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -60.96 -41.49 96.45 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-N 116.528 -0.306 . . . . 24.74 110.334 179.569 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.43 -36.28 83.23 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 108.004 -1.11 . . . . 12.49 108.004 -177.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 19.0 t -65.15 -44.97 95.35 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.47 0 N-CA-C 107.048 -1.464 . . . . 16.03 107.048 178.335 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -60.61 -29.02 68.96 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 114.583 1.327 . . . . 41.54 114.583 -178.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.686 HE22 ' H ' ' A' ' 82' ' ' SER . 21.5 mt-30 -97.31 11.42 36.58 Favored 'General case' 0 C--O 1.199 -1.574 0 C-N-CA 125.714 1.605 . . . . 14.49 110.56 -179.257 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 19.8 m 63.22 18.85 11.29 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 115.314 1.598 . . . . 10.12 115.314 176.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -86.27 -12.8 48.55 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 118.508 -0.758 . . . . 11.12 112.937 175.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 55.4 t -136.26 134.22 49.96 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.677 0 C-N-CA 124.254 1.022 . . . . 11.91 108.425 178.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -46.69 140.79 4.25 Favored 'General case' 0 C--O 1.249 1.074 0 N-CA-C 113.579 0.955 . . . . 13.46 113.579 179.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -63.14 -28.74 70.26 Favored 'General case' 0 N--CA 1.438 -1.051 0 CA-C-N 113.417 -1.719 . . . . 35.05 110.677 -178.59 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.8 -7.14 58.52 Favored 'General case' 0 C--N 1.316 -0.891 0 O-C-N 121.231 -0.918 . . . . 35.46 112.455 -175.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 8.0 mm -62.19 138.45 22.47 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.681 0 C-N-CA 118.909 -1.117 . . . . 23.65 111.247 -179.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.801 ' HB3' ' HG3' ' B' ' 183' ' ' GLU . 25.3 t0 -87.52 97.05 10.63 Favored 'General case' 0 N--CA 1.428 -1.567 0 N-CA-C 107.139 -1.43 . . . . 30.19 107.139 174.279 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 151' ' ' ASP . 46.4 t -58.81 -49.2 83.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 122.29 1.043 . . . . 22.57 113.174 -176.079 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 150' ' ' VAL . 14.1 t70 -44.81 -54.03 6.81 Favored 'General case' 0 C--N 1.308 -1.204 0 C-N-CA 118.745 -1.182 . . . . 37.06 111.922 178.777 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 1.8 t -60.13 -45.58 92.52 Favored 'General case' 0 C--O 1.212 -0.895 0 O-C-N 123.447 0.467 . . . . 32.84 111.928 -175.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 31.9 t -65.46 -32.53 58.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 113.66 0.985 . . . . 31.06 113.66 176.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.55 -49.45 71.18 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 107.318 -1.364 . . . . 29.56 107.318 177.514 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 155' ' ' HIS . . . . . 0.504 ' CD2' HH21 ' B' ' 180' ' ' ARG . 22.3 m-70 -55.77 -42.8 76.03 Favored 'General case' 0 CA--C 1.5 -0.957 0 CA-C-N 114.927 -1.033 . . . . 38.9 112.581 -178.999 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 18.7 m -75.23 -43.78 49.82 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 114.848 -1.069 . . . . 31.89 108.703 -179.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 17.6 tp -56.11 -50.1 72.01 Favored 'General case' 0 C--O 1.203 -1.37 0 N-CA-C 109.956 -0.386 . . . . 30.38 109.956 -177.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 74.7 t -53.09 -55.4 12.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 120.18 -0.608 . . . . 31.11 110.109 178.158 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 159' ' ' CYS . . . . . . . . . . . . . 53.5 t -53.71 -39.71 65.44 Favored 'General case' 0 C--O 1.207 -1.141 0 C-N-CA 120.467 -0.493 . . . . 30.44 111.268 175.779 -179.67 -87.241 -60.432 108.634 2.106 105.4 -70.622 -86.097 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 50.8 m -69.21 -35.36 76.12 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 114.881 1.437 . . . . 33.94 114.881 -176.903 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 46.2 t -72.72 -34.75 48.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.781 0.801 . . . . 37.36 110.991 -177.598 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 6.8 t . . . . . 0 C--N 1.319 -0.735 0 C-N-CA 120.274 -0.571 . . . . 41.08 109.796 177.836 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 120.415 0.15 . . . . 58.57 110.784 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 2.3 tt -65.86 -46.77 77.24 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 107.733 -1.21 . . . . 31.75 107.733 178.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -60.61 -36.8 79.46 Favored 'General case' 0 C--N 1.314 -0.945 0 O-C-N 121.662 -0.649 . . . . 21.8 111.818 177.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -71.34 -34.19 70.29 Favored 'General case' 0 CA--C 1.56 1.336 0 N-CA-C 107.718 -1.216 . . . . 19.31 107.718 -173.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 184' ' ' MET . . . . . . . . . . . . . 13.2 ttp -67.72 -45.83 73.93 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 108.378 -0.971 . . . . 30.69 108.378 174.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 185' ' ' TRP . . . . . . . . . . . . . 44.2 m95 -59.61 -39.32 83.87 Favored 'General case' 0 C--O 1.201 -1.475 0 O-C-N 123.804 0.69 . . . . 16.6 110.734 178.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 186' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -58.25 -44.26 88.22 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 119.75 -0.78 . . . . 23.88 110.08 179.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 21.3 mt -65.73 -47.44 85.93 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.121 0 N-CA-C 108.454 -0.943 . . . . 16.58 108.454 -177.015 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.464 ' O ' ' HG2' ' A' ' 192' ' ' MET . 84.8 mt -61.71 -35.32 77.7 Favored 'General case' 0 C--O 1.249 1.043 0 C-N-CA 118.349 -1.34 . . . . 17.38 109.96 179.003 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 189' ' ' ILE . . . . . . . . . . . . . 32.2 mt -67.68 -47.73 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.186 0 C-N-CA 119.105 -1.038 . . . . 11.55 109.159 -174.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -59.23 -37.28 77.13 Favored 'General case' 0 CA--C 1.557 1.225 0 CA-C-O 121.388 0.613 . . . . 37.06 110.976 177.801 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -92.33 -10.36 60.85 Favored Glycine 0 C--O 1.202 -1.903 0 C-N-CA 118.49 -1.814 . . . . 11.65 117.367 -171.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 192' ' ' MET . . . . . 0.464 ' HG2' ' O ' ' A' ' 188' ' ' LEU . 17.5 ptp -132.16 -11.25 3.29 Favored 'General case' 0 N--CA 1.439 -0.979 0 C-N-CA 118.229 -1.388 . . . . 24.68 113.554 -176.874 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 193' ' ' VAL . . . . . . . . . . . . . 58.5 t -102.66 129.51 25.76 Favored Pre-proline 0 CA--C 1.513 -0.445 0 C-N-CA 121.047 -0.261 . . . . 13.92 110.733 -176.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -54.98 143.05 74.8 Favored 'Trans proline' 0 C--O 1.281 2.667 0 O-C-N 123.03 1.016 . . . . 16.53 110.07 176.967 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 195' ' ' VAL . . . . . . . . . . . . . 2.1 t -41.34 -49.37 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.504 -0.8 0 CA-C-N 113.235 -1.802 . . . . 19.05 115.38 -178.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 196' ' ' THR . . . . . 0.633 HG22 ' O ' ' A' ' 196' ' ' THR . 54.4 m -69.28 -13.18 62.25 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 116.494 2.035 . . . . 20.61 116.494 -176.013 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 197' ' ' ARG . . . . . 0.462 ' NH2' ' O ' ' A' ' 141' ' ' GLN . 1.8 mmm180 -113.96 -0.35 14.13 Favored 'General case' 0 C--O 1.209 -1.057 0 O-C-N 122.078 -0.389 . . . . 25.93 110.458 -175.741 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 198' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -64.73 -50.72 65.77 Favored 'General case' 0 CA--C 1.489 -1.371 0 N-CA-C 112.349 0.499 . . . . 19.2 112.349 -175.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 199' ' ' ALA . . . . . . . . . . . . . . . -53.46 -43.44 68.1 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 124.266 0.979 . . . . 12.79 113.577 -172.112 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 200' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -59.24 -37.81 78.48 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 119.844 -0.742 . . . . 28.02 109.085 179.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -78.68 -40.5 33.72 Favored 'General case' 0 C--O 1.26 1.656 0 N-CA-C 114.042 1.127 . . . . 10.87 114.042 -177.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' VAL . . . . . . . . . . . . . 47.0 t -58.54 -42.51 84.79 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.826 0 N-CA-C 107.873 -1.158 . . . . 12.08 107.873 174.226 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 31.8 m -60.82 -45.93 92.52 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 108.443 -0.947 . . . . 14.93 108.443 -178.685 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' LEU . . . . . 0.414 ' O ' ' HG ' ' A' ' 208' ' ' LEU . 34.2 tp -66.92 -41.42 87.1 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.95 -0.7 . . . . 17.86 112.207 -175.428 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -57.35 -38.96 74.96 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 119.092 -0.48 . . . . 10.55 110.392 176.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' ALA . . . . . 0.504 ' O ' ' HG3' ' A' ' 210' ' ' GLN . . . -67.31 -44.03 80.19 Favored 'General case' 0 C--O 1.189 -2.093 0 O-C-N 124.588 1.18 . . . . 11.93 112.032 178.275 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -65.32 -39.84 92.96 Favored 'General case' 0 C--N 1.312 -1.03 0 C-N-CA 122.712 0.405 . . . . 32.83 111.622 179.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' LEU . . . . . 0.931 ' O ' HG23 ' A' ' 212' ' ' THR . 87.5 mt -70.82 -39.63 72.94 Favored 'General case' 0 C--O 1.176 -2.768 0 N-CA-C 108.431 -0.951 . . . . 17.98 108.431 178.989 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -36.89 85.34 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 120.116 -1.615 . . . . 37.11 108.509 176.111 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' GLN . . . . . 0.504 ' HG3' ' O ' ' A' ' 206' ' ' ALA . 26.3 mt-30 -70.4 -32.47 70.13 Favored 'General case' 0 CA--C 1.51 -0.581 0 N-CA-C 109.431 -0.581 . . . . 28.33 109.431 -177.624 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -86.35 -5.81 59.09 Favored 'General case' 0 CA--C 1.505 -0.775 0 N-CA-C 113.878 1.066 . . . . 34.6 113.878 -177.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' THR . . . . . 0.931 HG23 ' O ' ' A' ' 208' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.815 0 CA-C-O 127.132 3.349 . . . . 39.35 114.61 179.631 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ARG . . . . . 0.574 ' N ' ' O ' ' B' ' 241' ' ' HOH . 35.0 ttp180 . . . . . 0 N--CA 1.486 1.345 0 N-CA-C 108.388 -0.967 . . . . 43.62 108.388 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -34.69 -61.11 0.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 114.429 1.27 . . . . 19.76 114.429 169.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -59.93 -38.99 83.97 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 112.814 0.672 . . . . 33.79 112.814 -178.579 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -62.95 -41.17 99.43 Favored 'General case' 0 C--O 1.226 -0.166 0 O-C-N 122.884 0.115 . . . . 25.71 110.749 177.537 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 16.9 m -62.52 -46.8 86.75 Favored 'General case' 0 C--O 1.246 0.884 0 O-C-N 124.329 1.018 . . . . 13.74 108.7 175.464 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 68.8 ttt-85 -52.83 -50.82 62.94 Favored 'General case' 0 C--O 1.235 0.324 0 O-C-N 123.854 0.721 . . . . 23.02 111.541 178.366 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.89 -37.29 86.33 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.234 1.414 . . . . 10.41 111.691 -176.785 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 1.4 m -71.28 -32.68 68.96 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.004 0.43 . . . . 10.54 109.884 -179.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 59.9 mt -67.88 -45.05 84.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 N-CA-C 105.745 -1.946 . . . . 9.7 105.745 176.269 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 9.4 mt -57.49 -46.97 85.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 C-N-CA 119.766 -0.773 . . . . 10.97 110.731 -179.263 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.51 -40.22 98.83 Favored Glycine 0 C--O 1.25 1.118 0 CA-C-N 114.905 -1.043 . . . . 10.67 111.344 -178.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.36 -46.58 69.71 Favored 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 108.566 -0.901 . . . . 12.02 108.566 -178.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.4 -40.25 86.02 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 118.853 -1.139 . . . . 13.18 110.547 179.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.75 -45.58 92.03 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.785 -0.643 . . . . 13.52 112.413 -177.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -63.28 -34.56 77.96 Favored 'General case' 0 N--CA 1.434 -1.238 0 CA-C-N 115.326 -0.852 . . . . 17.89 109.711 -179.078 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 36.2 mt -79.94 -44.0 21.1 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 120.437 -0.505 . . . . 16.67 110.835 -177.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -60.47 -31.14 70.17 Favored 'General case' 0 C--O 1.248 0.983 0 C-N-CA 118.874 -1.131 . . . . 12.24 110.424 176.768 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -74.89 -44.05 51.0 Favored 'General case' 0 C--O 1.2 -1.511 0 C-N-CA 119.53 -0.868 . . . . 12.73 111.949 -176.888 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 47.4 mtm105 -85.83 -30.78 22.69 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 112.72 0.637 . . . . 15.39 112.72 -176.282 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -120.9 -5.28 9.61 Favored 'General case' 0 CA--C 1.499 -1.017 0 N-CA-C 115.92 1.822 . . . . 45.3 115.92 -172.799 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.13 152.99 29.86 Favored Glycine 0 C--N 1.315 -0.584 0 C-N-CA 121.402 -0.427 . . . . 11.63 112.503 177.755 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -65.3 -53.74 39.51 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.997 1.11 . . . . 19.8 113.997 -178.181 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.605 ' OE1' ' HG2' ' A' ' 28' ' ' GLU . 0.7 OUTLIER -60.88 -45.37 94.82 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 115.857 1.799 . . . . 28.86 115.857 -174.066 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.83 -13.5 60.57 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 113.326 0.861 . . . . 16.62 113.326 -179.056 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' THR . . . . . 0.471 ' O ' ' NZ ' ' B' ' 53' ' ' LYS . 34.1 m -83.92 132.04 34.81 Favored 'General case' 0 C--O 1.205 -1.244 0 CA-C-O 122.492 1.139 . . . . 13.74 113.663 177.704 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' THR . . . . . 0.757 HG23 ' H ' ' B' ' 34' ' ' GLU . 4.4 t -104.62 152.21 22.73 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-O 121.726 0.774 . . . . 19.28 112.327 -177.387 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 77.7 mt -57.39 -35.38 69.93 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 115.504 -0.771 . . . . 17.67 109.89 174.295 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 71.7 m -64.49 -38.61 91.61 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 119.226 0.921 . . . . 15.39 111.246 179.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.757 ' H ' HG23 ' B' ' 31' ' ' THR . 68.0 mt-10 -60.71 -51.39 69.58 Favored 'General case' 0 N--CA 1.433 -1.293 0 CA-C-N 115.75 -0.659 . . . . 23.94 110.732 174.791 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 72.1 mt -54.87 -45.12 75.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 O-C-N 124.425 1.078 . . . . 9.88 110.4 178.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 24.6 t -56.63 -52.95 47.36 Favored 'Isoleucine or valine' 0 C--O 1.257 1.474 0 N-CA-C 113.161 0.8 . . . . 12.74 113.161 -179.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.9 -49.13 73.88 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 123.2 0.313 . . . . 10.16 111.349 -179.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 25.0 t60 -51.94 -40.28 60.55 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 114.067 1.136 . . . . 14.78 114.067 176.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.31 -13.23 59.78 Favored 'General case' 0 CA--C 1.567 1.632 0 N-CA-C 116.199 1.926 . . . . 11.16 116.199 177.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.15 26.08 74.75 Favored Glycine 0 C--O 1.185 -2.944 0 N-CA-C 115.895 1.118 . . . . 10.92 115.895 -176.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 14.6 m -113.86 -177.53 0.92 Allowed 'Isoleucine or valine' 0 C--O 1.162 -3.516 0 N-CA-C 116.256 1.947 . . . . 10.63 116.256 178.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 29.3 p -91.62 155.33 18.42 Favored 'General case' 0 C--O 1.257 1.448 0 O-C-N 119.574 -1.954 . . . . 12.57 111.732 174.137 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -51.74 -42.75 62.56 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 119.084 -1.046 . . . . 22.23 108.4 172.541 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.63 -45.38 85.03 Favored Glycine 0 N--CA 1.441 -0.997 0 O-C-N 121.215 -0.928 . . . . 14.28 112.543 -179.755 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.79 -39.7 92.61 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 120.742 -0.383 . . . . 17.05 110.886 178.581 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 6.0 tt -67.19 -43.21 82.73 Favored 'General case' 0 C--N 1.316 -0.861 0 C-N-CA 118.466 -1.294 . . . . 20.24 109.988 179.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -72.25 -17.09 61.93 Favored 'General case' 0 C--O 1.201 -1.48 0 C-N-CA 116.401 -2.119 . . . . 12.58 111.37 -179.034 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -67.78 -38.63 83.61 Favored 'General case' 0 C--O 1.202 -1.407 0 C-N-CA 118.468 -1.293 . . . . 15.02 111.431 173.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -90.49 -21.27 21.92 Favored 'General case' 0 C--O 1.214 -0.809 0 N-CA-C 116.802 2.149 . . . . 12.25 116.802 -178.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -151.26 120.21 6.66 Favored 'General case' 0 C--O 1.205 -1.247 0 N-CA-C 108.976 -0.75 . . . . 12.73 108.976 -173.139 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.1 -28.68 48.72 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-O 122.121 0.962 . . . . 12.06 108.887 -172.749 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -147.3 165.42 30.17 Favored 'General case' 0 C--O 1.186 -2.238 0 CA-C-N 115.078 -0.965 . . . . 14.85 111.468 -176.101 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.471 ' NZ ' ' O ' ' B' ' 30' ' ' THR . 58.7 tttt -58.97 -33.1 70.28 Favored 'General case' 0 C--O 1.202 -1.423 0 O-C-N 124.821 1.325 . . . . 21.31 110.673 179.871 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' GLU . . . . . 1.11 ' HG3' ' O ' ' B' ' 237' ' ' HOH . 0.9 OUTLIER -68.89 -30.94 69.54 Favored 'General case' 0 N--CA 1.486 1.375 0 CA-C-O 121.298 0.571 . . . . 50.47 110.501 177.513 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -65.41 -29.04 69.69 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 120.653 -1.279 . . . . 35.61 110.756 175.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 17.6 mt -68.47 -40.59 80.93 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 120.001 -0.68 . . . . 29.4 111.996 175.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.95 -47.75 83.48 Favored 'General case' 0 CA--C 1.49 -1.351 0 C-N-CA 124.711 1.204 . . . . 28.37 108.875 177.464 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -60.2 -47.09 87.43 Favored 'General case' 0 C--O 1.259 1.555 0 O-C-N 123.815 0.697 . . . . 32.65 112.117 -178.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.08 -37.8 88.66 Favored 'General case' 0 C--O 1.206 -1.22 0 C-N-CA 119.818 -0.753 . . . . 24.03 110.269 179.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 46.4 mt -62.19 -52.0 65.59 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.585 0 O-C-N 121.023 -1.048 . . . . 23.62 108.757 177.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 25.5 mt -57.73 -36.24 71.78 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.423 0.63 . . . . 33.71 110.539 178.456 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -64.71 -41.6 95.87 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 117.985 -1.486 . . . . 47.62 107.752 -179.197 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 63.4 mt -65.49 -42.62 93.67 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.552 0 N-CA-C 109.104 -0.702 . . . . 37.12 109.104 -178.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' GLN . . . . . 0.444 ' OE1' ' HA3' ' B' ' 106' ' ' GLY . 20.2 tt0 -56.12 -56.76 16.96 Favored 'General case' 0 C--N 1.307 -1.255 0 O-C-N 121.981 -0.45 . . . . 43.31 112.09 179.167 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 15.4 t -61.66 -35.92 79.33 Favored 'General case' 0 N--CA 1.461 0.114 0 C-N-CA 121.149 -0.22 . . . . 41.82 111.171 -177.356 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 22.8 ttt180 -75.39 -30.05 60.02 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.618 0.97 . . . . 67.53 113.618 -177.344 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 2.5 m -69.6 -47.64 62.83 Favored 'General case' 0 C--O 1.208 -1.122 0 N-CA-C 106.91 -1.515 . . . . 48.95 106.91 175.451 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 30.3 t -53.8 -53.35 53.58 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.198 -0.91 . . . . 53.78 112.758 178.623 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -64.13 -30.44 71.5 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-O 122.115 0.96 . . . . 70.11 110.935 -178.61 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' ARG . . . . . 0.762 ' O ' ' OD1' ' B' ' 74' ' ' ASP . 72.9 ttt180 -72.71 -44.21 62.01 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 113.549 0.944 . . . . 70.95 113.549 -179.16 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 24.8 tp -61.3 -40.32 93.72 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 108.679 -0.859 . . . . 53.3 108.679 -179.831 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.37 -38.8 88.28 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-N 114.34 -1.3 . . . . 52.23 108.587 176.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -77.22 -31.29 55.08 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 112.907 0.706 . . . . 63.95 112.907 -179.139 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' ASP . . . . . 0.762 ' OD1' ' O ' ' B' ' 70' ' ' ARG . 1.5 m-20 -67.36 -32.49 73.46 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 118.617 -1.233 . . . . 50.81 109.175 177.304 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 80.8 mt -82.0 -27.85 32.91 Favored 'General case' 0 N--CA 1.445 -0.679 0 O-C-N 122.017 -0.427 . . . . 44.15 111.196 -170.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -64.8 -24.12 67.45 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.569 1.322 . . . . 43.95 114.569 -176.344 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -107.66 42.17 2.01 Favored Glycine 0 CA--C 1.497 -1.084 0 C-N-CA 119.504 -1.332 . . . . 35.19 113.452 -176.475 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 12.0 mtt-85 -126.95 17.44 7.29 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 112.354 0.501 . . . . 40.21 112.354 -177.671 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.24 22.81 51.41 Favored Glycine 0 C--O 1.221 -0.699 0 N-CA-C 116.207 1.243 . . . . 25.35 116.207 179.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -76.61 162.96 27.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 118.418 1.109 . . . . 20.72 111.446 174.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 19.7 p -79.12 155.34 28.76 Favored 'General case' 0 C--O 1.186 -2.289 0 N-CA-C 103.26 -2.867 . . . . 18.49 103.26 174.836 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' SER . . . . . 0.653 ' H ' HE22 ' B' ' 141' ' ' GLN . 20.7 m -58.31 -36.43 73.34 Favored 'General case' 0 N--CA 1.432 -1.372 0 N-CA-C 113.557 0.947 . . . . 17.77 113.557 179.912 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 39.5 tp -70.21 -34.8 73.34 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 106.49 -1.67 . . . . 18.81 106.49 -175.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -65.68 -43.71 88.43 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 113.48 0.919 . . . . 22.64 113.48 177.889 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.45 -50.48 73.39 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-N 114.496 -1.229 . . . . 14.45 109.327 177.259 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 63.8 tp -58.0 -52.02 67.24 Favored 'General case' 0 N--CA 1.433 -1.313 0 C-N-CA 118.808 -1.157 . . . . 15.41 110.033 -179.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' MET . . . . . . . . . . . . . 18.7 ttm -55.87 -43.41 77.11 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 122.057 -0.402 . . . . 18.75 110.307 177.685 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 78.6 mtt-85 -65.77 -33.02 74.89 Favored 'General case' 0 C--O 1.216 -0.693 0 C-N-CA 116.908 -1.917 . . . . 16.19 111.602 -178.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 29.6 tp -67.13 -44.29 80.25 Favored 'General case' 0 CA--C 1.502 -0.882 0 CA-C-N 115.194 -0.912 . . . . 22.28 108.958 -176.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' THR . . . . . . . . . . . . . 64.0 p -62.39 -45.6 92.41 Favored 'General case' 0 C--O 1.218 -0.602 0 C-N-CA 118.902 -1.119 . . . . 16.6 110.624 -179.127 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -65.71 -30.47 71.15 Favored 'General case' 0 C--O 1.187 -2.235 0 C-N-CA 119.351 -0.94 . . . . 12.77 111.878 178.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.97 -49.13 64.26 Favored Glycine 0 CA--C 1.529 0.938 0 CA-C-O 124.088 1.938 . . . . 15.13 109.293 176.617 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 79.3 mmm -58.98 -45.78 89.73 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.529 -0.983 . . . . 26.45 108.548 -179.373 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.26 -48.23 76.97 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 124.12 0.887 . . . . 16.11 108.969 -179.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 51.7 ttt85 -60.26 -40.33 89.97 Favored 'General case' 0 CA--C 1.548 0.877 0 O-C-N 123.427 0.454 . . . . 22.55 111.102 179.236 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' LEU . . . . . 0.455 ' HB3' HD12 ' B' ' 103' ' ' LEU . 0.0 OUTLIER -60.71 -38.14 84.05 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 119.173 -1.011 . . . . 27.28 111.735 -178.039 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' CYS . . . . . 0.779 ' SG ' HD22 ' B' ' 103' ' ' LEU . 88.1 m -62.29 -32.27 72.98 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 114.248 1.203 . . . . 31.36 114.248 179.396 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' VAL . . . . . 0.518 HG12 ' O ' ' B' ' 98' ' ' VAL . 89.7 t -82.67 -10.21 11.91 Favored 'Isoleucine or valine' 0 C--O 1.191 -1.991 0 C-N-CA 119.843 -0.743 . . . . 25.14 111.61 178.568 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' GLN . . . . . 0.443 ' OE1' HD12 ' B' ' 96' ' ' LEU . 84.4 mt-30 -89.54 -60.95 1.81 Allowed 'General case' 0 C--O 1.207 -1.161 0 N-CA-C 118.587 2.81 . . . . 32.98 118.587 -175.06 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . -117.77 169.9 13.41 Favored Glycine 0 C--O 1.2 -2.003 0 N-CA-C 107.575 -2.21 . . . . 23.74 107.575 174.204 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -85.52 -10.2 7.67 Favored 'Trans proline' 0 C--N 1.316 -1.16 0 N-CA-C 118.383 2.417 . . . . 22.55 118.383 179.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 66.1 t -59.48 -44.63 93.3 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.22 0 N-CA-C 114.497 1.295 . . . . 21.91 114.497 -176.571 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' LEU . . . . . 0.779 HD22 ' SG ' ' B' ' 97' ' ' CYS . 2.7 tt -68.41 -42.5 78.89 Favored 'General case' 0 C--N 1.312 -1.043 0 O-C-N 121.156 -0.965 . . . . 28.3 109.049 179.484 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -53.75 -42.76 68.54 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 115.674 -0.694 . . . . 19.79 109.226 173.896 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.23 -39.03 68.79 Favored 'General case' 0 C--O 1.25 1.128 0 CA-C-O 122.139 0.971 . . . . 15.5 110.039 -176.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' GLY . . . . . 0.444 ' HA3' ' OE1' ' B' ' 64' ' ' GLN . . . -51.11 -56.06 16.14 Favored Glycine 0 C--O 1.194 -2.349 0 CA-C-N 113.686 -1.597 . . . . 17.14 110.044 177.137 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' LEU . . . . . 0.534 ' C ' HD23 ' B' ' 107' ' ' LEU . 0.5 OUTLIER -56.55 -57.46 12.26 Favored 'General case' 0 CA--C 1.502 -0.893 0 C-N-CA 123.351 0.66 . . . . 24.95 109.936 177.856 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -49.39 -39.16 31.3 Favored 'General case' 0 N--CA 1.439 -1.017 0 CA-C-N 115.546 -0.752 . . . . 41.93 111.374 179.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 89.2 mt -68.56 -48.15 64.99 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.055 0.455 . . . . 28.03 110.838 177.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.65 -48.48 77.47 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-O 121.423 0.63 . . . . 31.23 110.199 -178.73 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' THR . . . . . 0.477 HG22 ' O ' ' A' ' 111' ' ' THR . 3.4 m -69.41 -26.03 64.43 Favored 'General case' 0 CA--C 1.512 -0.502 0 C-N-CA 124.939 1.296 . . . . 36.08 113.361 -178.49 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -72.54 -19.12 61.56 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.07 -1.085 . . . . 38.48 108.07 179.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 96.41 13.74 47.08 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.405 -0.903 . . . . 38.52 114.366 -178.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 56.0 t -68.39 133.85 91.09 Favored Pre-proline 0 N--CA 1.471 0.607 0 N-CA-C 107.665 -1.235 . . . . 39.0 107.665 177.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -76.46 139.91 21.07 Favored 'Trans proline' 0 CA--C 1.504 -0.984 0 C-N-CA 121.679 1.586 . . . . 38.8 112.403 -178.132 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.491 ' O ' HG23 ' B' ' 116' ' ' VAL . 5.0 m -93.24 123.61 45.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.025 0.828 . . . . 40.74 109.19 -179.968 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -76.04 119.04 75.45 Favored Pre-proline 0 C--O 1.214 -0.805 0 N-CA-C 109.326 -0.62 . . . . 42.98 109.326 -176.967 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -54.65 164.39 3.16 Favored 'Trans proline' 0 CA--C 1.511 -0.675 0 C-N-CA 121.421 1.414 . . . . 45.04 109.705 176.724 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -79.49 3.86 33.5 Favored 'Cis proline' 0 C--N 1.328 -0.501 0 C-N-CA 123.349 -1.521 . . . . 45.49 113.905 1.163 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.29 132.85 95.46 Favored Pre-proline 0 C--N 1.321 -0.653 0 C-N-CA 120.36 -0.536 . . . . 50.13 111.041 178.741 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -82.66 160.28 16.6 Favored 'Trans proline' 0 C--N 1.326 -0.62 0 C-N-CA 121.057 1.172 . . . . 40.92 111.765 -179.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -70.53 125.93 92.13 Favored Pre-proline 0 CA--C 1.544 0.713 0 CA-C-N 115.2 -0.909 . . . . 35.27 110.945 179.257 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -42.58 -55.11 2.81 Favored 'Trans proline' 0 C--O 1.238 0.486 0 C-N-CA 122.526 2.151 . . . . 33.31 113.224 -173.896 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -50.78 -46.69 59.69 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 109.485 -0.561 . . . . 41.15 109.485 177.775 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 125' ' ' THR . . . . . . . . . . . . . 35.8 m -60.77 -42.27 97.15 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 109.41 -0.589 . . . . 31.5 109.41 -178.206 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -62.12 -50.11 73.2 Favored 'General case' 0 CA--C 1.499 -0.995 0 CA-C-N 115.974 -0.557 . . . . 35.75 111.763 178.871 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 127' ' ' TRP . . . . . . . . . . . . . 44.9 m0 -63.31 -37.41 87.16 Favored 'General case' 0 C--O 1.196 -1.726 0 CA-C-N 115.173 -0.921 . . . . 30.89 109.296 -175.001 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 128' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -67.56 -40.51 84.95 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 113.035 0.754 . . . . 43.79 113.035 179.441 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 129' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -68.09 -43.53 78.29 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.77 0.795 . . . . 40.39 111.555 -179.231 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.428 HG23 ' NH2' ' B' ' 134' ' ' ARG . 49.4 mt -62.34 -45.56 98.49 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.442 0 N-CA-C 108.437 -0.949 . . . . 27.51 108.437 -179.733 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -64.14 -47.03 81.49 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 119.815 -0.754 . . . . 23.05 111.483 -179.495 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 21.7 m -60.32 -47.79 84.52 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-N 114.987 -1.006 . . . . 24.28 112.111 -179.396 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 88.9 p -62.46 -41.49 98.8 Favored 'General case' 0 CA--C 1.497 -1.088 0 C-N-CA 118.969 -1.092 . . . . 21.71 111.157 -179.493 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 134' ' ' ARG . . . . . 0.428 ' NH2' HG23 ' B' ' 130' ' ' ILE . 37.8 mtt85 -66.21 -38.87 89.0 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 119.878 -0.729 . . . . 37.03 112.475 176.417 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 50.7 mt -63.15 -41.23 99.24 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 118.781 -1.168 . . . . 22.58 111.711 176.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 136' ' ' LEU . . . . . . . . . . . . . 51.1 mt -60.66 -37.49 81.75 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 112.478 0.547 . . . . 19.54 112.478 175.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 137' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -68.12 -34.52 76.51 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 108.276 -1.009 . . . . 31.34 108.276 177.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.83 -39.55 94.49 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 121.108 -0.237 . . . . 22.43 111.634 -177.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 139' ' ' VAL . . . . . . . . . . . . . 22.3 t -64.5 -47.98 86.96 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.717 0 CA-C-O 122.204 1.002 . . . . 23.05 109.359 177.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 12.2 ttp-105 -57.57 -38.56 75.01 Favored 'General case' 0 C--O 1.208 -1.095 0 N-CA-C 108.066 -1.087 . . . . 33.56 108.066 178.138 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 141' ' ' GLN . . . . . 0.653 HE22 ' H ' ' B' ' 82' ' ' SER . 25.9 mt-30 -79.7 -0.76 35.42 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.15 1.167 . . . . 29.26 114.15 -179.903 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 13.0 m 69.94 16.74 7.62 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 116.078 1.881 . . . . 21.6 116.078 179.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -85.17 -10.74 56.35 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.715 1.006 . . . . 23.82 113.715 174.141 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 92.4 t -137.62 140.03 42.16 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.534 0 N-CA-C 107.63 -1.248 . . . . 24.99 107.63 179.014 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 145' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -61.2 141.71 57.3 Favored 'General case' 0 CA--C 1.493 -1.225 0 C-N-CA 123.039 0.535 . . . . 30.39 111.958 -174.775 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -59.94 -29.46 68.41 Favored 'General case' 0 C--O 1.209 -1.068 0 O-C-N 124.33 1.019 . . . . 39.07 113.262 -177.161 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -94.0 16.86 13.45 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 115.836 1.791 . . . . 31.15 115.836 -177.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 148' ' ' ILE . . . . . 0.516 HG13 ' HB2' ' B' ' 192' ' ' MET . 24.6 mm -72.04 149.55 9.14 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.973 0 O-C-N 121.193 -0.942 . . . . 34.76 110.627 174.984 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 149' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -91.27 95.65 10.14 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.653 -1.24 . . . . 31.84 107.653 174.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 150' ' ' VAL . . . . . . . . . . . . . 19.2 m -56.62 -37.34 51.95 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 113.85 1.055 . . . . 27.15 113.85 -173.021 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.53 -48.61 80.98 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 116.227 -0.442 . . . . 31.52 110.435 -178.228 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 24.7 m -61.21 -39.99 92.3 Favored 'General case' 0 C--O 1.209 -1.073 0 O-C-N 123.709 0.631 . . . . 22.34 109.899 179.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 76.8 t -67.9 -40.61 83.77 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.139 0 C-N-CA 119.283 -0.967 . . . . 19.59 110.606 -179.654 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.09 -44.42 95.77 Favored 'General case' 0 CA--C 1.508 -0.663 0 N-CA-C 107.57 -1.27 . . . . 19.09 107.57 -177.375 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 155' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -58.39 -45.77 87.67 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 114.366 -1.288 . . . . 26.36 111.591 -179.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 156' ' ' THR . . . . . . . . . . . . . 7.4 m -59.39 -42.57 92.01 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 116.235 -0.439 . . . . 25.02 111.439 179.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 157' ' ' LEU . . . . . . . . . . . . . 12.5 mt -60.86 -47.32 86.92 Favored 'General case' 0 N--CA 1.426 -1.644 0 CA-C-N 115.362 -0.836 . . . . 23.37 110.156 -178.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 158' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.37 -49.6 80.19 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.509 0 N-CA-C 107.186 -1.413 . . . . 24.74 107.186 -176.28 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 159' ' ' CYS . . . . . . . . . . . . . 5.2 m -61.13 -27.88 68.71 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 114.212 1.19 . . . . 25.5 114.212 177.151 -86.097 -70.622 -60.432 105.4 2.106 108.634 -87.241 -179.67 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 59.8 p -70.24 -20.62 63.06 Favored 'General case' 0 C--O 1.206 -1.222 0 C-N-CA 115.967 -2.293 . . . . 29.7 110.737 -179.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 161' ' ' VAL . . . . . . . . . . . . . 76.4 t -93.16 -46.99 13.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 N-CA-C 112.582 0.586 . . . . 32.6 112.582 177.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 162' ' ' VAL . . . . . . . . . . . . . 49.7 t . . . . . 0 C--O 1.238 0.481 0 N-CA-C 112.099 0.407 . . . . 34.83 112.099 177.169 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 176' ' ' ARG . . . . . 0.649 ' N ' HH12 ' B' ' 180' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.519 -0.242 0 N-CA-C 109.512 -0.551 . . . . 54.53 109.512 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 177' ' ' GLU . . . . . 0.892 ' H ' ' HD2' ' B' ' 178' ' ' PRO . 2.2 mt-10 -131.45 -39.2 0.03 OUTLIER Pre-proline 0 C--N 1.315 -0.918 0 N-CA-C 113.784 1.031 . . . . 38.46 113.784 -177.632 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 178' ' ' PRO . . . . . 0.892 ' HD2' ' H ' ' B' ' 177' ' ' GLU . 51.9 Cg_endo -67.14 -37.61 18.13 Favored 'Trans proline' 0 C--N 1.324 -0.72 0 N-CA-C 110.565 -0.59 . . . . 34.07 110.565 176.569 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 179' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -61.35 -40.95 96.15 Favored 'General case' 0 C--O 1.204 -1.341 0 C-N-CA 119.827 -0.749 . . . . 50.22 110.846 177.083 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 180' ' ' ARG . . . . . 0.649 HH12 ' N ' ' B' ' 176' ' ' ARG . 80.2 mtt85 -73.21 -34.34 65.87 Favored 'General case' 0 CA--C 1.494 -1.18 0 CA-C-N 116.475 -0.33 . . . . 49.83 111.023 -176.105 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 181' ' ' LEU . . . . . . . . . . . . . 39.5 tp -73.26 -36.05 66.32 Favored 'General case' 0 CA--C 1.556 1.188 0 N-CA-C 108.468 -0.938 . . . . 22.76 108.468 -178.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 182' ' ' ALA . . . . . . . . . . . . . . . -69.18 -49.61 55.12 Favored 'General case' 0 N--CA 1.436 -1.15 0 CA-C-N 115.571 -0.74 . . . . 17.41 110.017 179.331 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 183' ' ' GLU . . . . . 0.801 ' HG3' ' HB3' ' A' ' 149' ' ' ASP . 16.7 mm-40 -50.96 -46.41 61.15 Favored 'General case' 0 C--O 1.218 -0.585 0 O-C-N 123.956 0.785 . . . . 20.38 112.272 177.606 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 184' ' ' MET . . . . . . . . . . . . . 38.3 mmm -68.62 -31.36 70.47 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.595 -0.73 . . . . 26.22 112.142 178.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 185' ' ' TRP . . . . . . . . . . . . . 18.8 m95 -67.29 -37.06 82.78 Favored 'General case' 0 CA--C 1.498 -1.035 0 N-CA-C 113.319 0.859 . . . . 12.3 113.319 178.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 186' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -65.4 -44.47 87.36 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-O 122.84 1.305 . . . . 15.32 108.39 179.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 187' ' ' ILE . . . . . . . . . . . . . 61.6 mt -60.67 -44.72 97.67 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.93 0 CA-C-N 114.879 -1.055 . . . . 14.04 109.599 -178.097 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 188' ' ' LEU . . . . . . . . . . . . . 92.7 mt -65.53 -43.78 88.93 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 111.64 0.237 . . . . 16.35 111.64 179.15 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 189' ' ' ILE . . . . . . . . . . . . . 67.6 mt -55.58 -50.2 68.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 O-C-N 124.347 1.03 . . . . 14.61 111.103 178.125 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 190' ' ' ARG . . . . . . . . . . . . . 74.4 mtm-85 -57.65 -39.83 77.89 Favored 'General case' 0 C--O 1.21 -0.996 0 CA-C-O 120.804 0.335 . . . . 27.44 110.822 176.498 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 191' ' ' GLY . . . . . . . . . . . . . . . -89.15 -9.66 67.17 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 121.398 3.319 . . . . 23.99 121.398 -177.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 192' ' ' MET . . . . . 0.516 ' HB2' HG13 ' B' ' 148' ' ' ILE . 19.7 ptt? -135.65 -14.06 1.93 Allowed 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 116.098 1.888 . . . . 22.25 116.098 -177.16 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 193' ' ' VAL . . . . . . . . . . . . . 74.3 t -103.1 137.6 19.31 Favored Pre-proline 0 CA--C 1.511 -0.535 0 O-C-N 122.081 -0.387 . . . . 24.56 110.352 -177.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -60.0 142.66 98.92 Favored 'Trans proline' 0 C--N 1.325 -0.662 0 C-N-CA 121.336 1.358 . . . . 26.39 111.129 179.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 195' ' ' VAL . . . . . . . . . . . . . 60.0 t -45.32 -45.5 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 O-C-N 124.487 1.117 . . . . 26.93 111.839 -176.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 196' ' ' THR . . . . . . . . . . . . . 11.9 t -68.38 -14.61 63.12 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 115.87 1.804 . . . . 25.87 115.87 -173.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 197' ' ' ARG . . . . . . . . . . . . . 50.0 mtt180 -116.66 0.23 12.56 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 115.924 -0.58 . . . . 30.13 112.391 -178.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 22.5 mtt180 -62.51 -51.26 68.1 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 115.87 1.804 . . . . 30.04 115.87 -179.339 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 199' ' ' ALA . . . . . . . . . . . . . . . -54.63 -35.59 63.6 Favored 'General case' 0 N--CA 1.504 2.245 0 CA-C-N 118.639 0.654 . . . . 16.6 111.953 -172.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 32.0 ttt180 -63.16 -39.97 96.18 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 117.248 -1.781 . . . . 36.66 109.474 -177.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -76.57 -36.22 57.72 Favored 'General case' 0 C--O 1.268 2.069 0 N-CA-C 115.115 1.524 . . . . 17.06 115.115 -179.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' VAL . . . . . . . . . . . . . 37.7 t -59.25 -49.04 84.89 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.385 0 N-CA-C 108.258 -1.016 . . . . 9.72 108.258 175.188 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' THR . . . . . . . . . . . . . 37.8 p -65.84 -34.57 78.44 Favored 'General case' 0 N--CA 1.42 -1.955 0 C-N-CA 119.393 -0.923 . . . . 15.42 110.88 -179.393 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' LEU . . . . . . . . . . . . . 49.1 tp -65.04 -44.6 88.56 Favored 'General case' 0 CA--C 1.499 -1.007 0 C-N-CA 120.083 -0.647 . . . . 13.53 110.484 -178.61 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' ALA . . . . . . . . . . . . . . . -59.62 -50.24 74.66 Favored 'General case' 0 C--O 1.198 -1.609 0 CA-C-O 121.583 0.706 . . . . 10.25 111.043 177.222 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 206' ' ' ALA . . . . . . . . . . . . . . . -58.23 -40.18 81.05 Favored 'General case' 0 N--CA 1.423 -1.808 0 CA-C-N 115.633 -0.712 . . . . 11.96 111.54 178.799 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 207' ' ' ARG . . . . . . . . . . . . . 29.8 ttp-105 -67.24 -48.04 68.95 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 106.803 -1.555 . . . . 32.5 106.803 -177.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 208' ' ' LEU . . . . . . . . . . . . . 71.2 mt -59.47 -41.15 89.07 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 113.934 1.087 . . . . 15.46 113.934 179.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 209' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -56.59 -54.72 42.64 Favored 'General case' 0 C--O 1.207 -1.154 0 C-N-CA 118.797 -1.161 . . . . 12.95 109.192 177.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 210' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -57.0 -34.05 67.76 Favored 'General case' 0 C--O 1.196 -1.722 0 N-CA-C 112.79 0.663 . . . . 15.07 112.79 178.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 211' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -77.83 -40.05 41.64 Favored 'General case' 0 C--O 1.203 -1.394 0 O-C-N 121.342 -0.849 . . . . 25.56 113.124 -177.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 212' ' ' THR . . . . . . . . . . . . . 74.2 p . . . . . 0 C--N 1.315 -0.899 0 N-CA-C 112.889 0.7 . . . . 24.14 112.889 -174.15 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 245' ' ' HOH . . . . . 0.555 ' O ' ' ND1' ' A' ' 49' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 218' ' ' HOH . . . . . 0.55 ' O ' ' NE2' ' B' ' 141' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 237' ' ' HOH . . . . . 1.11 ' O ' ' HG3' ' B' ' 54' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 241' ' ' HOH . . . . . 0.574 ' O ' ' N ' ' B' ' 6' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_