data_4mn3_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 4mn3 _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 ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.484 -1.876 0 N-CA-C 110.374 -1.09 . . . . 21.199999999999999 110.374 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -110.75 148.79 31.58 Favored 'General case' 0 CA--C 1.49 -1.332 0 C-N-CA 119.232 -0.987 . . . . 45.579999999999998 109.242 -168.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -90.29 155.82 18.72 Favored 'General case' 0 CA--C 1.508 -0.657 0 CA-C-N 113.517 -1.674 . . . . 41.450000000000003 109.19 177.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 84.5 t -106.5 128.9 60.72 Favored 'Isoleucine or valine' 0 C--O 1.263 1.783 0 CA-C-N 114.747 -1.115 . . . . 19.890000000000001 110.589 178.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -125.57 165.73 17.98 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 125.467 1.729 . . . . 15.43 110.2 175.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -88.07 134.26 33.79 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-O 122.483 1.135 . . . . 13.539999999999999 111.837 176.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 78.8 t -89.24 126.54 42.22 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.835 0 N-CA-C 106.278 -1.749 . . . . 16.43 106.278 -176.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -81.36 -55.82 4.46 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-N 115.702 -0.681 . . . . 30.350000000000001 110.221 169.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' SER . . . . . 0.447 ' OG ' ' NH1' ' A' ' 11' ' ' ARG . 2.5 t -156.12 157.0 35.25 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 104.369 -2.456 . . . . 37.560000000000002 104.369 -176.784 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.3 mm -99.56 126.83 52.84 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.93 0 C-N-CA 125.687 1.595 . . . . 26.370000000000001 106.827 166.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ARG . . . . . 0.447 ' NH1' ' OG ' ' A' ' 9' ' ' SER . 24.1 mmm180 -97.56 -31.19 12.44 Favored 'General case' 0 C--N 1.309 -1.18 0 C-N-CA 124.829 1.252 . . . . 43.549999999999997 112.577 -170.36 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -163.35 163.22 25.21 Favored 'General case' 0 C--O 1.198 -1.618 0 N-CA-C 108.753 -0.832 . . . . 50.659999999999997 108.753 -168.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -128.66 140.05 51.95 Favored 'General case' 0 N--CA 1.44 -0.975 0 N-CA-C 105.64 -1.985 . . . . 25.010000000000002 105.64 177.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -138.63 168.78 19.04 Favored 'General case' 0 C--N 1.294 -1.816 0 CA-C-O 123.158 1.456 . . . . 22.550000000000001 110.156 168.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.4 t -111.06 133.7 55.77 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.77 0 O-C-N 120.932 -1.105 . . . . 33.350000000000001 110.541 171.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -151.41 141.3 21.98 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 112.562 0.579 . . . . 52.920000000000002 112.562 176.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.7 ttpp 35.04 46.24 0.2 Allowed 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 125.222 1.409 . . . . 72.079999999999998 111.571 -164.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.08 11.97 53.38 Favored Glycine 0 C--O 1.229 -0.185 0 N-CA-C 116.057 1.183 . . . . 53.25 116.057 -177.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LYS . . . . . 0.522 ' NZ ' ' OE2' ' A' ' 40' ' ' GLU . 3.3 mtmt -107.17 146.39 31.4 Favored 'General case' 0 C--O 1.205 -1.273 0 CA-C-N 118.494 1.147 . . . . 56.280000000000001 112.043 167.876 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 63.3 t -75.73 133.31 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.925 0 N-CA-C 104.331 -2.47 . . . . 30.960000000000001 104.331 168.815 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -128.73 153.65 47.13 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 107.294 -1.372 . . . . 27.140000000000001 107.294 170.055 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -122.16 133.15 54.74 Favored 'General case' 0 CA--C 1.484 -1.563 0 CA-C-N 113.348 -1.751 . . . . 27.469999999999999 109.029 -172.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.2 tp -80.85 106.53 12.93 Favored 'General case' 0 C--O 1.198 -1.64 0 C-N-CA 120.244 -0.583 . . . . 16.600000000000001 110.07 178.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 71.4 t -93.1 122.09 44.32 Favored 'Isoleucine or valine' 0 C--O 1.243 0.726 0 CA-C-N 118.334 0.515 . . . . 14.74 112.079 -174.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -89.62 116.33 27.68 Favored 'General case' 0 CA--C 1.501 -0.934 0 N-CA-C 104.824 -2.287 . . . . 18.23 104.824 166.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -87.55 144.95 26.44 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-O 123.365 1.555 . . . . 13.4 110.249 -175.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . 0.515 ' NZ ' ' O1 ' ' A' ' 103' ' ' EDO . 15.5 ttmt -70.56 130.26 41.36 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 106.806 -1.553 . . . . 32.840000000000003 106.806 -178.288 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.96 6.78 81.79 Favored Glycine 0 N--CA 1.431 -1.644 0 O-C-N 120.355 -1.465 . . . . 15.82 115.206 178.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -132.66 125.6 19.54 Favored Pre-proline 0 C--N 1.352 0.702 0 N-CA-C 108.949 -0.76 . . . . 16.699999999999999 108.949 -179.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -52.13 159.49 4.04 Favored 'Trans proline' 0 N--CA 1.406 -3.661 0 N-CA-C 115.988 1.495 . . . . 16.370000000000001 115.988 175.226 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -55.73 -32.37 83.84 Favored 'Trans proline' 0 N--CA 1.446 -1.323 0 N-CA-C 115.834 1.436 . . . . 22.629999999999999 115.834 -175.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -61.04 -17.76 54.08 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 119.714 3.227 . . . . 21.969999999999999 119.714 177.239 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -95.9 9.22 41.33 Favored 'General case' 0 N--CA 1.405 -2.692 0 CA-C-N 113.205 -1.816 . . . . 16.52 113.92 176.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.5 m -61.55 146.04 50.06 Favored 'General case' 0 CA--C 1.554 1.131 0 N-CA-C 108.285 -1.006 . . . . 15.5 108.285 173.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 66.8 p -136.86 149.8 47.9 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 115.619 -0.719 . . . . 14.33 111.422 -178.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -83.92 127.05 33.58 Favored 'General case' 0 C--O 1.263 1.813 0 N-CA-C 107.889 -1.152 . . . . 17.920000000000002 107.889 178.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -126.94 134.08 25.73 Favored Pre-proline 0 C--O 1.195 -1.769 0 O-C-N 124.232 0.958 . . . . 15.279999999999999 111.202 -174.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -63.9 155.89 61.42 Favored 'Trans proline' 0 N--CA 1.431 -2.201 0 C-N-CA 117.905 -0.93 . . . . 18.149999999999999 112.3 171.174 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -62.44 -31.21 71.88 Favored 'General case' 0 N--CA 1.432 -1.33 0 N-CA-C 112.104 0.409 . . . . 34.68 112.104 -171.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLU . . . . . 0.522 ' OE2' ' NZ ' ' A' ' 19' ' ' LYS . 24.2 pm0 -65.5 -17.82 64.85 Favored 'General case' 0 N--CA 1.439 -0.98 0 N-CA-C 118.019 2.6 . . . . 40.640000000000001 118.019 176.994 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -77.54 -15.11 59.46 Favored 'General case' 0 C--O 1.203 -1.35 0 O-C-N 123.285 0.366 . . . . 15.609999999999999 111.793 175.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.0 mm -92.14 102.96 14.1 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 C-N-CA 119.499 -0.88 . . . . 19.760000000000002 111.712 -175.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.4 mt -82.45 -22.33 35.28 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-N 113.363 -1.744 . . . . 17.629999999999999 112.91 -160.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -97.87 103.86 19.06 Favored Pre-proline 0 CA--C 1.5 -0.973 0 N-CA-C 105.581 -2.007 . . . . 13.220000000000001 105.581 174.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -58.71 -19.24 45.0 Favored 'Trans proline' 0 CA--C 1.49 -1.71 0 N-CA-C 118.013 2.274 . . . . 15.76 118.013 177.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 55.3 ttt-85 -61.6 -28.39 69.32 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 118.85 -1.14 . . . . 32.140000000000001 112.587 177.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.5 mt -61.79 -44.64 96.47 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 123.304 1.526 . . . . 16.719999999999999 113.008 -179.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 43.7 t -67.67 -41.78 85.82 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.937 0 O-C-N 121.106 -0.996 . . . . 18.280000000000001 109.588 176.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 13.6 mtt -61.77 -38.07 86.66 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 117.796 0.271 . . . . 37.210000000000001 110.359 -179.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.36 -38.46 90.14 Favored 'General case' 0 N--CA 1.408 -2.556 0 O-C-N 121.536 -0.728 . . . . 19.120000000000001 112.105 -179.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -66.88 -45.59 77.59 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.637 -0.875 . . . . 36.0 108.637 175.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLU . . . . . 0.445 ' OE2' ' C1 ' ' A' ' 102' ' ' EDO . 93.7 mt-10 -58.3 -37.05 74.27 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 118.164 -0.922 . . . . 22.52 113.053 179.44 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -60.32 -32.78 71.55 Favored 'General case' 0 N--CA 1.498 1.957 0 C-N-CA 124.965 1.306 . . . . 54.119999999999997 112.422 178.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.0 -8.86 53.28 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 115.301 1.593 . . . . 53.390000000000001 115.301 -179.332 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -75.79 111.16 10.85 Favored 'General case' 0 CA--C 1.568 1.665 0 CA-C-N 118.727 0.694 . . . . 32.329999999999998 110.955 174.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 . . . . . 0 N--CA 1.497 1.894 0 CA-C-O 114.063 -2.875 . . . . 64.700000000000003 110.117 176.647 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.181 -2.524 . . . . . . . . 13.65 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -104.47 163.51 12.4 Favored 'General case' 1 C--N 1.578 10.533 0 O-C-N 119.682 -1.886 . . . . 16.530000000000001 113.796 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -148.93 152.41 36.33 Favored 'General case' 0 N--CA 1.423 -1.784 0 O-C-N 124.635 1.21 . . . . 13.49 110.254 -179.361 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -70.41 146.26 50.5 Favored 'General case' 0 C--O 1.261 1.703 0 CA-C-O 122.182 0.991 . . . . 30.25 110.602 166.6 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 C--O 1.207 -1.135 0 C-N-CA 125.117 1.367 . . . . 21.34 111.789 -175.443 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 50.4 m -84.14 159.29 21.11 Favored 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 107.507 -1.294 . . . . 29.870000000000001 107.507 179.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.583 10.735 1 O-C-N 108.248 -9.032 . . . . 37.560000000000002 . . . . . . . . . . 2 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' EDO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' EDO . . . . . 0.445 ' C1 ' ' OE2' ' A' ' 52' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' EDO . . . . . 0.515 ' O1 ' ' NZ ' ' A' ' 27' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' P33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 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 ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.484 -1.876 0 N-CA-C 110.374 -1.09 . . . . 21.199999999999999 110.374 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -110.75 148.79 31.58 Favored 'General case' 0 CA--C 1.49 -1.332 0 C-N-CA 119.232 -0.987 . . . . 45.579999999999998 109.242 -168.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -90.29 155.82 18.72 Favored 'General case' 0 CA--C 1.508 -0.657 0 CA-C-N 113.517 -1.674 . . . . 41.450000000000003 109.19 177.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 84.5 t -106.5 128.9 60.72 Favored 'Isoleucine or valine' 0 C--O 1.263 1.783 0 CA-C-N 114.747 -1.115 . . . . 19.890000000000001 110.589 178.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -125.57 165.73 17.98 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 125.467 1.729 . . . . 15.43 110.2 175.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -88.07 134.26 33.79 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-O 122.483 1.135 . . . . 13.539999999999999 111.837 176.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 78.8 t -89.24 126.54 42.22 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.835 0 N-CA-C 106.278 -1.749 . . . . 16.43 106.278 -176.613 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -81.36 -55.82 4.46 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-N 115.702 -0.681 . . . . 30.350000000000001 110.221 169.5 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.5 t -156.12 157.0 35.25 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 104.369 -2.456 . . . . 37.560000000000002 104.369 -176.784 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.3 mm -99.56 126.83 52.84 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.93 0 C-N-CA 125.687 1.595 . . . . 26.370000000000001 106.827 166.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -97.56 -31.19 12.44 Favored 'General case' 0 C--N 1.309 -1.18 0 C-N-CA 124.829 1.252 . . . . 43.549999999999997 112.577 -170.36 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -163.35 163.22 25.21 Favored 'General case' 0 C--O 1.198 -1.618 0 N-CA-C 108.753 -0.832 . . . . 50.659999999999997 108.753 -168.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -128.66 140.05 51.95 Favored 'General case' 0 N--CA 1.44 -0.975 0 N-CA-C 105.64 -1.985 . . . . 25.010000000000002 105.64 177.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -138.63 168.78 19.04 Favored 'General case' 0 C--N 1.294 -1.816 0 CA-C-O 123.158 1.456 . . . . 22.550000000000001 110.156 168.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.4 t -111.06 133.7 55.77 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.77 0 O-C-N 120.932 -1.105 . . . . 33.350000000000001 110.541 171.26 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -151.41 141.3 21.98 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 112.562 0.579 . . . . 52.920000000000002 112.562 176.083 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LYS . . . . . 0.501 ' HB3' ' O ' ' A' ' 211' ' ' HOH . 6.7 ttpp 35.04 46.24 0.2 Allowed 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 125.222 1.409 . . . . 72.079999999999998 111.571 -164.117 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.08 11.97 53.38 Favored Glycine 0 C--O 1.229 -0.185 0 N-CA-C 116.057 1.183 . . . . 53.25 116.057 -177.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -107.17 146.39 31.4 Favored 'General case' 0 C--O 1.205 -1.273 0 CA-C-N 118.494 1.147 . . . . 56.280000000000001 112.043 167.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 63.3 t -75.73 133.31 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.925 0 N-CA-C 104.331 -2.47 . . . . 30.960000000000001 104.331 168.815 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -128.73 153.65 47.13 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 107.294 -1.372 . . . . 27.140000000000001 107.294 170.055 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -122.16 133.15 54.74 Favored 'General case' 0 CA--C 1.484 -1.563 0 CA-C-N 113.348 -1.751 . . . . 27.469999999999999 109.029 -172.223 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.2 tp -80.85 106.53 12.93 Favored 'General case' 0 C--O 1.198 -1.64 0 C-N-CA 120.244 -0.583 . . . . 16.600000000000001 110.07 178.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 71.4 t -93.1 122.09 44.32 Favored 'Isoleucine or valine' 0 C--O 1.243 0.726 0 CA-C-N 118.334 0.515 . . . . 14.74 112.079 -174.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -89.62 116.33 27.68 Favored 'General case' 0 CA--C 1.501 -0.934 0 N-CA-C 104.824 -2.287 . . . . 18.23 104.824 166.142 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -87.55 144.95 26.44 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-O 123.365 1.555 . . . . 13.4 110.249 -175.231 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -70.56 130.26 41.36 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 106.806 -1.553 . . . . 32.840000000000003 106.806 -178.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.96 6.78 81.79 Favored Glycine 0 N--CA 1.431 -1.644 0 O-C-N 120.355 -1.465 . . . . 15.82 115.206 178.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -132.66 125.6 19.54 Favored Pre-proline 0 C--N 1.352 0.702 0 N-CA-C 108.949 -0.76 . . . . 16.699999999999999 108.949 -179.45 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -52.13 159.49 4.04 Favored 'Trans proline' 0 N--CA 1.406 -3.661 0 N-CA-C 115.988 1.495 . . . . 16.370000000000001 115.988 175.226 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -55.73 -32.37 83.84 Favored 'Trans proline' 0 N--CA 1.446 -1.323 0 N-CA-C 115.834 1.436 . . . . 22.629999999999999 115.834 -175.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -61.04 -17.76 54.08 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 119.714 3.227 . . . . 21.969999999999999 119.714 177.239 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -95.9 9.22 41.33 Favored 'General case' 0 N--CA 1.405 -2.692 0 CA-C-N 113.205 -1.816 . . . . 16.52 113.92 176.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.5 m -61.55 146.04 50.06 Favored 'General case' 0 CA--C 1.554 1.131 0 N-CA-C 108.285 -1.006 . . . . 15.5 108.285 173.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 66.8 p -136.86 149.8 47.9 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 115.619 -0.719 . . . . 14.33 111.422 -178.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -83.92 127.05 33.58 Favored 'General case' 0 C--O 1.263 1.813 0 N-CA-C 107.889 -1.152 . . . . 17.920000000000002 107.889 178.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -126.94 134.08 25.73 Favored Pre-proline 0 C--O 1.195 -1.769 0 O-C-N 124.232 0.958 . . . . 15.279999999999999 111.202 -174.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -63.9 155.89 61.42 Favored 'Trans proline' 0 N--CA 1.431 -2.201 0 C-N-CA 117.905 -0.93 . . . . 18.149999999999999 112.3 171.174 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -62.44 -31.21 71.88 Favored 'General case' 0 N--CA 1.432 -1.33 0 N-CA-C 112.104 0.409 . . . . 34.68 112.104 -171.336 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.2 pm0 -65.5 -17.82 64.85 Favored 'General case' 0 N--CA 1.439 -0.98 0 N-CA-C 118.019 2.6 . . . . 40.640000000000001 118.019 176.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -77.54 -15.11 59.46 Favored 'General case' 0 C--O 1.203 -1.35 0 O-C-N 123.285 0.366 . . . . 15.609999999999999 111.793 175.302 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.0 mm -92.14 102.96 14.1 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 C-N-CA 119.499 -0.88 . . . . 19.760000000000002 111.712 -175.679 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.4 mt -82.45 -22.33 35.28 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-N 113.363 -1.744 . . . . 17.629999999999999 112.91 -160.482 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -97.87 103.86 19.06 Favored Pre-proline 0 CA--C 1.5 -0.973 0 N-CA-C 105.581 -2.007 . . . . 13.220000000000001 105.581 174.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' PRO . . . . . 0.538 ' HB2' ' CE ' ' A' ' 49' ' ' MET . 12.9 Cg_endo -58.71 -19.24 45.0 Favored 'Trans proline' 0 CA--C 1.49 -1.71 0 N-CA-C 118.013 2.274 . . . . 15.76 118.013 177.314 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 55.3 ttt-85 -61.6 -28.39 69.32 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 118.85 -1.14 . . . . 32.140000000000001 112.587 177.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.5 mt -61.79 -44.64 96.47 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 123.304 1.526 . . . . 16.719999999999999 113.008 -179.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 43.7 t -67.67 -41.78 85.82 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.937 0 O-C-N 121.106 -0.996 . . . . 18.280000000000001 109.588 176.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' MET . . . . . 0.538 ' CE ' ' HB2' ' A' ' 45' ' ' PRO . 13.6 mtt -61.77 -38.07 86.66 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 117.796 0.271 . . . . 37.210000000000001 110.359 -179.789 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.36 -38.46 90.14 Favored 'General case' 0 N--CA 1.408 -2.556 0 O-C-N 121.536 -0.728 . . . . 19.120000000000001 112.105 -179.952 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -66.88 -45.59 77.59 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.637 -0.875 . . . . 36.0 108.637 175.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLU . . . . . 0.575 ' OE2' ' H12' ' A' ' 102' ' ' EDO . 93.7 mt-10 -58.3 -37.05 74.27 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 118.164 -0.922 . . . . 22.52 113.053 179.44 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -60.32 -32.78 71.55 Favored 'General case' 0 N--CA 1.498 1.957 0 C-N-CA 124.965 1.306 . . . . 54.119999999999997 112.422 178.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.0 -8.86 53.28 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 115.301 1.593 . . . . 53.390000000000001 115.301 -179.332 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -75.79 111.16 10.85 Favored 'General case' 0 CA--C 1.568 1.665 0 CA-C-N 118.727 0.694 . . . . 32.329999999999998 110.955 174.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 . . . . . 0 N--CA 1.497 1.894 0 CA-C-O 114.063 -2.875 . . . . 64.700000000000003 110.117 176.647 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.181 -2.524 . . . . . . . . 13.65 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -104.47 163.51 12.4 Favored 'General case' 1 C--N 1.578 10.533 0 O-C-N 119.682 -1.886 . . . . 16.530000000000001 113.796 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -148.93 152.41 36.33 Favored 'General case' 0 N--CA 1.423 -1.784 0 O-C-N 124.635 1.21 . . . . 13.49 110.254 -179.361 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -70.41 146.26 50.5 Favored 'General case' 0 C--O 1.261 1.703 0 CA-C-O 122.182 0.991 . . . . 30.25 110.602 166.6 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 C--O 1.207 -1.135 0 C-N-CA 125.117 1.367 . . . . 21.34 111.789 -175.443 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 50.4 m -84.14 159.29 21.11 Favored 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 107.507 -1.294 . . . . 29.870000000000001 107.507 179.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.583 10.735 1 O-C-N 108.248 -9.032 . . . . 37.560000000000002 . . . . . . . . . . 2 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' EDO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' EDO . . . . . 0.575 ' H12' ' OE2' ' A' ' 52' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' EDO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' P33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . 0.501 ' O ' ' HB3' ' A' ' 17' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud 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 ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.484 -1.876 0 N-CA-C 110.374 -1.09 . . . . 21.199999999999999 110.374 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -110.75 148.79 31.58 Favored 'General case' 0 CA--C 1.49 -1.332 0 C-N-CA 119.232 -0.987 . . . . 45.579999999999998 109.242 -168.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -90.29 155.82 18.72 Favored 'General case' 0 CA--C 1.508 -0.657 0 CA-C-N 113.517 -1.674 . . . . 41.450000000000003 109.19 177.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 84.5 t -106.5 128.9 60.72 Favored 'Isoleucine or valine' 0 C--O 1.263 1.783 0 CA-C-N 114.747 -1.115 . . . . 19.890000000000001 110.589 178.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -125.57 165.73 17.98 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 125.467 1.729 . . . . 15.43 110.2 175.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -88.07 134.26 33.79 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-O 122.483 1.135 . . . . 13.539999999999999 111.837 176.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 78.8 t -89.24 126.54 42.22 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.835 0 N-CA-C 106.278 -1.749 . . . . 16.43 106.278 -176.613 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -81.36 -55.82 4.46 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-N 115.702 -0.681 . . . . 30.350000000000001 110.221 169.5 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.5 t -156.12 157.0 35.25 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 104.369 -2.456 . . . . 37.560000000000002 104.369 -176.784 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.3 mm -99.56 126.83 52.84 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.93 0 C-N-CA 125.687 1.595 . . . . 26.370000000000001 106.827 166.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -97.56 -31.19 12.44 Favored 'General case' 0 C--N 1.309 -1.18 0 C-N-CA 124.829 1.252 . . . . 43.549999999999997 112.577 -170.36 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -163.35 163.22 25.21 Favored 'General case' 0 C--O 1.198 -1.618 0 N-CA-C 108.753 -0.832 . . . . 50.659999999999997 108.753 -168.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -128.66 140.05 51.95 Favored 'General case' 0 N--CA 1.44 -0.975 0 N-CA-C 105.64 -1.985 . . . . 25.010000000000002 105.64 177.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -138.63 168.78 19.04 Favored 'General case' 0 C--N 1.294 -1.816 0 CA-C-O 123.158 1.456 . . . . 22.550000000000001 110.156 168.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.4 t -111.06 133.7 55.77 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.77 0 O-C-N 120.932 -1.105 . . . . 33.350000000000001 110.541 171.26 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -151.41 141.3 21.98 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 112.562 0.579 . . . . 52.920000000000002 112.562 176.083 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.501 ' HB3' ' O ' ' A' ' 211' ' ' HOH . 6.7 ttpp 35.04 46.24 0.2 Allowed 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 125.222 1.409 . . . . 72.079999999999998 111.571 -164.117 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.08 11.97 53.38 Favored Glycine 0 C--O 1.229 -0.185 0 N-CA-C 116.057 1.183 . . . . 53.25 116.057 -177.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -107.17 146.39 31.4 Favored 'General case' 0 C--O 1.205 -1.273 0 CA-C-N 118.494 1.147 . . . . 56.280000000000001 112.043 167.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 63.3 t -75.73 133.31 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.925 0 N-CA-C 104.331 -2.47 . . . . 30.960000000000001 104.331 168.815 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -128.73 153.65 47.13 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 107.294 -1.372 . . . . 27.140000000000001 107.294 170.055 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -122.16 133.15 54.74 Favored 'General case' 0 CA--C 1.484 -1.563 0 CA-C-N 113.348 -1.751 . . . . 27.469999999999999 109.029 -172.223 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.2 tp -80.85 106.53 12.93 Favored 'General case' 0 C--O 1.198 -1.64 0 C-N-CA 120.244 -0.583 . . . . 16.600000000000001 110.07 178.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 71.4 t -93.1 122.09 44.32 Favored 'Isoleucine or valine' 0 C--O 1.243 0.726 0 CA-C-N 118.334 0.515 . . . . 14.74 112.079 -174.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -89.62 116.33 27.68 Favored 'General case' 0 CA--C 1.501 -0.934 0 N-CA-C 104.824 -2.287 . . . . 18.23 104.824 166.142 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -87.55 144.95 26.44 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-O 123.365 1.555 . . . . 13.4 110.249 -175.231 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -70.56 130.26 41.36 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 106.806 -1.553 . . . . 32.840000000000003 106.806 -178.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.96 6.78 81.79 Favored Glycine 0 N--CA 1.431 -1.644 0 O-C-N 120.355 -1.465 . . . . 15.82 115.206 178.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -132.66 125.6 19.54 Favored Pre-proline 0 C--N 1.352 0.702 0 N-CA-C 108.949 -0.76 . . . . 16.699999999999999 108.949 -179.45 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -52.13 159.49 4.04 Favored 'Trans proline' 0 N--CA 1.406 -3.661 0 N-CA-C 115.988 1.495 . . . . 16.370000000000001 115.988 175.226 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -55.73 -32.37 83.84 Favored 'Trans proline' 0 N--CA 1.446 -1.323 0 N-CA-C 115.834 1.436 . . . . 22.629999999999999 115.834 -175.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -61.04 -17.76 54.08 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 119.714 3.227 . . . . 21.969999999999999 119.714 177.239 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -95.9 9.22 41.33 Favored 'General case' 0 N--CA 1.405 -2.692 0 CA-C-N 113.205 -1.816 . . . . 16.52 113.92 176.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.5 m -61.55 146.04 50.06 Favored 'General case' 0 CA--C 1.554 1.131 0 N-CA-C 108.285 -1.006 . . . . 15.5 108.285 173.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 66.8 p -136.86 149.8 47.9 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 115.619 -0.719 . . . . 14.33 111.422 -178.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -83.92 127.05 33.58 Favored 'General case' 0 C--O 1.263 1.813 0 N-CA-C 107.889 -1.152 . . . . 17.920000000000002 107.889 178.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -126.94 134.08 25.73 Favored Pre-proline 0 C--O 1.195 -1.769 0 O-C-N 124.232 0.958 . . . . 15.279999999999999 111.202 -174.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -63.9 155.89 61.42 Favored 'Trans proline' 0 N--CA 1.431 -2.201 0 C-N-CA 117.905 -0.93 . . . . 18.149999999999999 112.3 171.174 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -62.44 -31.21 71.88 Favored 'General case' 0 N--CA 1.432 -1.33 0 N-CA-C 112.104 0.409 . . . . 34.68 112.104 -171.336 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.2 pm0 -65.5 -17.82 64.85 Favored 'General case' 0 N--CA 1.439 -0.98 0 N-CA-C 118.019 2.6 . . . . 40.640000000000001 118.019 176.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -77.54 -15.11 59.46 Favored 'General case' 0 C--O 1.203 -1.35 0 O-C-N 123.285 0.366 . . . . 15.609999999999999 111.793 175.302 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.0 mm -92.14 102.96 14.1 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 C-N-CA 119.499 -0.88 . . . . 19.760000000000002 111.712 -175.679 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.4 mt -82.45 -22.33 35.28 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-N 113.363 -1.744 . . . . 17.629999999999999 112.91 -160.482 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -97.87 103.86 19.06 Favored Pre-proline 0 CA--C 1.5 -0.973 0 N-CA-C 105.581 -2.007 . . . . 13.220000000000001 105.581 174.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.538 ' HB2' ' CE ' ' A' ' 49' ' ' MET . 12.9 Cg_endo -58.71 -19.24 45.0 Favored 'Trans proline' 0 CA--C 1.49 -1.71 0 N-CA-C 118.013 2.274 . . . . 15.76 118.013 177.314 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 55.3 ttt-85 -61.6 -28.39 69.32 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 118.85 -1.14 . . . . 32.140000000000001 112.587 177.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.5 mt -61.79 -44.64 96.47 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 123.304 1.526 . . . . 16.719999999999999 113.008 -179.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 43.7 t -67.67 -41.78 85.82 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.937 0 O-C-N 121.106 -0.996 . . . . 18.280000000000001 109.588 176.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' MET . . . . . 0.538 ' CE ' ' HB2' ' A' ' 45' ' ' PRO . 13.6 mtt -61.77 -38.07 86.66 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 117.796 0.271 . . . . 37.210000000000001 110.359 -179.789 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.36 -38.46 90.14 Favored 'General case' 0 N--CA 1.408 -2.556 0 O-C-N 121.536 -0.728 . . . . 19.120000000000001 112.105 -179.952 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -66.88 -45.59 77.59 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.637 -0.875 . . . . 36.0 108.637 175.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.575 ' OE2' ' H12' ' A' ' 102' ' ' EDO . 93.7 mt-10 -58.3 -37.05 74.27 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 118.164 -0.922 . . . . 22.52 113.053 179.44 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -60.32 -32.78 71.55 Favored 'General case' 0 N--CA 1.498 1.957 0 C-N-CA 124.965 1.306 . . . . 54.119999999999997 112.422 178.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.0 -8.86 53.28 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 115.301 1.593 . . . . 53.390000000000001 115.301 -179.332 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -75.79 111.16 10.85 Favored 'General case' 0 CA--C 1.568 1.665 0 CA-C-N 118.727 0.694 . . . . 32.329999999999998 110.955 174.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 . . . . . 0 N--CA 1.497 1.894 0 CA-C-O 114.063 -2.875 . . . . 64.700000000000003 110.117 176.647 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.181 -2.524 . . . . . . . . 13.65 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -104.47 163.51 12.4 Favored 'General case' 1 C--N 1.578 10.533 0 O-C-N 119.682 -1.886 . . . . 16.530000000000001 113.796 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -148.93 152.41 36.33 Favored 'General case' 0 N--CA 1.423 -1.784 0 O-C-N 124.635 1.21 . . . . 13.49 110.254 -179.361 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -70.41 146.26 50.5 Favored 'General case' 0 C--O 1.261 1.703 0 CA-C-O 122.182 0.991 . . . . 30.25 110.602 166.6 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 C--O 1.207 -1.135 0 C-N-CA 125.117 1.367 . . . . 21.34 111.789 -175.443 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 50.4 m -84.14 159.29 21.11 Favored 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 107.507 -1.294 . . . . 29.870000000000001 107.507 179.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.583 10.735 1 O-C-N 108.248 -9.032 . . . . 37.560000000000002 . . . . . . . . . . 2 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' EDO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' EDO . . . . . 0.575 ' H12' ' OE2' ' A' ' 52' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' EDO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' P33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . 0.501 ' O ' ' HB3' ' A' ' 17' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 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 ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_