data_3inc_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 3inc _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 N--CA 1.493 2.453 0 N-CA-C 106.473 -2.651 . . . . 29.5 106.473 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.0 tp -61.46 -41.19 89.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 N-CA-C 113.468 0.914 . . . . 31.52 113.468 -176.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.0 t -60.63 -45.63 97.08 Favored 'Isoleucine or valine' 0 C--O 1.254 1.314 0 O-C-N 123.67 0.606 . . . . 31.2 110.81 -176.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -71.02 -41.96 70.19 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 124.532 1.145 . . . . 33.58 110.499 -179.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -60.24 -50.03 75.27 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 114.747 1.388 . . . . 28.51 114.747 -179.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.4 m -57.49 -30.67 65.3 Favored 'General case' 0 C--O 1.253 1.247 0 CA-C-O 120.966 0.412 . . . . 22.64 111.798 177.859 -65.945 -72.529 109.875 104.435 2.003 102.45 -156.895 64.218 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.0 t -90.3 -43.36 10.41 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 112.849 0.685 . . . . 26.91 112.849 -174.115 -173.135 45.585 98.914 106.369 2.019 104.244 -79.616 -64.37 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.1 p -88.44 -31.01 19.01 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 119.27 -0.972 . . . . 31.24 110.646 -177.864 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.6 t -113.88 -103.96 0.4 Allowed 'General case' 0 CA--C 1.579 2.083 0 N-CA-C 115.858 1.799 . . . . 34.9 115.858 178.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.1 pt -163.73 158.39 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.501 -0.92 0 N-CA-C 102.983 -2.969 . . . . 31.37 102.983 172.527 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.7 p -149.95 160.56 43.51 Favored 'General case' 0 CA--C 1.501 -0.911 0 O-C-N 123.899 0.749 . . . . 25.04 109.351 178.098 64.218 -156.895 109.875 102.45 2.003 104.435 -72.529 -65.945 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 84.1 p -103.33 158.65 16.18 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 124.396 1.06 . . . . 21.84 110.305 -176.048 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.8 -26.87 68.82 Favored 'General case' 0 C--O 1.213 -0.868 0 C-N-CA 119.682 -0.807 . . . . 21.98 109.807 175.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -67.03 -41.28 86.88 Favored 'General case' 0 C--O 1.247 0.923 0 CA-C-O 118.449 -0.786 . . . . 28.6 111.91 178.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -62.37 -39.83 94.43 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 113.769 1.025 . . . . 30.59 113.769 169.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 73.5 mt -63.38 -33.67 76.04 Favored 'General case' 0 CA--C 1.558 1.274 0 CA-C-O 121.959 0.885 . . . . 25.4 111.548 178.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -60.43 -23.51 64.45 Favored 'General case' 0 CA--C 1.563 1.446 0 O-C-N 121.425 -0.797 . . . . 39.61 110.169 -178.182 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -67.43 -13.88 62.43 Favored 'General case' 0 CA--C 1.575 1.937 0 O-C-N 121.085 -1.01 . . . . 33.51 111.948 179.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -100.87 0.42 38.48 Favored 'General case' 0 CA--C 1.514 -0.404 0 O-C-N 121.722 -0.611 . . . . 35.99 112.585 -175.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 60.9 m -69.3 152.45 44.98 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 123.731 0.644 . . . . 28.21 109.342 174.151 -55.98 -44.439 -84.69 105.537 2.015 103.949 -61.338 -58.731 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . 0.568 ' CB ' ' O ' ' A' ' 32' ' ' HOH . 80.0 m-20 . . . . . 0 CA--C 1.501 -0.916 0 CA-C-O 122.432 1.11 . . . . 41.53 110.624 175.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 . . . . . 0 N--CA 1.512 2.631 0 CA-C-O 120.845 0.355 . . . . 33.9 111.421 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 22.2 m -96.42 159.98 2.92 Favored 'Isoleucine or valine' 0 C--O 1.275 2.417 0 N-CA-C 108.018 -1.104 . . . . 30.49 108.018 -173.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -71.59 160.04 33.37 Favored 'General case' 0 C--O 1.243 0.754 0 O-C-N 125.119 1.512 . . . . 34.37 113.927 170.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -131.61 135.35 46.89 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 124.664 1.227 . . . . 37.03 110.602 -160.3 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' HIS . . . . . 0.418 ' CE1' ' O ' ' B' ' 34' ' ' HOH . 16.9 t-160 -112.26 111.06 21.67 Favored 'General case' 0 C--O 1.249 1.067 0 N-CA-C 106.252 -1.758 . . . . 28.92 106.252 168.934 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 55.8 mt -135.27 117.47 15.52 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 114.064 1.135 . . . . 24.72 114.064 -166.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 84.3 m -123.26 147.2 47.19 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 124.235 1.014 . . . . 26.74 110.325 -178.499 -64.37 -79.616 98.914 104.244 2.019 106.369 45.585 -173.135 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.16 -143.54 48.7 Favored Glycine 0 C--O 1.277 2.782 0 CA-C-N 116.697 -0.229 . . . . 23.64 112.53 172.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 65.8 p -49.12 -28.5 4.32 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 114.605 1.335 . . . . 23.32 114.605 175.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -63.41 -36.34 83.41 Favored 'General case' 0 C--O 1.248 1.005 0 N-CA-C 113.177 0.806 . . . . 22.87 113.177 -179.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.0 tp -63.66 -40.18 96.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 124.136 0.897 . . . . 22.04 112.353 172.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 70.5 t -69.56 -38.02 75.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 O-C-N 120.714 -1.241 . . . . 24.7 108.186 -175.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -53.63 -50.48 65.61 Favored 'General case' 0 N--CA 1.436 -1.161 0 CA-C-N 115.697 -0.683 . . . . 32.45 112.025 171.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.98 -41.78 98.4 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.177 -0.465 . . . . 19.68 111.363 -179.522 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 27.2 mt -59.56 -46.14 89.77 Favored 'General case' 0 C--O 1.196 -1.752 0 C-N-CA 123.034 0.534 . . . . 20.8 111.744 178.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 92.8 t80 -57.32 -46.52 83.14 Favored 'General case' 0 C--O 1.251 1.173 0 O-C-N 125.176 1.547 . . . . 33.47 112.193 176.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 66.2 mt -63.97 -45.63 88.24 Favored 'General case' 0 N--CA 1.502 2.127 0 N-CA-C 116.047 1.869 . . . . 27.59 116.047 176.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 22.9 t -65.87 -40.75 88.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-N 113.51 -1.677 . . . . 23.92 110.306 -178.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 74.1 m -94.57 -34.33 12.69 Favored 'General case' 0 C--O 1.257 1.449 0 N-CA-C 114.981 1.475 . . . . 26.5 114.981 -172.406 -58.731 -61.338 -84.69 103.949 2.015 105.537 -44.439 -55.98 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 53.24 -116.93 6.21 Favored Glycine 0 N--CA 1.502 3.038 1 N-CA-C 95.966 -6.854 . . . . 40.92 95.966 -159.539 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . 0.323 0.1 OUTLIER -169.11 -40.96 0.02 OUTLIER 'General case' 0 N--CA 1.52 3.057 1 N-CA-C 83.296 -10.261 . . . . 51.98 83.296 -60.277 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 35.2 mtm180 -58.04 -28.37 64.43 Favored 'General case' 0 N--CA 1.417 -2.089 0 CA-C-N 112.912 -1.949 . . . . 40.97 107.014 161.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.89 174.94 31.07 Favored Glycine 0 C--O 1.25 1.122 0 C-N-CA 120.19 -1.005 . . . . 28.16 114.314 -164.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -156.74 164.57 37.97 Favored 'General case' 0 C--O 1.264 1.828 0 C-N-CA 124.408 1.083 . . . . 23.44 111.573 -175.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' PHE . . . . . 0.875 ' CD1' ' O ' ' A' ' 22' ' ' HOH . 4.3 m-85 -110.51 129.06 55.87 Favored 'General case' 0 C--O 1.214 -0.769 0 N-CA-C 107.486 -1.301 . . . . 40.31 107.486 172.034 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -98.66 113.43 25.49 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 107.634 -1.247 . . . . 25.4 107.634 173.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 19.1 m -134.36 76.15 62.94 Favored Pre-proline 0 CA--C 1.542 0.668 0 C-N-CA 119.2 -1.0 . . . . 33.99 113.324 -167.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -73.76 156.44 48.66 Favored 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 123.202 2.601 . . . . 32.28 111.286 -178.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.39 142.65 56.66 Favored 'General case' 0 C--O 1.264 1.841 0 CA-C-N 115.239 -0.891 . . . . 46.36 110.68 175.467 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 C--O 1.248 0.989 0 N-CA-C 115.243 1.572 . . . . 45.92 115.243 173.675 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.25 0 N-CA-C 103.447 -3.861 . . . . 31.8 103.447 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 18.7 tt -51.91 -38.58 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 N-CA-C 115.641 1.719 . . . . 29.14 115.641 175.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 71.2 t -64.82 -43.63 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 N-CA-C 109.074 -0.713 . . . . 30.21 109.074 -179.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 22.3 mp0 -68.76 -41.42 78.89 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.173 0.805 . . . . 35.55 113.173 177.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -69.81 -40.65 75.8 Favored 'General case' 0 C--O 1.249 1.03 0 C-N-CA 124.305 1.042 . . . . 47.48 111.615 -179.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 92.2 m -112.4 -22.51 10.82 Favored 'General case' 0 C--O 1.248 0.991 0 N-CA-C 117.11 2.263 . . . . 28.65 117.11 -169.873 -66.471 -76.763 103.053 102.972 2.049 101.724 -157.369 77.872 1 1 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 36.7 t -102.66 -55.79 2.37 Favored 'General case' 0 C--O 1.243 0.742 0 N-CA-C 112.795 0.665 . . . . 28.14 112.795 -179.674 174.375 64.196 97.683 106.147 2.004 103.576 -83.859 -57.356 1 1 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 16.6 m -67.25 -55.13 15.27 Favored 'General case' 0 CA--C 1.554 1.125 0 N-CA-C 107.071 -1.455 . . . . 32.05 107.071 -179.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 24.6 t -88.43 -162.93 0.89 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.337 0.655 . . . . 29.43 109.845 166.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 47.8 pt -121.15 153.76 24.74 Favored 'Isoleucine or valine' 0 C--O 1.257 1.457 0 C-N-CA 123.407 0.683 . . . . 32.86 110.441 177.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' CYS . . . . . 0.408 ' N ' ' O ' ' D' ' 44' ' ' HOH . 12.1 p -142.83 160.28 40.64 Favored 'General case' 0 C--O 1.247 0.961 0 C-N-CA 117.625 -1.63 . . . . 28.81 109.879 -178.935 77.872 -157.369 103.053 101.724 2.049 102.972 -76.763 -66.471 2 2 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' SER . . . . . 0.409 ' OG ' ' O ' ' C' ' 27' ' ' HOH . 56.0 p -92.43 162.53 14.2 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.023 -0.732 . . . . 32.1 109.023 179.307 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 12.5 mt -55.79 -31.84 62.98 Favored 'General case' 0 C--O 1.246 0.902 0 N-CA-C 112.249 0.463 . . . . 30.3 112.249 171.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -64.5 -42.31 95.9 Favored 'General case' 0 C--O 1.207 -1.168 0 N-CA-C 113.364 0.876 . . . . 48.7 113.364 172.127 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -59.09 -37.81 78.01 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 118.893 0.77 . . . . 40.66 110.192 174.641 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 15.3 mt -60.26 -29.63 68.91 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 114.263 1.209 . . . . 29.05 114.263 -177.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' GLU . . . . . 0.408 ' CG ' ' CG1' ' D' ' 18' ' ' VAL . 35.4 mt-10 -64.42 -13.68 52.65 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 113.222 0.823 . . . . 32.18 113.222 176.581 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -62.89 -21.31 65.91 Favored 'General case' 0 C--O 1.247 0.968 0 CA-C-O 121.489 0.662 . . . . 31.71 111.919 176.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -108.8 10.57 26.63 Favored 'General case' 0 C--O 1.205 -1.249 0 N-CA-C 113.681 0.993 . . . . 28.85 113.681 -177.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 58.6 m -66.28 134.94 53.68 Favored 'General case' 0 N--CA 1.511 2.602 0 N-CA-C 104.77 -2.307 . . . . 28.4 104.77 163.97 -54.854 -38.177 -87.373 108.149 2.022 105.649 -56.188 -64.545 1 1 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . 0.658 1.3 m-20 . . . . . 0 N--CA 1.479 0.999 1 N-CA-C 124.777 5.103 . . . . 36.09 124.777 122.119 . . . . . . . . 2 1 . 1 . 001 ecloud orig full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.736 0 N-CA-C 112.294 0.479 . . . . 52.47 112.294 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 2' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -89.24 150.03 3.84 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 CA-C-O 121.227 0.536 . . . . 52.67 112.391 165.7 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -58.23 169.92 0.77 Allowed 'General case' 0 C--O 1.257 1.464 0 N-CA-C 116.287 1.958 . . . . 49.11 116.287 179.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -115.91 160.42 20.23 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 115.174 1.546 . . . . 48.76 115.174 -177.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -82.95 131.13 35.2 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.453 0.701 . . . . 33.54 110.215 174.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 79.0 mt -127.98 112.54 14.76 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.568 1.147 . . . . 26.25 109.28 178.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 64.2 m -124.58 145.49 49.57 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 113.573 0.953 . . . . 29.21 113.573 -179.026 -57.356 -83.859 97.683 103.576 2.004 106.147 64.196 174.375 1 1 . 1 . 001 ecloud orig full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . 63.74 -131.99 40.56 Favored Glycine 0 C--O 1.216 -0.969 0 C-N-CA 120.373 -0.918 . . . . 22.11 111.613 165.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 88.5 p -63.2 -27.07 69.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 121.205 -1.173 . . . . 26.43 111.436 -177.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -71.71 -34.44 69.59 Favored 'General case' 0 C--O 1.247 0.921 0 C-N-CA 120.299 -0.56 . . . . 23.43 111.834 -179.089 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 11' ' ' LEU . . . . . . . . . . . . . 41.7 tp -64.52 -50.48 67.17 Favored 'General case' 0 C--O 1.206 -1.207 0 CA-C-N 114.924 -1.034 . . . . 21.38 111.16 174.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 16.8 m -64.53 -30.31 49.83 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.662 0 N-CA-C 116.036 1.865 . . . . 25.1 116.036 176.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -59.01 -45.41 90.76 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.563 1.074 . . . . 31.52 112.304 169.012 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.1 -42.67 93.78 Favored 'General case' 0 C--O 1.251 1.15 0 CA-C-N 115.216 -0.902 . . . . 19.68 109.717 178.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 47.0 mt -57.17 -44.44 83.53 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 119.121 -1.032 . . . . 20.55 113.228 172.275 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 16' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -59.06 -43.85 91.76 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-O 121.553 0.692 . . . . 26.79 111.201 176.377 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 12.0 tp -56.77 -52.66 64.16 Favored 'General case' 0 C--O 1.247 0.936 0 CA-C-N 115.212 -0.903 . . . . 31.27 110.564 -179.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 18' ' ' VAL . . . . . 0.678 ' CB ' ' O ' ' D' ' 49' ' ' HOH . 22.1 t -70.09 -38.62 75.53 Favored 'Isoleucine or valine' 0 C--O 1.256 1.421 0 O-C-N 124.645 1.215 . . . . 27.75 111.976 -172.51 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 86.3 m -96.95 -39.25 9.46 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 115.888 -0.596 . . . . 23.8 112.424 -168.137 -64.545 -56.188 -87.373 105.649 2.022 108.149 -38.177 -54.854 1 1 . 1 . 001 ecloud orig full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 52.6 -125.43 29.32 Favored Glycine 0 N--CA 1.471 1.009 0 N-CA-C 111.145 -0.782 . . . . 28.17 111.145 177.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.81 -16.95 63.36 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 113.622 0.971 . . . . 44.77 113.622 -174.223 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -62.81 -34.66 77.75 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-O 121.994 0.902 . . . . 31.95 109.964 172.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.56 178.27 49.43 Favored Glycine 0 N--CA 1.43 -1.714 0 N-CA-C 106.93 -2.468 . . . . 24.44 106.93 -179.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 24' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -161.93 172.27 16.29 Favored 'General case' 0 C--O 1.272 2.252 0 CA-C-O 121.772 0.796 . . . . 21.76 112.07 -176.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -125.5 138.63 53.99 Favored 'General case' 0 C--O 1.249 1.056 0 CA-C-N 114.68 -1.145 . . . . 24.99 108.156 170.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -114.71 105.85 13.53 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 106.014 -1.847 . . . . 25.43 106.014 175.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 27' ' ' THR . . . . . 0.545 ' CG2' ' ND2' ' A' ' 21' ' ' ASN . 29.3 p -132.35 77.18 71.0 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 119.125 -1.03 . . . . 26.8 110.675 -174.425 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 28' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -58.69 -28.11 85.39 Favored 'Trans proline' 0 CA--C 1.556 1.59 0 C-N-CA 123.292 2.661 . . . . 30.1 115.852 -178.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 29' ' ' LYS . . . . . 0.58 ' CG ' ' O ' ' B' ' 41' ' ' HOH . 5.1 ptmt -67.69 -19.87 65.22 Favored 'General case' 0 C--O 1.252 1.218 0 CA-C-O 121.748 0.785 . . . . 45.61 112.383 176.916 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 97.3 m . . . . . 0 C--O 1.247 0.953 0 CA-C-N 115.791 -0.64 . . . . 35.96 109.836 179.592 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 31' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' HOH . . . . . 0.875 ' O ' ' CD1' ' B' ' 25' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' HOH . . . . . 0.568 ' O ' ' CB ' ' A' ' 21' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' HOH . . . . . 0.418 ' O ' ' CE1' ' B' ' 5' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' HOH . . . . . 0.58 ' O ' ' CG ' ' D' ' 29' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 27' ' ' HOH . . . . . 0.409 ' O ' ' OG ' ' C' ' 12' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 44' ' ' HOH . . . . . 0.408 ' O ' ' N ' ' C' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 49' ' ' HOH . . . . . 0.678 ' O ' ' CB ' ' D' ' 18' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.453 0 N-CA-C 106.473 -2.651 . . . . 29.5 106.473 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.0 tp -61.46 -41.19 89.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 N-CA-C 113.468 0.914 . . . . 31.52 113.468 -176.581 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.0 t -60.63 -45.63 97.08 Favored 'Isoleucine or valine' 0 C--O 1.254 1.314 0 O-C-N 123.67 0.606 . . . . 31.2 110.81 -176.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -71.02 -41.96 70.19 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 124.532 1.145 . . . . 33.58 110.499 -179.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -60.24 -50.03 75.27 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 114.747 1.388 . . . . 28.51 114.747 -179.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.4 m -57.49 -30.67 65.3 Favored 'General case' 0 C--O 1.253 1.247 0 CA-C-O 120.966 0.412 . . . . 22.64 111.798 177.859 -65.945 -72.529 109.875 104.435 2.003 102.45 -156.895 64.218 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.0 t -90.3 -43.36 10.41 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 112.849 0.685 . . . . 26.91 112.849 -174.115 -173.135 45.585 98.914 106.369 2.019 104.244 -79.616 -64.37 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.1 p -88.44 -31.01 19.01 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 119.27 -0.972 . . . . 31.24 110.646 -177.864 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' SER . . . . . 0.551 ' O ' HG23 ' A' ' 10' ' ' ILE . 9.6 t -113.88 -103.96 0.4 Allowed 'General case' 0 CA--C 1.579 2.083 0 N-CA-C 115.858 1.799 . . . . 34.9 115.858 178.256 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ILE . . . . . 0.551 HG23 ' O ' ' A' ' 9' ' ' SER . 28.1 pt -163.73 158.39 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.501 -0.92 0 N-CA-C 102.983 -2.969 . . . . 31.37 102.983 172.527 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.7 p -149.95 160.56 43.51 Favored 'General case' 0 CA--C 1.501 -0.911 0 O-C-N 123.899 0.749 . . . . 25.04 109.351 178.098 64.218 -156.895 109.875 102.45 2.003 104.435 -72.529 -65.945 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 84.1 p -103.33 158.65 16.18 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 124.396 1.06 . . . . 21.84 110.305 -176.048 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.8 -26.87 68.82 Favored 'General case' 0 C--O 1.213 -0.868 0 C-N-CA 119.682 -0.807 . . . . 21.98 109.807 175.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -67.03 -41.28 86.88 Favored 'General case' 0 C--O 1.247 0.923 0 CA-C-O 118.449 -0.786 . . . . 28.6 111.91 178.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -62.37 -39.83 94.43 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 113.769 1.025 . . . . 30.59 113.769 169.253 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 73.5 mt -63.38 -33.67 76.04 Favored 'General case' 0 CA--C 1.558 1.274 0 CA-C-O 121.959 0.885 . . . . 25.4 111.548 178.477 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -60.43 -23.51 64.45 Favored 'General case' 0 CA--C 1.563 1.446 0 O-C-N 121.425 -0.797 . . . . 39.61 110.169 -178.182 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -67.43 -13.88 62.43 Favored 'General case' 0 CA--C 1.575 1.937 0 O-C-N 121.085 -1.01 . . . . 33.51 111.948 179.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -100.87 0.42 38.48 Favored 'General case' 0 CA--C 1.514 -0.404 0 O-C-N 121.722 -0.611 . . . . 35.99 112.585 -175.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 60.9 m -69.3 152.45 44.98 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 123.731 0.644 . . . . 28.21 109.342 174.151 -55.98 -44.439 -84.69 105.537 2.015 103.949 -61.338 -58.731 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . 0.955 ' ND2' HG22 ' D' ' 27' ' ' THR . 80.0 m-20 . . . . . 0 CA--C 1.501 -0.916 0 CA-C-O 122.432 1.11 . . . . 41.53 110.624 175.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 . . . . . 0 N--CA 1.512 2.631 0 CA-C-O 120.845 0.355 . . . . 33.9 111.421 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 22.2 m -96.42 159.98 2.92 Favored 'Isoleucine or valine' 0 C--O 1.275 2.417 0 N-CA-C 108.018 -1.104 . . . . 30.49 108.018 -173.915 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -71.59 160.04 33.37 Favored 'General case' 0 C--O 1.243 0.754 0 O-C-N 125.119 1.512 . . . . 34.37 113.927 170.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -131.61 135.35 46.89 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 124.664 1.227 . . . . 37.03 110.602 -160.3 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 5' ' ' HIS . . . . . 0.418 ' CE1' ' O ' ' B' ' 34' ' ' HOH . 16.9 t-160 -112.26 111.06 21.67 Favored 'General case' 0 C--O 1.249 1.067 0 N-CA-C 106.252 -1.758 . . . . 28.92 106.252 168.934 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 55.8 mt -135.27 117.47 15.52 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 114.064 1.135 . . . . 24.72 114.064 -166.401 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 84.3 m -123.26 147.2 47.19 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 124.235 1.014 . . . . 26.74 110.325 -178.499 -64.37 -79.616 98.914 104.244 2.019 106.369 45.585 -173.135 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.16 -143.54 48.7 Favored Glycine 0 C--O 1.277 2.782 0 CA-C-N 116.697 -0.229 . . . . 23.64 112.53 172.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 65.8 p -49.12 -28.5 4.32 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 114.605 1.335 . . . . 23.32 114.605 175.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -63.41 -36.34 83.41 Favored 'General case' 0 C--O 1.248 1.005 0 N-CA-C 113.177 0.806 . . . . 22.87 113.177 -179.441 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.0 tp -63.66 -40.18 96.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 124.136 0.897 . . . . 22.04 112.353 172.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 70.5 t -69.56 -38.02 75.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 O-C-N 120.714 -1.241 . . . . 24.7 108.186 -175.073 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -53.63 -50.48 65.61 Favored 'General case' 0 N--CA 1.436 -1.161 0 CA-C-N 115.697 -0.683 . . . . 32.45 112.025 171.097 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.98 -41.78 98.4 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.177 -0.465 . . . . 19.68 111.363 -179.522 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 27.2 mt -59.56 -46.14 89.77 Favored 'General case' 0 C--O 1.196 -1.752 0 C-N-CA 123.034 0.534 . . . . 20.8 111.744 178.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 92.8 t80 -57.32 -46.52 83.14 Favored 'General case' 0 C--O 1.251 1.173 0 O-C-N 125.176 1.547 . . . . 33.47 112.193 176.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 66.2 mt -63.97 -45.63 88.24 Favored 'General case' 0 N--CA 1.502 2.127 0 N-CA-C 116.047 1.869 . . . . 27.59 116.047 176.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 22.9 t -65.87 -40.75 88.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-N 113.51 -1.677 . . . . 23.92 110.306 -178.888 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 74.1 m -94.57 -34.33 12.69 Favored 'General case' 0 C--O 1.257 1.449 0 N-CA-C 114.981 1.475 . . . . 26.5 114.981 -172.406 -58.731 -61.338 -84.69 103.949 2.015 105.537 -44.439 -55.98 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 53.24 -116.93 6.21 Favored Glycine 0 N--CA 1.502 3.038 1 N-CA-C 95.966 -6.854 . . . . 40.92 95.966 -159.539 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 21' ' ' GLU . . . . . 0.596 ' N ' ' H ' ' B' ' 23' ' ' GLY 0.323 0.1 OUTLIER -169.11 -40.96 0.02 OUTLIER 'General case' 0 N--CA 1.52 3.057 1 N-CA-C 83.296 -10.261 . . . . 51.98 83.296 -60.277 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ARG . . . . . 0.558 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 35.2 mtm180 -58.04 -28.37 64.43 Favored 'General case' 0 N--CA 1.417 -2.089 0 CA-C-N 112.912 -1.949 . . . . 40.97 107.014 161.562 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLY . . . . . 0.596 ' H ' ' N ' ' B' ' 21' ' ' GLU . . . 73.89 174.94 31.07 Favored Glycine 0 C--O 1.25 1.122 0 C-N-CA 120.19 -1.005 . . . . 28.16 114.314 -164.622 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -156.74 164.57 37.97 Favored 'General case' 0 C--O 1.264 1.828 0 C-N-CA 124.408 1.083 . . . . 23.44 111.573 -175.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' PHE . . . . . 0.875 ' CD1' ' O ' ' A' ' 22' ' ' HOH . 4.3 m-85 -110.51 129.06 55.87 Favored 'General case' 0 C--O 1.214 -0.769 0 N-CA-C 107.486 -1.301 . . . . 40.31 107.486 172.034 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -98.66 113.43 25.49 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 107.634 -1.247 . . . . 25.4 107.634 173.305 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 19.1 m -134.36 76.15 62.94 Favored Pre-proline 0 CA--C 1.542 0.668 0 C-N-CA 119.2 -1.0 . . . . 33.99 113.324 -167.644 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -73.76 156.44 48.66 Favored 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 123.202 2.601 . . . . 32.28 111.286 -178.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.39 142.65 56.66 Favored 'General case' 0 C--O 1.264 1.841 0 CA-C-N 115.239 -0.891 . . . . 46.36 110.68 175.467 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 C--O 1.248 0.989 0 N-CA-C 115.243 1.572 . . . . 45.92 115.243 173.675 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.25 0 N-CA-C 103.447 -3.861 . . . . 31.8 103.447 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 2' ' ' ILE . . . . . 0.401 HG12 HD21 ' D' ' 11' ' ' LEU . 18.7 tt -51.91 -38.58 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 N-CA-C 115.641 1.719 . . . . 29.14 115.641 175.854 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 71.2 t -64.82 -43.63 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 N-CA-C 109.074 -0.713 . . . . 30.21 109.074 -179.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 22.3 mp0 -68.76 -41.42 78.89 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.173 0.805 . . . . 35.55 113.173 177.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -69.81 -40.65 75.8 Favored 'General case' 0 C--O 1.249 1.03 0 C-N-CA 124.305 1.042 . . . . 47.48 111.615 -179.188 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 92.2 m -112.4 -22.51 10.82 Favored 'General case' 0 C--O 1.248 0.991 0 N-CA-C 117.11 2.263 . . . . 28.65 117.11 -169.873 -66.471 -76.763 103.053 102.972 2.049 101.724 -157.369 77.872 1 1 . 1 . 001 ecloud build full ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 36.7 t -102.66 -55.79 2.37 Favored 'General case' 0 C--O 1.243 0.742 0 N-CA-C 112.795 0.665 . . . . 28.14 112.795 -179.674 174.375 64.196 97.683 106.147 2.004 103.576 -83.859 -57.356 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 16.6 m -67.25 -55.13 15.27 Favored 'General case' 0 CA--C 1.554 1.125 0 N-CA-C 107.071 -1.455 . . . . 32.05 107.071 -179.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 24.6 t -88.43 -162.93 0.89 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.337 0.655 . . . . 29.43 109.845 166.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 10' ' ' ILE . . . . . 0.565 HD12 ' HB2' ' D' ' 3' ' ' ASN . 47.8 pt -121.15 153.76 24.74 Favored 'Isoleucine or valine' 0 C--O 1.257 1.457 0 C-N-CA 123.407 0.683 . . . . 32.86 110.441 177.872 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 12.1 p -142.83 160.28 40.64 Favored 'General case' 0 C--O 1.247 0.961 0 C-N-CA 117.625 -1.63 . . . . 28.81 109.879 -178.935 77.872 -157.369 103.053 101.724 2.049 102.972 -76.763 -66.471 1 1 . 1 . 001 ecloud build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 56.0 p -92.43 162.53 14.2 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.023 -0.732 . . . . 32.1 109.023 179.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 12.5 mt -55.79 -31.84 62.98 Favored 'General case' 0 C--O 1.246 0.902 0 N-CA-C 112.249 0.463 . . . . 30.3 112.249 171.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -64.5 -42.31 95.9 Favored 'General case' 0 C--O 1.207 -1.168 0 N-CA-C 113.364 0.876 . . . . 48.7 113.364 172.127 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -59.09 -37.81 78.01 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 118.893 0.77 . . . . 40.66 110.192 174.641 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 15.3 mt -60.26 -29.63 68.91 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 114.263 1.209 . . . . 29.05 114.263 -177.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 17' ' ' GLU . . . . . 0.71 ' HG2' ' CG1' ' D' ' 18' ' ' VAL . 35.4 mt-10 -64.42 -13.68 52.65 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 113.222 0.823 . . . . 32.18 113.222 176.581 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -62.89 -21.31 65.91 Favored 'General case' 0 C--O 1.247 0.968 0 CA-C-O 121.489 0.662 . . . . 31.71 111.919 176.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -108.8 10.57 26.63 Favored 'General case' 0 C--O 1.205 -1.249 0 N-CA-C 113.681 0.993 . . . . 28.85 113.681 -177.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 58.6 m -66.28 134.94 53.68 Favored 'General case' 0 N--CA 1.511 2.602 0 N-CA-C 104.77 -2.307 . . . . 28.4 104.77 163.97 -54.854 -38.177 -87.373 108.149 2.022 105.649 -56.188 -64.545 1 1 . 1 . 001 ecloud build full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . 0.658 1.3 m-20 . . . . . 0 N--CA 1.479 0.999 1 N-CA-C 124.777 5.103 . . . . 36.09 124.777 122.119 . . . . . . . . 2 1 . 1 . 001 ecloud build full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.736 0 N-CA-C 112.294 0.479 . . . . 52.47 112.294 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 2' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -89.24 150.03 3.84 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 CA-C-O 121.227 0.536 . . . . 52.67 112.391 165.7 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 3' ' ' ASN . . . . . 0.565 ' HB2' HD12 ' C' ' 10' ' ' ILE . 93.4 m-20 -58.23 169.92 0.77 Allowed 'General case' 0 C--O 1.257 1.464 0 N-CA-C 116.287 1.958 . . . . 49.11 116.287 179.303 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -115.91 160.42 20.23 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 115.174 1.546 . . . . 48.76 115.174 -177.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -82.95 131.13 35.2 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.453 0.701 . . . . 33.54 110.215 174.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 79.0 mt -127.98 112.54 14.76 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.568 1.147 . . . . 26.25 109.28 178.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 64.2 m -124.58 145.49 49.57 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 113.573 0.953 . . . . 29.21 113.573 -179.026 -57.356 -83.859 97.683 103.576 2.004 106.147 64.196 174.375 1 1 . 1 . 001 ecloud build full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . 63.74 -131.99 40.56 Favored Glycine 0 C--O 1.216 -0.969 0 C-N-CA 120.373 -0.918 . . . . 22.11 111.613 165.42 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 88.5 p -63.2 -27.07 69.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 121.205 -1.173 . . . . 26.43 111.436 -177.215 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -71.71 -34.44 69.59 Favored 'General case' 0 C--O 1.247 0.921 0 C-N-CA 120.299 -0.56 . . . . 23.43 111.834 -179.089 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 11' ' ' LEU . . . . . 0.401 HD21 HG12 ' C' ' 2' ' ' ILE . 41.7 tp -64.52 -50.48 67.17 Favored 'General case' 0 C--O 1.206 -1.207 0 CA-C-N 114.924 -1.034 . . . . 21.38 111.16 174.947 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 16.8 m -64.53 -30.31 49.83 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.662 0 N-CA-C 116.036 1.865 . . . . 25.1 116.036 176.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -59.01 -45.41 90.76 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.563 1.074 . . . . 31.52 112.304 169.012 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.1 -42.67 93.78 Favored 'General case' 0 C--O 1.251 1.15 0 CA-C-N 115.216 -0.902 . . . . 19.68 109.717 178.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 15' ' ' LEU . . . . . 0.572 ' HA ' ' O ' ' D' ' 49' ' ' HOH . 47.0 mt -57.17 -44.44 83.53 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 119.121 -1.032 . . . . 20.55 113.228 172.275 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 16' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -59.06 -43.85 91.76 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-O 121.553 0.692 . . . . 26.79 111.201 176.377 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 12.0 tp -56.77 -52.66 64.16 Favored 'General case' 0 C--O 1.247 0.936 0 CA-C-N 115.212 -0.903 . . . . 31.27 110.564 -179.179 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 18' ' ' VAL . . . . . 1.032 ' HB ' ' O ' ' D' ' 49' ' ' HOH . 22.1 t -70.09 -38.62 75.53 Favored 'Isoleucine or valine' 0 C--O 1.256 1.421 0 O-C-N 124.645 1.215 . . . . 27.75 111.976 -172.51 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 86.3 m -96.95 -39.25 9.46 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 115.888 -0.596 . . . . 23.8 112.424 -168.137 -64.545 -56.188 -87.373 105.649 2.022 108.149 -38.177 -54.854 1 1 . 1 . 001 ecloud build full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 52.6 -125.43 29.32 Favored Glycine 0 N--CA 1.471 1.009 0 N-CA-C 111.145 -0.782 . . . . 28.17 111.145 177.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 21' ' ' GLU . . . . . 0.42 ' H ' ' HG3' ' D' ' 21' ' ' GLU . 0.0 OUTLIER -69.81 -16.95 63.36 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 113.622 0.971 . . . . 44.77 113.622 -174.223 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -62.81 -34.66 77.75 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-O 121.994 0.902 . . . . 31.95 109.964 172.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.56 178.27 49.43 Favored Glycine 0 N--CA 1.43 -1.714 0 N-CA-C 106.93 -2.468 . . . . 24.44 106.93 -179.461 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 24' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -161.93 172.27 16.29 Favored 'General case' 0 C--O 1.272 2.252 0 CA-C-O 121.772 0.796 . . . . 21.76 112.07 -176.187 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -125.5 138.63 53.99 Favored 'General case' 0 C--O 1.249 1.056 0 CA-C-N 114.68 -1.145 . . . . 24.99 108.156 170.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -114.71 105.85 13.53 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 106.014 -1.847 . . . . 25.43 106.014 175.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 27' ' ' THR . . . . . 0.955 HG22 ' ND2' ' A' ' 21' ' ' ASN . 29.3 p -132.35 77.18 71.0 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 119.125 -1.03 . . . . 26.8 110.675 -174.425 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 28' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -58.69 -28.11 85.39 Favored 'Trans proline' 0 CA--C 1.556 1.59 0 C-N-CA 123.292 2.661 . . . . 30.1 115.852 -178.416 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 29' ' ' LYS . . . . . 0.934 ' HG2' ' O ' ' B' ' 41' ' ' HOH . 5.1 ptmt -67.69 -19.87 65.22 Favored 'General case' 0 C--O 1.252 1.218 0 CA-C-O 121.748 0.785 . . . . 45.61 112.383 176.916 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 97.3 m . . . . . 0 C--O 1.247 0.953 0 CA-C-N 115.791 -0.64 . . . . 35.96 109.836 179.592 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 31' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 31' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 22' ' ' HOH . . . . . 0.875 ' O ' ' CD1' ' B' ' 25' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 32' ' ' HOH . . . . . 0.765 ' O ' ' HB3' ' A' ' 21' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 34' ' ' HOH . . . . . 0.418 ' O ' ' CE1' ' B' ' 5' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 41' ' ' HOH . . . . . 0.934 ' O ' ' HG2' ' D' ' 29' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 45' ' ' HOH . . . . . 0.42 ' O ' ' HA ' ' B' ' 21' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 49' ' ' HOH . . . . . 1.032 ' O ' ' HB ' ' D' ' 18' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.453 0 N-CA-C 106.473 -2.651 . . . . 29.5 106.473 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.0 tp -61.46 -41.19 89.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 N-CA-C 113.468 0.914 . . . . 31.52 113.468 -176.581 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.0 t -60.63 -45.63 97.08 Favored 'Isoleucine or valine' 0 C--O 1.254 1.314 0 O-C-N 123.67 0.606 . . . . 31.199999999999999 110.81 -176.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -71.02 -41.96 70.19 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 124.532 1.145 . . . . 33.579999999999998 110.499 -179.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -60.24 -50.03 75.27 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 114.747 1.388 . . . . 28.510000000000002 114.747 -179.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.4 m -57.49 -30.67 65.3 Favored 'General case' 0 C--O 1.253 1.247 0 CA-C-O 120.966 0.412 . . . . 22.640000000000001 111.798 177.859 -65.945 -72.529 109.875 104.435 2.003 102.45 -156.895 64.218 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.0 t -90.3 -43.36 10.41 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 112.849 0.685 . . . . 26.91 112.849 -174.115 -173.135 45.585 98.914 106.369 2.019 104.244 -79.616 -64.37 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.1 p -88.44 -31.01 19.01 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 119.27 -0.972 . . . . 31.239999999999998 110.646 -177.864 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' SER . . . . . 0.551 ' O ' HG23 ' A' ' 10' ' ' ILE . 9.6 t -113.88 -103.96 0.4 Allowed 'General case' 0 CA--C 1.579 2.083 0 N-CA-C 115.858 1.799 . . . . 34.899999999999999 115.858 178.256 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.551 HG23 ' O ' ' A' ' 9' ' ' SER . 28.1 pt -163.73 158.39 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.501 -0.92 0 N-CA-C 102.983 -2.969 . . . . 31.370000000000001 102.983 172.527 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.7 p -149.95 160.56 43.51 Favored 'General case' 0 CA--C 1.501 -0.911 0 O-C-N 123.899 0.749 . . . . 25.039999999999999 109.351 178.098 64.218 -156.895 109.875 102.45 2.003 104.435 -72.529 -65.945 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 84.1 p -103.33 158.65 16.18 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 124.396 1.06 . . . . 21.84 110.305 -176.048 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.8 -26.87 68.82 Favored 'General case' 0 C--O 1.213 -0.868 0 C-N-CA 119.682 -0.807 . . . . 21.98 109.807 175.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -67.03 -41.28 86.88 Favored 'General case' 0 C--O 1.247 0.923 0 CA-C-O 118.449 -0.786 . . . . 28.600000000000001 111.91 178.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -62.37 -39.83 94.43 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 113.769 1.025 . . . . 30.59 113.769 169.253 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 73.5 mt -63.38 -33.67 76.04 Favored 'General case' 0 CA--C 1.558 1.274 0 CA-C-O 121.959 0.885 . . . . 25.399999999999999 111.548 178.477 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -60.43 -23.51 64.45 Favored 'General case' 0 CA--C 1.563 1.446 0 O-C-N 121.425 -0.797 . . . . 39.609999999999999 110.169 -178.182 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -67.43 -13.88 62.43 Favored 'General case' 0 CA--C 1.575 1.937 0 O-C-N 121.085 -1.01 . . . . 33.509999999999998 111.948 179.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -100.87 0.42 38.48 Favored 'General case' 0 CA--C 1.514 -0.404 0 O-C-N 121.722 -0.611 . . . . 35.990000000000002 112.585 -175.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 60.9 m -69.3 152.45 44.98 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 123.731 0.644 . . . . 28.210000000000001 109.342 174.151 -55.98 -44.439 -84.69 105.537 2.015 103.949 -61.338 -58.731 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.955 ' ND2' HG22 ' D' ' 27' ' ' THR . 80.0 m-20 . . . . . 0 CA--C 1.501 -0.916 0 CA-C-O 122.432 1.11 . . . . 41.530000000000001 110.624 175.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 . . . . . 0 N--CA 1.512 2.631 0 CA-C-O 120.845 0.355 . . . . 33.899999999999999 111.421 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 22.2 m -96.42 159.98 2.92 Favored 'Isoleucine or valine' 0 C--O 1.275 2.417 0 N-CA-C 108.018 -1.104 . . . . 30.489999999999998 108.018 -173.915 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -71.59 160.04 33.37 Favored 'General case' 0 C--O 1.243 0.754 0 O-C-N 125.119 1.512 . . . . 34.369999999999997 113.927 170.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -131.61 135.35 46.89 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 124.664 1.227 . . . . 37.030000000000001 110.602 -160.3 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.418 ' CE1' ' O ' ' B' ' 34' ' ' HOH . 16.9 t-160 -112.26 111.06 21.67 Favored 'General case' 0 C--O 1.249 1.067 0 N-CA-C 106.252 -1.758 . . . . 28.920000000000002 106.252 168.934 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 55.8 mt -135.27 117.47 15.52 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 114.064 1.135 . . . . 24.719999999999999 114.064 -166.401 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 84.3 m -123.26 147.2 47.19 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 124.235 1.014 . . . . 26.739999999999998 110.325 -178.499 -64.37 -79.616 98.914 104.244 2.019 106.369 45.585 -173.135 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.16 -143.54 48.7 Favored Glycine 0 C--O 1.277 2.782 0 CA-C-N 116.697 -0.229 . . . . 23.640000000000001 112.53 172.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 65.8 p -49.12 -28.5 4.32 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 114.605 1.335 . . . . 23.32 114.605 175.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -63.41 -36.34 83.41 Favored 'General case' 0 C--O 1.248 1.005 0 N-CA-C 113.177 0.806 . . . . 22.870000000000001 113.177 -179.441 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 14.0 tp -63.66 -40.18 96.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 124.136 0.897 . . . . 22.039999999999999 112.353 172.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 70.5 t -69.56 -38.02 75.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 O-C-N 120.714 -1.241 . . . . 24.699999999999999 108.186 -175.073 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -53.63 -50.48 65.61 Favored 'General case' 0 N--CA 1.436 -1.161 0 CA-C-N 115.697 -0.683 . . . . 32.450000000000003 112.025 171.097 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.98 -41.78 98.4 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.177 -0.465 . . . . 19.68 111.363 -179.522 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 27.2 mt -59.56 -46.14 89.77 Favored 'General case' 0 C--O 1.196 -1.752 0 C-N-CA 123.034 0.534 . . . . 20.800000000000001 111.744 178.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 92.8 t80 -57.32 -46.52 83.14 Favored 'General case' 0 C--O 1.251 1.173 0 O-C-N 125.176 1.547 . . . . 33.469999999999999 112.193 176.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 66.2 mt -63.97 -45.63 88.24 Favored 'General case' 0 N--CA 1.502 2.127 0 N-CA-C 116.047 1.869 . . . . 27.59 116.047 176.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 22.9 t -65.87 -40.75 88.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-N 113.51 -1.677 . . . . 23.920000000000002 110.306 -178.888 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 74.1 m -94.57 -34.33 12.69 Favored 'General case' 0 C--O 1.257 1.449 0 N-CA-C 114.981 1.475 . . . . 26.5 114.981 -172.406 -58.731 -61.338 -84.69 103.949 2.015 105.537 -44.439 -55.98 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 53.24 -116.93 6.21 Favored Glycine 0 N--CA 1.502 3.038 1 N-CA-C 95.966 -6.854 . . . . 40.920000000000002 95.966 -159.539 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.596 ' N ' ' H ' ' B' ' 23' ' ' GLY 0.323 0.1 OUTLIER -169.11 -40.96 0.02 OUTLIER 'General case' 0 N--CA 1.52 3.057 1 N-CA-C 83.296 -10.261 . . . . 51.979999999999997 83.296 -60.277 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.558 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 35.2 mtm180 -58.04 -28.37 64.43 Favored 'General case' 0 N--CA 1.417 -2.089 0 CA-C-N 112.912 -1.949 . . . . 40.969999999999999 107.014 161.562 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.596 ' H ' ' N ' ' B' ' 21' ' ' GLU . . . 73.89 174.94 31.07 Favored Glycine 0 C--O 1.25 1.122 0 C-N-CA 120.19 -1.005 . . . . 28.16 114.314 -164.622 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -156.74 164.57 37.97 Favored 'General case' 0 C--O 1.264 1.828 0 C-N-CA 124.408 1.083 . . . . 23.440000000000001 111.573 -175.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' PHE . . . . . 0.875 ' CD1' ' O ' ' A' ' 22' ' ' HOH . 4.3 m-85 -110.51 129.06 55.87 Favored 'General case' 0 C--O 1.214 -0.769 0 N-CA-C 107.486 -1.301 . . . . 40.310000000000002 107.486 172.034 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -98.66 113.43 25.49 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 107.634 -1.247 . . . . 25.399999999999999 107.634 173.305 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 19.1 m -134.36 76.15 62.94 Favored Pre-proline 0 CA--C 1.542 0.668 0 C-N-CA 119.2 -1.0 . . . . 33.990000000000002 113.324 -167.644 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -73.76 156.44 48.66 Favored 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 123.202 2.601 . . . . 32.280000000000001 111.286 -178.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.39 142.65 56.66 Favored 'General case' 0 C--O 1.264 1.841 0 CA-C-N 115.239 -0.891 . . . . 46.359999999999999 110.68 175.467 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 C--O 1.248 0.989 0 N-CA-C 115.243 1.572 . . . . 45.920000000000002 115.243 173.675 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.25 0 N-CA-C 103.447 -3.861 . . . . 31.800000000000001 103.447 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' ILE . . . . . 0.401 HG12 HD21 ' D' ' 11' ' ' LEU . 18.7 tt -51.91 -38.58 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 N-CA-C 115.641 1.719 . . . . 29.140000000000001 115.641 175.854 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 71.2 t -64.82 -43.63 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 N-CA-C 109.074 -0.713 . . . . 30.210000000000001 109.074 -179.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 22.3 mp0 -68.76 -41.42 78.89 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.173 0.805 . . . . 35.549999999999997 113.173 177.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -69.81 -40.65 75.8 Favored 'General case' 0 C--O 1.249 1.03 0 C-N-CA 124.305 1.042 . . . . 47.479999999999997 111.615 -179.188 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 92.2 m -112.4 -22.51 10.82 Favored 'General case' 0 C--O 1.248 0.991 0 N-CA-C 117.11 2.263 . . . . 28.649999999999999 117.11 -169.873 -66.471 -76.763 103.053 102.972 2.049 101.724 -157.369 77.872 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 36.7 t -102.66 -55.79 2.37 Favored 'General case' 0 C--O 1.243 0.742 0 N-CA-C 112.795 0.665 . . . . 28.140000000000001 112.795 -179.674 174.375 64.196 97.683 106.147 2.004 103.576 -83.859 -57.356 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 16.6 m -67.25 -55.13 15.27 Favored 'General case' 0 CA--C 1.554 1.125 0 N-CA-C 107.071 -1.455 . . . . 32.049999999999997 107.071 -179.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 24.6 t -88.43 -162.93 0.89 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.337 0.655 . . . . 29.43 109.845 166.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.565 HD12 ' HB2' ' D' ' 3' ' ' ASN . 47.8 pt -121.15 153.76 24.74 Favored 'Isoleucine or valine' 0 C--O 1.257 1.457 0 C-N-CA 123.407 0.683 . . . . 32.859999999999999 110.441 177.872 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 12.1 p -142.83 160.28 40.64 Favored 'General case' 0 C--O 1.247 0.961 0 C-N-CA 117.625 -1.63 . . . . 28.809999999999999 109.879 -178.935 77.872 -157.369 103.053 101.724 2.049 102.972 -76.763 -66.471 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 56.0 p -92.43 162.53 14.2 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.023 -0.732 . . . . 32.100000000000001 109.023 179.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 12.5 mt -55.79 -31.84 62.98 Favored 'General case' 0 C--O 1.246 0.902 0 N-CA-C 112.249 0.463 . . . . 30.300000000000001 112.249 171.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -64.5 -42.31 95.9 Favored 'General case' 0 C--O 1.207 -1.168 0 N-CA-C 113.364 0.876 . . . . 48.700000000000003 113.364 172.127 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -59.09 -37.81 78.01 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 118.893 0.77 . . . . 40.659999999999997 110.192 174.641 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 15.3 mt -60.26 -29.63 68.91 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 114.263 1.209 . . . . 29.050000000000001 114.263 -177.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' GLU . . . . . 0.71 ' HG2' ' CG1' ' D' ' 18' ' ' VAL . 35.4 mt-10 -64.42 -13.68 52.65 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 113.222 0.823 . . . . 32.18 113.222 176.581 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -62.89 -21.31 65.91 Favored 'General case' 0 C--O 1.247 0.968 0 CA-C-O 121.489 0.662 . . . . 31.710000000000001 111.919 176.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -108.8 10.57 26.63 Favored 'General case' 0 C--O 1.205 -1.249 0 N-CA-C 113.681 0.993 . . . . 28.850000000000001 113.681 -177.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 58.6 m -66.28 134.94 53.68 Favored 'General case' 0 N--CA 1.511 2.602 0 N-CA-C 104.77 -2.307 . . . . 28.399999999999999 104.77 163.97 -54.854 -38.177 -87.373 108.149 2.022 105.649 -56.188 -64.545 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . 0.658 1.3 m-20 . . . . . 0 N--CA 1.479 0.999 1 N-CA-C 124.777 5.103 . . . . 36.090000000000003 124.777 122.119 . . . . . . . . 2 1 . 1 . 001 ecloud nobuild full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.736 0 N-CA-C 112.294 0.479 . . . . 52.469999999999999 112.294 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 2' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -89.24 150.03 3.84 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 CA-C-O 121.227 0.536 . . . . 52.670000000000002 112.391 165.7 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 3' ' ' ASN . . . . . 0.565 ' HB2' HD12 ' C' ' 10' ' ' ILE . 93.4 m-20 -58.23 169.92 0.77 Allowed 'General case' 0 C--O 1.257 1.464 0 N-CA-C 116.287 1.958 . . . . 49.109999999999999 116.287 179.303 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -115.91 160.42 20.23 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 115.174 1.546 . . . . 48.759999999999998 115.174 -177.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -82.95 131.13 35.2 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.453 0.701 . . . . 33.539999999999999 110.215 174.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 79.0 mt -127.98 112.54 14.76 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.568 1.147 . . . . 26.25 109.28 178.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 64.2 m -124.58 145.49 49.57 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 113.573 0.953 . . . . 29.210000000000001 113.573 -179.026 -57.356 -83.859 97.683 103.576 2.004 106.147 64.196 174.375 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . 63.74 -131.99 40.56 Favored Glycine 0 C--O 1.216 -0.969 0 C-N-CA 120.373 -0.918 . . . . 22.109999999999999 111.613 165.42 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 88.5 p -63.2 -27.07 69.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 121.205 -1.173 . . . . 26.43 111.436 -177.215 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -71.71 -34.44 69.59 Favored 'General case' 0 C--O 1.247 0.921 0 C-N-CA 120.299 -0.56 . . . . 23.43 111.834 -179.089 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 11' ' ' LEU . . . . . 0.401 HD21 HG12 ' C' ' 2' ' ' ILE . 41.7 tp -64.52 -50.48 67.17 Favored 'General case' 0 C--O 1.206 -1.207 0 CA-C-N 114.924 -1.034 . . . . 21.379999999999999 111.16 174.947 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 16.8 m -64.53 -30.31 49.83 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.662 0 N-CA-C 116.036 1.865 . . . . 25.100000000000001 116.036 176.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -59.01 -45.41 90.76 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.563 1.074 . . . . 31.52 112.304 169.012 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.1 -42.67 93.78 Favored 'General case' 0 C--O 1.251 1.15 0 CA-C-N 115.216 -0.902 . . . . 19.68 109.717 178.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 15' ' ' LEU . . . . . 0.572 ' HA ' ' O ' ' D' ' 49' ' ' HOH . 47.0 mt -57.17 -44.44 83.53 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 119.121 -1.032 . . . . 20.550000000000001 113.228 172.275 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 16' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -59.06 -43.85 91.76 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-O 121.553 0.692 . . . . 26.789999999999999 111.201 176.377 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 12.0 tp -56.77 -52.66 64.16 Favored 'General case' 0 C--O 1.247 0.936 0 CA-C-N 115.212 -0.903 . . . . 31.27 110.564 -179.179 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 18' ' ' VAL . . . . . 1.032 ' HB ' ' O ' ' D' ' 49' ' ' HOH . 22.1 t -70.09 -38.62 75.53 Favored 'Isoleucine or valine' 0 C--O 1.256 1.421 0 O-C-N 124.645 1.215 . . . . 27.75 111.976 -172.51 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 86.3 m -96.95 -39.25 9.46 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 115.888 -0.596 . . . . 23.800000000000001 112.424 -168.137 -64.545 -56.188 -87.373 105.649 2.022 108.149 -38.177 -54.854 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 52.6 -125.43 29.32 Favored Glycine 0 N--CA 1.471 1.009 0 N-CA-C 111.145 -0.782 . . . . 28.170000000000002 111.145 177.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 21' ' ' GLU . . . . . 0.42 ' H ' ' HG3' ' D' ' 21' ' ' GLU . 0.0 OUTLIER -69.81 -16.95 63.36 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 113.622 0.971 . . . . 44.770000000000003 113.622 -174.223 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -62.81 -34.66 77.75 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-O 121.994 0.902 . . . . 31.949999999999999 109.964 172.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.56 178.27 49.43 Favored Glycine 0 N--CA 1.43 -1.714 0 N-CA-C 106.93 -2.468 . . . . 24.440000000000001 106.93 -179.461 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 24' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -161.93 172.27 16.29 Favored 'General case' 0 C--O 1.272 2.252 0 CA-C-O 121.772 0.796 . . . . 21.760000000000002 112.07 -176.187 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -125.5 138.63 53.99 Favored 'General case' 0 C--O 1.249 1.056 0 CA-C-N 114.68 -1.145 . . . . 24.989999999999998 108.156 170.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -114.71 105.85 13.53 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 106.014 -1.847 . . . . 25.43 106.014 175.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 27' ' ' THR . . . . . 0.955 HG22 ' ND2' ' A' ' 21' ' ' ASN . 29.3 p -132.35 77.18 71.0 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 119.125 -1.03 . . . . 26.800000000000001 110.675 -174.425 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 28' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -58.69 -28.11 85.39 Favored 'Trans proline' 0 CA--C 1.556 1.59 0 C-N-CA 123.292 2.661 . . . . 30.100000000000001 115.852 -178.416 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 29' ' ' LYS . . . . . 0.934 ' HG2' ' O ' ' B' ' 41' ' ' HOH . 5.1 ptmt -67.69 -19.87 65.22 Favored 'General case' 0 C--O 1.252 1.218 0 CA-C-O 121.748 0.785 . . . . 45.609999999999999 112.383 176.916 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 97.3 m . . . . . 0 C--O 1.247 0.953 0 CA-C-N 115.791 -0.64 . . . . 35.960000000000001 109.836 179.592 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 31' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' HOH . . . . . 0.875 ' O ' ' CD1' ' B' ' 25' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' HOH . . . . . 0.765 ' O ' ' HB3' ' A' ' 21' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' HOH . . . . . 0.418 ' O ' ' CE1' ' B' ' 5' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' HOH . . . . . 0.934 ' O ' ' HG2' ' D' ' 29' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 45' ' ' HOH . . . . . 0.42 ' O ' ' HA ' ' B' ' 21' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 49' ' ' HOH . . . . . 1.032 ' O ' ' HB ' ' D' ' 18' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_