data_1ciq_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 1ciq _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 ' 2' ' ' LYS . . . . . . . . . . . . . 5.7 tptm . . . . . 0 N--CA 1.497 1.899 0 N-CA-C 103.14 -2.911 . . . . 37.28 103.14 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 44.4 p -113.45 -0.98 14.28 Favored 'General case' 0 N--CA 1.474 0.774 1 O-C-N 129.697 4.373 . . . . 31.39 114.031 -178.629 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -150.92 150.94 31.46 Favored 'General case' 0 C--O 1.208 -1.084 1 O-C-N 130.917 5.136 . . . . 46.76 111.094 -179.036 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 22.9 m-90 -127.17 69.05 73.51 Favored Pre-proline 0 C--N 1.298 -1.655 0 O-C-N 127.398 2.936 . . . . 20.78 114.773 -176.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_endo -63.73 -26.42 68.36 Favored 'Trans proline' 0 CA--C 1.5 -1.204 0 C-N-CA 123.403 2.735 . . . . 21.81 113.738 -176.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.0 pm0 -70.72 -3.79 20.42 Favored 'General case' 0 C--O 1.26 1.657 0 CA-C-O 114.781 -2.533 . . . . 30.17 110.796 177.164 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.2 mt -98.94 -7.79 26.51 Favored 'General case' 0 C--O 1.215 -0.728 0 CA-C-N 122.782 2.537 . . . . 17.47 113.122 -177.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.2 t -52.27 119.62 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.056 0 CA-C-O 113.8 -3.0 . . . . 17.7 112.189 178.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.06 -9.67 63.59 Favored Glycine 0 N--CA 1.437 -1.264 0 CA-C-N 124.882 3.492 . . . . 15.49 120.046 179.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.3 mmtm -93.35 159.33 15.31 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 106.392 -1.707 . . . . 42.19 106.392 -179.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' SER . . . . . 0.538 ' OG ' ' CG ' ' A' ' 15' ' ' GLU . 91.4 p -74.21 162.12 29.26 Favored 'General case' 0 C--N 1.313 -0.993 1 O-C-N 129.709 4.381 . . . . 17.27 112.727 179.792 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.2 t -56.08 -47.89 79.76 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 CA-C-N 111.962 -2.381 . . . . 20.6 108.723 177.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . . . -52.66 -47.58 67.05 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 123.493 2.86 . . . . 21.79 116.258 179.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLU . . . . . 0.538 ' CG ' ' OG ' ' A' ' 12' ' ' SER . 1.7 mt-10 -66.68 -45.31 79.29 Favored 'General case' 0 C--O 1.208 -1.105 0 C-N-CA 128.267 2.627 . . . . 47.6 104.808 179.984 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.85 -43.99 91.24 Favored 'General case' 0 C--O 1.254 1.32 0 C-N-CA 115.639 -2.425 . . . . 20.3 109.985 179.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.7 mtmt -57.51 -43.37 84.16 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 120.961 -1.087 . . . . 43.56 111.648 -179.339 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . 0.35 0.0 OUTLIER -66.93 -33.88 76.55 Favored 'General case' 0 C--O 1.261 1.67 0 O-C-N 126.806 2.566 . . . . 45.07 110.041 -177.416 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 39.0 t -72.87 -48.53 44.71 Favored 'Isoleucine or valine' 0 C--O 1.243 0.758 0 C-N-CA 117.226 -1.79 . . . . 22.91 111.509 179.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.2 mt -62.66 -36.55 75.73 Favored 'Isoleucine or valine' 0 C--O 1.246 0.896 0 CA-C-O 114.622 -2.609 . . . . 19.36 114.825 -177.489 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 33.9 mt -69.03 -24.89 64.25 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 114.992 -2.432 . . . . 25.81 110.559 -178.228 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -42.95 66.6 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 128.665 3.728 . . . . 50.88 108.675 177.884 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -84.94 -23.72 28.69 Favored 'General case' 0 C--N 1.314 -0.947 0 C-N-CA 125.865 1.666 . . . . 26.63 113.133 -178.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LYS . . . . . 0.618 ' NZ ' ' O ' ' A' ' 52' ' ' HOH 0.28 32.0 tttp -149.77 86.96 5.22 Favored Pre-proline 0 N--CA 1.48 1.07 0 C-N-CA 115.061 -2.655 . . . . 21.62 105.442 -176.136 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.71 -32.38 90.85 Favored 'Trans proline' 0 N--CA 1.441 -1.591 0 C-N-CA 125.13 3.887 . . . . 18.45 112.77 -178.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLU . . . . . 0.503 ' OE1' ' N ' ' A' ' 26' ' ' GLU . 21.2 pm0 -88.6 7.08 35.08 Favored 'General case' 0 N--CA 1.508 2.457 0 O-C-N 127.713 3.133 . . . . 16.11 114.109 -179.983 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.1 137.55 57.91 Favored 'General case' 0 C--N 1.36 1.036 0 N-CA-C 117.913 2.56 . . . . 16.73 117.913 -177.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -102.69 105.05 15.43 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 101.383 -3.562 . . . . 30.85 101.383 175.284 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.3 mm -83.8 118.36 31.09 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.083 0 C-N-CA 129.248 3.019 . . . . 22.93 110.916 -176.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ILE . . . . . 0.454 ' O ' ' N ' ' B' ' 49' ' ' LEU . 3.7 mm -113.58 126.19 70.99 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.214 0 C-N-CA 127.011 2.125 . . . . 20.69 106.622 178.246 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.4 t -114.04 107.21 22.34 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 C-N-CA 130.534 3.533 . . . . 17.33 112.027 -179.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.2 mt -125.64 152.48 72.12 Favored Pre-proline 0 C--N 1.303 -1.421 1 C-N-CA 131.836 4.054 . . . . 22.24 112.831 -178.608 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -70.05 139.25 38.76 Favored 'Trans proline' 0 C--N 1.316 -1.144 0 O-C-N 127.008 3.109 . . . . 20.7 107.864 176.084 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' VAL . . . . . 0.6 ' CG2' ' CB ' ' B' ' 58' ' ' ALA . 4.4 t -55.17 139.74 13.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 CA-C-O 113.543 -3.122 . . . . 25.8 105.423 178.714 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.32 -3.63 79.73 Favored Glycine 0 N--CA 1.432 -1.594 0 CA-C-O 115.607 -2.774 . . . . 29.17 114.254 179.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.2 m -69.29 126.18 28.97 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 103.675 -2.713 . . . . 33.89 103.675 178.22 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -77.04 123.22 33.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 1 O-C-N 130.104 4.627 . . . . 42.49 106.912 -178.162 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . 0.443 3.7 m . . . . . 0 C--O 1.274 2.374 2 CA-C-O 104.062 -7.637 . . . . 47.53 106.345 -178.962 . . . . . . . . 2 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . 0.311 10.9 pt-20 . . . . . 0 C--O 1.265 1.91 0 CA-C-O 114.83 -2.51 . . . . 32.27 107.708 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -84.13 109.77 17.98 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 122.934 2.606 . . . . 30.12 108.589 178.411 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' ARG . . . . . 0.616 ' CD ' ' O ' ' B' ' 82' ' ' HOH . 2.9 mmm180 -109.09 107.52 17.86 Favored 'General case' 0 C--N 1.306 -1.319 0 C-N-CA 126.441 1.896 . . . . 40.69 110.664 179.074 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 tp -55.46 -19.58 5.97 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 C-N-CA 128.371 2.669 . . . . 34.48 114.492 -177.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 19.7 p-10 -107.62 0.58 22.62 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 116.56 2.059 . . . . 35.84 116.56 -179.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 -93.74 142.74 27.02 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 124.727 1.211 . . . . 16.48 109.469 178.049 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 32.9 t -133.75 107.99 11.17 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 C-N-CA 125.611 1.565 . . . . 13.87 107.716 174.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 47.4 mtt180 -88.24 131.78 34.63 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 115.145 -2.622 . . . . 25.29 109.879 177.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 30' ' ' ILE . 65.4 mt -103.11 116.28 32.2 Favored 'General case' 0 C--O 1.207 -1.172 0 CA-C-N 114.134 -1.394 . . . . 14.97 108.422 176.591 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -97.69 109.81 22.49 Favored 'General case' 0 C--N 1.298 -1.648 1 O-C-N 115.902 -4.249 . . . . 17.39 106.422 177.304 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 33.7 m -98.85 150.84 4.81 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.98 1 C-N-CA 134.273 5.029 . . . . 16.29 114.979 -175.921 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -93.48 -175.17 3.71 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 105.351 -2.092 . . . . 18.74 105.351 -177.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.62 -21.65 64.55 Favored 'General case' 0 CA--C 1.498 -1.031 0 CA-C-O 115.621 -2.133 . . . . 29.46 111.771 -179.661 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 23.3 mt -103.16 13.06 34.92 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-N 121.754 2.07 . . . . 28.83 112.29 -178.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 58.51 44.63 17.61 Favored 'General case' 0 C--O 1.26 1.628 0 O-C-N 126.839 2.587 . . . . 35.34 114.468 -175.525 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -106.47 147.47 29.3 Favored 'General case' 0 N--CA 1.424 -1.77 0 CA-C-O 113.172 -3.299 . . . . 19.01 103.209 175.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 3.4 mm -66.12 122.81 17.81 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.127 0 O-C-N 125.969 2.043 . . . . 20.89 107.462 177.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' ALA . . . . . 0.6 ' CB ' ' CG2' ' A' ' 34' ' ' VAL . . . -91.45 -30.3 16.55 Favored 'General case' 0 C--O 1.262 1.741 0 C-N-CA 127.311 2.245 . . . . 14.27 114.64 -178.873 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -132.67 158.81 41.37 Favored 'General case' 0 CA--C 1.514 -0.436 0 O-C-N 120.649 -1.282 . . . . 30.24 111.04 -178.279 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 24.5 t -62.86 117.3 31.04 Favored Pre-proline 0 C--N 1.313 -0.985 0 CA-C-N 119.007 0.821 . . . . 16.26 110.011 -179.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -64.98 137.79 54.35 Favored 'Trans proline' 0 C--N 1.314 -1.276 0 O-C-N 125.434 2.281 . . . . 16.14 109.95 176.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 4.5 mtm-85 -141.97 148.25 38.29 Favored 'General case' 0 N--CA 1.423 -1.79 1 C-N-CA 135.402 5.481 . . . . 50.86 111.247 179.728 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 14.0 t -75.02 150.78 6.82 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 CA-C-O 112.762 -3.494 . . . . 20.04 109.501 -177.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.525 0 C-N-CA 114.863 -3.541 . . . . 14.58 105.273 177.992 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' HOH . . . . . 0.618 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' HOH . . . . . 0.616 ' O ' ' CD ' ' B' ' 43' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.7 tptm . . . . . 0 N--CA 1.497 1.899 0 N-CA-C 103.14 -2.911 . . . . 37.28 103.14 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 44.4 p -113.45 -0.98 14.28 Favored 'General case' 0 N--CA 1.474 0.774 1 O-C-N 129.697 4.373 . . . . 31.39 114.031 -178.629 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -150.92 150.94 31.46 Favored 'General case' 0 C--O 1.208 -1.084 1 O-C-N 130.917 5.136 . . . . 46.76 111.094 -179.036 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 22.9 m-90 -127.17 69.05 73.51 Favored Pre-proline 0 C--N 1.298 -1.655 0 O-C-N 127.398 2.936 . . . . 20.78 114.773 -176.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' PRO . . . . . 0.693 ' HA ' HG22 ' B' ' 60' ' ' VAL . 8.7 Cg_endo -63.73 -26.42 68.36 Favored 'Trans proline' 0 CA--C 1.5 -1.204 0 C-N-CA 123.403 2.735 . . . . 21.81 113.738 -176.921 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.0 pm0 -70.72 -3.79 20.42 Favored 'General case' 0 C--O 1.26 1.657 0 CA-C-O 114.781 -2.533 . . . . 30.17 110.796 177.164 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.2 mt -98.94 -7.79 26.51 Favored 'General case' 0 C--O 1.215 -0.728 0 CA-C-N 122.782 2.537 . . . . 17.47 113.122 -177.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.2 t -52.27 119.62 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.056 0 CA-C-O 113.8 -3.0 . . . . 17.7 112.189 178.125 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.06 -9.67 63.59 Favored Glycine 0 N--CA 1.437 -1.264 0 CA-C-N 124.882 3.492 . . . . 15.49 120.046 179.301 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.3 mmtm -93.35 159.33 15.31 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 106.392 -1.707 . . . . 42.19 106.392 -179.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' SER . . . . . 0.871 ' OG ' ' HG3' ' A' ' 15' ' ' GLU . 91.4 p -74.21 162.12 29.26 Favored 'General case' 0 C--N 1.313 -0.993 1 O-C-N 129.709 4.381 . . . . 17.27 112.727 179.792 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 13' ' ' VAL . . . . . 0.411 ' CG2' HG11 ' B' ' 51' ' ' VAL . 19.2 t -56.08 -47.89 79.76 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 CA-C-N 111.962 -2.381 . . . . 20.6 108.723 177.763 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . . . -52.66 -47.58 67.05 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 123.493 2.86 . . . . 21.79 116.258 179.442 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLU . . . . . 0.871 ' HG3' ' OG ' ' A' ' 12' ' ' SER . 1.7 mt-10 -66.68 -45.31 79.29 Favored 'General case' 0 C--O 1.208 -1.105 0 C-N-CA 128.267 2.627 . . . . 47.6 104.808 179.984 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.85 -43.99 91.24 Favored 'General case' 0 C--O 1.254 1.32 0 C-N-CA 115.639 -2.425 . . . . 20.3 109.985 179.768 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.7 mtmt -57.51 -43.37 84.16 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 120.961 -1.087 . . . . 43.56 111.648 -179.339 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . 0.35 0.0 OUTLIER -66.93 -33.88 76.55 Favored 'General case' 0 C--O 1.261 1.67 0 O-C-N 126.806 2.566 . . . . 45.07 110.041 -177.416 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 39.0 t -72.87 -48.53 44.71 Favored 'Isoleucine or valine' 0 C--O 1.243 0.758 0 C-N-CA 117.226 -1.79 . . . . 22.91 111.509 179.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.2 mt -62.66 -36.55 75.73 Favored 'Isoleucine or valine' 0 C--O 1.246 0.896 0 CA-C-O 114.622 -2.609 . . . . 19.36 114.825 -177.489 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 33.9 mt -69.03 -24.89 64.25 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 114.992 -2.432 . . . . 25.81 110.559 -178.228 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -42.95 66.6 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 128.665 3.728 . . . . 50.88 108.675 177.884 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -84.94 -23.72 28.69 Favored 'General case' 0 C--N 1.314 -0.947 0 C-N-CA 125.865 1.666 . . . . 26.63 113.133 -178.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . 0.28 32.0 tttp -149.77 86.96 5.22 Favored Pre-proline 0 N--CA 1.48 1.07 0 C-N-CA 115.061 -2.655 . . . . 21.62 105.442 -176.136 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.71 -32.38 90.85 Favored 'Trans proline' 0 N--CA 1.441 -1.591 0 C-N-CA 125.13 3.887 . . . . 18.45 112.77 -178.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.2 pm0 -88.6 7.08 35.08 Favored 'General case' 0 N--CA 1.508 2.457 0 O-C-N 127.713 3.133 . . . . 16.11 114.109 -179.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.1 137.55 57.91 Favored 'General case' 0 C--N 1.36 1.036 0 N-CA-C 117.913 2.56 . . . . 16.73 117.913 -177.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -102.69 105.05 15.43 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 101.383 -3.562 . . . . 30.85 101.383 175.284 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.3 mm -83.8 118.36 31.09 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.083 0 C-N-CA 129.248 3.019 . . . . 22.93 110.916 -176.159 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.7 mm -113.58 126.19 70.99 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.214 0 C-N-CA 127.011 2.125 . . . . 20.69 106.622 178.246 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.4 t -114.04 107.21 22.34 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 C-N-CA 130.534 3.533 . . . . 17.33 112.027 -179.287 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . 0.562 ' O ' ' HA ' ' B' ' 50' ' ' PHE . 20.2 mt -125.64 152.48 72.12 Favored Pre-proline 0 C--N 1.303 -1.421 1 C-N-CA 131.836 4.054 . . . . 22.24 112.831 -178.608 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 33' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 32' ' ' LEU . 53.2 Cg_exo -70.05 139.25 38.76 Favored 'Trans proline' 0 C--N 1.316 -1.144 0 O-C-N 127.008 3.109 . . . . 20.7 107.864 176.084 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' VAL . . . . . 0.68 HG21 ' CB ' ' B' ' 58' ' ' ALA . 4.4 t -55.17 139.74 13.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 CA-C-O 113.543 -3.122 . . . . 25.8 105.423 178.714 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.32 -3.63 79.73 Favored Glycine 0 N--CA 1.432 -1.594 0 CA-C-O 115.607 -2.774 . . . . 29.17 114.254 179.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.2 m -69.29 126.18 28.97 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 103.675 -2.713 . . . . 33.89 103.675 178.22 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -77.04 123.22 33.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 1 O-C-N 130.104 4.627 . . . . 42.49 106.912 -178.162 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . 0.443 3.7 m . . . . . 0 C--O 1.274 2.374 2 CA-C-O 104.062 -7.637 . . . . 47.53 106.345 -178.962 . . . . . . . . 2 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' GLU . . . . . 0.689 ' HG3' HH22 ' B' ' 46' ' ' ARG 0.311 10.9 pt-20 . . . . . 0 C--O 1.265 1.91 0 CA-C-O 114.83 -2.51 . . . . 32.27 107.708 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 42' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -84.13 109.77 17.98 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 122.934 2.606 . . . . 30.12 108.589 178.411 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' ARG . . . . . 0.616 ' CD ' ' O ' ' B' ' 82' ' ' HOH . 2.9 mmm180 -109.09 107.52 17.86 Favored 'General case' 0 C--N 1.306 -1.319 0 C-N-CA 126.441 1.896 . . . . 40.69 110.664 179.074 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 44' ' ' ILE . . . . . 0.695 ' O ' HG13 ' B' ' 44' ' ' ILE . 3.0 tp -55.46 -19.58 5.97 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 C-N-CA 128.371 2.669 . . . . 34.48 114.492 -177.903 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 19.7 p-10 -107.62 0.58 22.62 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 116.56 2.059 . . . . 35.84 116.56 -179.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' ARG . . . . . 0.689 HH22 ' HG3' ' B' ' 41' ' ' GLU . 35.9 ttp180 -93.74 142.74 27.02 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 124.727 1.211 . . . . 16.48 109.469 178.049 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 32.9 t -133.75 107.99 11.17 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 C-N-CA 125.611 1.565 . . . . 13.87 107.716 174.647 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 47.4 mtt180 -88.24 131.78 34.63 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 115.145 -2.622 . . . . 25.29 109.879 177.441 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 65.4 mt -103.11 116.28 32.2 Favored 'General case' 0 C--O 1.207 -1.172 0 CA-C-N 114.134 -1.394 . . . . 14.97 108.422 176.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' PHE . . . . . 0.562 ' HA ' ' O ' ' A' ' 32' ' ' LEU . 56.4 m-85 -97.69 109.81 22.49 Favored 'General case' 0 C--N 1.298 -1.648 1 O-C-N 115.902 -4.249 . . . . 17.39 106.422 177.304 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 51' ' ' VAL . . . . . 0.411 HG11 ' CG2' ' A' ' 13' ' ' VAL . 33.7 m -98.85 150.84 4.81 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.98 1 C-N-CA 134.273 5.029 . . . . 16.29 114.979 -175.921 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -93.48 -175.17 3.71 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 105.351 -2.092 . . . . 18.74 105.351 -177.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' LYS . . . . . 0.437 ' HE3' ' HB3' ' B' ' 53' ' ' LYS . 0.1 OUTLIER -61.62 -21.65 64.55 Favored 'General case' 0 CA--C 1.498 -1.031 0 CA-C-O 115.621 -2.133 . . . . 29.46 111.771 -179.661 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 23.3 mt -103.16 13.06 34.92 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-N 121.754 2.07 . . . . 28.83 112.29 -178.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 58.51 44.63 17.61 Favored 'General case' 0 C--O 1.26 1.628 0 O-C-N 126.839 2.587 . . . . 35.34 114.468 -175.525 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -106.47 147.47 29.3 Favored 'General case' 0 N--CA 1.424 -1.77 0 CA-C-O 113.172 -3.299 . . . . 19.01 103.209 175.34 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 3.4 mm -66.12 122.81 17.81 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.127 0 O-C-N 125.969 2.043 . . . . 20.89 107.462 177.791 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' ALA . . . . . 0.68 ' CB ' HG21 ' A' ' 34' ' ' VAL . . . -91.45 -30.3 16.55 Favored 'General case' 0 C--O 1.262 1.741 0 C-N-CA 127.311 2.245 . . . . 14.27 114.64 -178.873 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -132.67 158.81 41.37 Favored 'General case' 0 CA--C 1.514 -0.436 0 O-C-N 120.649 -1.282 . . . . 30.24 111.04 -178.279 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' VAL . . . . . 0.693 HG22 ' HA ' ' A' ' 6' ' ' PRO . 24.5 t -62.86 117.3 31.04 Favored Pre-proline 0 C--N 1.313 -0.985 0 CA-C-N 119.007 0.821 . . . . 16.26 110.011 -179.835 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -64.98 137.79 54.35 Favored 'Trans proline' 0 C--N 1.314 -1.276 0 O-C-N 125.434 2.281 . . . . 16.14 109.95 176.197 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 4.5 mtm-85 -141.97 148.25 38.29 Favored 'General case' 0 N--CA 1.423 -1.79 1 C-N-CA 135.402 5.481 . . . . 50.86 111.247 179.728 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 14.0 t -75.02 150.78 6.82 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 CA-C-O 112.762 -3.494 . . . . 20.04 109.501 -177.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.525 0 C-N-CA 114.863 -3.541 . . . . 14.58 105.273 177.992 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 82' ' ' HOH . . . . . 0.616 ' O ' ' CD ' ' B' ' 43' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.7 tptm . . . . . 0 N--CA 1.497 1.899 0 N-CA-C 103.14 -2.911 . . . . 37.28 103.14 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 44.4 p -113.45 -0.98 14.28 Favored 'General case' 0 N--CA 1.474 0.774 1 O-C-N 129.697 4.373 . . . . 31.39 114.031 -178.629 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -150.92 150.94 31.46 Favored 'General case' 0 C--O 1.208 -1.084 1 O-C-N 130.917 5.136 . . . . 46.76 111.094 -179.036 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 22.9 m-90 -127.17 69.05 73.51 Favored Pre-proline 0 C--N 1.298 -1.655 0 O-C-N 127.398 2.936 . . . . 20.78 114.773 -176.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.693 ' HA ' HG22 ' B' ' 60' ' ' VAL . 8.7 Cg_endo -63.73 -26.42 68.36 Favored 'Trans proline' 0 CA--C 1.5 -1.204 0 C-N-CA 123.403 2.735 . . . . 21.81 113.738 -176.921 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.0 pm0 -70.72 -3.79 20.42 Favored 'General case' 0 C--O 1.26 1.657 0 CA-C-O 114.781 -2.533 . . . . 30.17 110.796 177.164 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.2 mt -98.94 -7.79 26.51 Favored 'General case' 0 C--O 1.215 -0.728 0 CA-C-N 122.782 2.537 . . . . 17.47 113.122 -177.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.2 t -52.27 119.62 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.056 0 CA-C-O 113.8 -3.0 . . . . 17.7 112.189 178.125 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.06 -9.67 63.59 Favored Glycine 0 N--CA 1.437 -1.264 0 CA-C-N 124.882 3.492 . . . . 15.49 120.046 179.301 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.3 mmtm -93.35 159.33 15.31 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 106.392 -1.707 . . . . 42.19 106.392 -179.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' SER . . . . . 0.871 ' OG ' ' HG3' ' A' ' 15' ' ' GLU . 91.4 p -74.21 162.12 29.26 Favored 'General case' 0 C--N 1.313 -0.993 1 O-C-N 129.709 4.381 . . . . 17.27 112.727 179.792 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.411 ' CG2' HG11 ' B' ' 51' ' ' VAL . 19.2 t -56.08 -47.89 79.76 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 CA-C-N 111.962 -2.381 . . . . 20.6 108.723 177.763 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . . . -52.66 -47.58 67.05 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 123.493 2.86 . . . . 21.79 116.258 179.442 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.871 ' HG3' ' OG ' ' A' ' 12' ' ' SER . 1.7 mt-10 -66.68 -45.31 79.29 Favored 'General case' 0 C--O 1.208 -1.105 0 C-N-CA 128.267 2.627 . . . . 47.6 104.808 179.984 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.85 -43.99 91.24 Favored 'General case' 0 C--O 1.254 1.32 0 C-N-CA 115.639 -2.425 . . . . 20.3 109.985 179.768 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.7 mtmt -57.51 -43.37 84.16 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 120.961 -1.087 . . . . 43.56 111.648 -179.339 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . 0.35 0.0 OUTLIER -66.93 -33.88 76.55 Favored 'General case' 0 C--O 1.261 1.67 0 O-C-N 126.806 2.566 . . . . 45.07 110.041 -177.416 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 39.0 t -72.87 -48.53 44.71 Favored 'Isoleucine or valine' 0 C--O 1.243 0.758 0 C-N-CA 117.226 -1.79 . . . . 22.91 111.509 179.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.2 mt -62.66 -36.55 75.73 Favored 'Isoleucine or valine' 0 C--O 1.246 0.896 0 CA-C-O 114.622 -2.609 . . . . 19.36 114.825 -177.489 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 33.9 mt -69.03 -24.89 64.25 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 114.992 -2.432 . . . . 25.81 110.559 -178.228 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -42.95 66.6 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 128.665 3.728 . . . . 50.88 108.675 177.884 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -84.94 -23.72 28.69 Favored 'General case' 0 C--N 1.314 -0.947 0 C-N-CA 125.865 1.666 . . . . 26.63 113.133 -178.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . 0.28 32.0 tttp -149.77 86.96 5.22 Favored Pre-proline 0 N--CA 1.48 1.07 0 C-N-CA 115.061 -2.655 . . . . 21.62 105.442 -176.136 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.71 -32.38 90.85 Favored 'Trans proline' 0 N--CA 1.441 -1.591 0 C-N-CA 125.13 3.887 . . . . 18.45 112.77 -178.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.2 pm0 -88.6 7.08 35.08 Favored 'General case' 0 N--CA 1.508 2.457 0 O-C-N 127.713 3.133 . . . . 16.11 114.109 -179.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.1 137.55 57.91 Favored 'General case' 0 C--N 1.36 1.036 0 N-CA-C 117.913 2.56 . . . . 16.73 117.913 -177.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -102.69 105.05 15.43 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 101.383 -3.562 . . . . 30.85 101.383 175.284 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.3 mm -83.8 118.36 31.09 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.083 0 C-N-CA 129.248 3.019 . . . . 22.93 110.916 -176.159 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.7 mm -113.58 126.19 70.99 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.214 0 C-N-CA 127.011 2.125 . . . . 20.69 106.622 178.246 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.4 t -114.04 107.21 22.34 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 C-N-CA 130.534 3.533 . . . . 17.33 112.027 -179.287 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.562 ' O ' ' HA ' ' B' ' 50' ' ' PHE . 20.2 mt -125.64 152.48 72.12 Favored Pre-proline 0 C--N 1.303 -1.421 1 C-N-CA 131.836 4.054 . . . . 22.24 112.831 -178.608 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 32' ' ' LEU . 53.2 Cg_exo -70.05 139.25 38.76 Favored 'Trans proline' 0 C--N 1.316 -1.144 0 O-C-N 127.008 3.109 . . . . 20.7 107.864 176.084 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.68 HG21 ' CB ' ' B' ' 58' ' ' ALA . 4.4 t -55.17 139.74 13.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 CA-C-O 113.543 -3.122 . . . . 25.8 105.423 178.714 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.32 -3.63 79.73 Favored Glycine 0 N--CA 1.432 -1.594 0 CA-C-O 115.607 -2.774 . . . . 29.17 114.254 179.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.2 m -69.29 126.18 28.97 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 103.675 -2.713 . . . . 33.89 103.675 178.22 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -77.04 123.22 33.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 1 O-C-N 130.104 4.627 . . . . 42.49 106.912 -178.162 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . 0.443 3.7 m . . . . . 0 C--O 1.274 2.374 2 CA-C-O 104.062 -7.637 . . . . 47.53 106.345 -178.962 . . . . . . . . 2 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.689 ' HG3' HH22 ' B' ' 46' ' ' ARG 0.311 10.9 pt-20 . . . . . 0 C--O 1.265 1.91 0 CA-C-O 114.83 -2.51 . . . . 32.27 107.708 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -84.13 109.77 17.98 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 122.934 2.606 . . . . 30.12 108.589 178.411 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' ARG . . . . . 0.616 ' CD ' ' O ' ' B' ' 82' ' ' HOH . 2.9 mmm180 -109.09 107.52 17.86 Favored 'General case' 0 C--N 1.306 -1.319 0 C-N-CA 126.441 1.896 . . . . 40.69 110.664 179.074 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.695 ' O ' HG13 ' B' ' 44' ' ' ILE . 3.0 tp -55.46 -19.58 5.97 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 C-N-CA 128.371 2.669 . . . . 34.48 114.492 -177.903 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 19.7 p-10 -107.62 0.58 22.62 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 116.56 2.059 . . . . 35.84 116.56 -179.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.689 HH22 ' HG3' ' B' ' 41' ' ' GLU . 35.9 ttp180 -93.74 142.74 27.02 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 124.727 1.211 . . . . 16.48 109.469 178.049 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 32.9 t -133.75 107.99 11.17 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 C-N-CA 125.611 1.565 . . . . 13.87 107.716 174.647 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 47.4 mtt180 -88.24 131.78 34.63 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 115.145 -2.622 . . . . 25.29 109.879 177.441 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 65.4 mt -103.11 116.28 32.2 Favored 'General case' 0 C--O 1.207 -1.172 0 CA-C-N 114.134 -1.394 . . . . 14.97 108.422 176.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' PHE . . . . . 0.562 ' HA ' ' O ' ' A' ' 32' ' ' LEU . 56.4 m-85 -97.69 109.81 22.49 Favored 'General case' 0 C--N 1.298 -1.648 1 O-C-N 115.902 -4.249 . . . . 17.39 106.422 177.304 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.411 HG11 ' CG2' ' A' ' 13' ' ' VAL . 33.7 m -98.85 150.84 4.81 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.98 1 C-N-CA 134.273 5.029 . . . . 16.29 114.979 -175.921 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -93.48 -175.17 3.71 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 105.351 -2.092 . . . . 18.74 105.351 -177.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.437 ' HE3' ' HB3' ' B' ' 53' ' ' LYS . 0.1 OUTLIER -61.62 -21.65 64.55 Favored 'General case' 0 CA--C 1.498 -1.031 0 CA-C-O 115.621 -2.133 . . . . 29.46 111.771 -179.661 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 23.3 mt -103.16 13.06 34.92 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-N 121.754 2.07 . . . . 28.83 112.29 -178.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 58.51 44.63 17.61 Favored 'General case' 0 C--O 1.26 1.628 0 O-C-N 126.839 2.587 . . . . 35.34 114.468 -175.525 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -106.47 147.47 29.3 Favored 'General case' 0 N--CA 1.424 -1.77 0 CA-C-O 113.172 -3.299 . . . . 19.01 103.209 175.34 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 3.4 mm -66.12 122.81 17.81 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.127 0 O-C-N 125.969 2.043 . . . . 20.89 107.462 177.791 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' ALA . . . . . 0.68 ' CB ' HG21 ' A' ' 34' ' ' VAL . . . -91.45 -30.3 16.55 Favored 'General case' 0 C--O 1.262 1.741 0 C-N-CA 127.311 2.245 . . . . 14.27 114.64 -178.873 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -132.67 158.81 41.37 Favored 'General case' 0 CA--C 1.514 -0.436 0 O-C-N 120.649 -1.282 . . . . 30.24 111.04 -178.279 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.693 HG22 ' HA ' ' A' ' 6' ' ' PRO . 24.5 t -62.86 117.3 31.04 Favored Pre-proline 0 C--N 1.313 -0.985 0 CA-C-N 119.007 0.821 . . . . 16.26 110.011 -179.835 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -64.98 137.79 54.35 Favored 'Trans proline' 0 C--N 1.314 -1.276 0 O-C-N 125.434 2.281 . . . . 16.14 109.95 176.197 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 4.5 mtm-85 -141.97 148.25 38.29 Favored 'General case' 0 N--CA 1.423 -1.79 1 C-N-CA 135.402 5.481 . . . . 50.86 111.247 179.728 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 14.0 t -75.02 150.78 6.82 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 CA-C-O 112.762 -3.494 . . . . 20.04 109.501 -177.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.525 0 C-N-CA 114.863 -3.541 . . . . 14.58 105.273 177.992 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' HOH . . . . . 0.616 ' O ' ' CD ' ' B' ' 43' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_