data_1gzr_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 1gzr _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 ' B' B ' 3' ' ' GLU . . . . . 0.636 ' O ' ' CG ' ' B' ' 3' ' ' GLU . 1.8 tt0 . . . . . 0 N--CA 1.497 1.899 0 N-CA-C 111.689 0.255 . . . . 44.91 111.689 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 5.0 t -131.08 179.39 6.03 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-N 116.243 -0.435 . . . . 38.24 111.819 -165.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 87.4 mt -132.12 117.79 18.77 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 112.718 0.636 . . . . 30.06 112.718 -176.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 80.7 m -132.53 155.65 48.25 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-N 115.532 -0.758 . . . . 26.76 111.925 -174.475 -64.024 -73.818 92.355 107.948 2.032 110.496 65.855 168.98 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.18 -126.08 32.74 Favored Glycine 0 N--CA 1.439 -1.16 0 N-CA-C 108.955 -1.658 . . . . 24.99 108.955 165.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.84 -40.04 96.22 Favored 'General case' 0 C--O 1.218 -0.571 0 N-CA-C 113.187 0.81 . . . . 24.16 113.187 -173.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -62.7 -40.8 98.28 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.457 -0.571 . . . . 43.99 109.457 179.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 34.0 tp -63.25 -44.45 95.12 Favored 'General case' 0 C--O 1.206 -1.192 0 C-N-CA 120.321 -0.551 . . . . 23.39 110.973 178.965 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 78.2 t -63.44 -48.25 88.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 CA-C-O 122.447 1.118 . . . . 23.77 111.6 179.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.16 -47.7 62.06 Favored 'General case' 0 C--O 1.21 -0.992 0 O-C-N 121.584 -0.698 . . . . 30.03 111.628 171.595 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.9 -42.93 99.0 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 113.409 0.892 . . . . 23.98 113.409 177.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 52.6 mt -69.44 -36.04 76.27 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 109.365 -0.605 . . . . 25.35 109.365 -178.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -64.18 -38.38 90.86 Favored 'General case' 0 N--CA 1.486 1.34 0 CA-C-O 122.272 1.034 . . . . 36.62 108.937 179.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -77.62 -43.56 31.14 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 119.451 -0.9 . . . . 26.69 109.795 -173.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 23.5 t -70.07 -41.37 79.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.107 -0.497 . . . . 24.71 112.103 179.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' CYS . . . . . . . . . . . . . 73.6 m -83.98 -31.46 25.5 Favored 'General case' 0 C--O 1.248 0.988 0 N-CA-C 112.779 0.659 . . . . 25.14 112.779 -174.078 -63.133 -49.22 -80.394 109.383 2.029 106.657 -48.858 -59.764 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 54.65 -129.86 45.04 Favored Glycine 0 C--O 1.241 0.533 0 CA-C-N 115.411 -0.813 . . . . 29.41 112.609 -179.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -60.19 -27.84 67.48 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.884 0.698 . . . . 36.41 112.884 -173.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -68.96 -28.3 66.51 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.057 0.762 . . . . 37.12 113.057 -171.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.56 -177.37 54.3 Favored Glycine 0 C--O 1.222 -0.656 0 C-N-CA 120.916 -0.659 . . . . 27.59 113.623 -172.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -153.56 162.33 41.36 Favored 'General case' 0 C--O 1.248 0.994 0 O-C-N 121.897 -0.766 . . . . 31.7 109.212 -168.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 37.2 p90 -138.68 170.38 16.11 Favored 'General case' 0 N--CA 1.438 -1.051 0 N-CA-C 108.349 -0.982 . . . . 30.49 108.349 177.312 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -113.25 -24.85 9.15 Favored 'General case' 0 C--O 1.253 1.255 0 N-CA-C 114.625 1.343 . . . . 29.89 114.625 -168.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ASN . . . . . 0.452 ' N ' ' O3S' ' B' 1067 ' ' C15 . 95.1 m-20 -103.57 131.37 50.76 Favored 'General case' 0 CA--C 1.502 -0.869 0 N-CA-C 108.962 -0.755 . . . . 34.27 108.962 -175.983 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 16.4 tptm -79.23 139.13 56.07 Favored Pre-proline 0 C--O 1.217 -0.618 0 N-CA-C 106.434 -1.691 . . . . 37.2 106.434 -175.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -59.39 149.72 79.59 Favored 'Trans proline' 0 C--N 1.322 -0.855 0 C-N-CA 120.881 1.054 . . . . 27.65 109.583 -177.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 60.2 p -125.5 165.97 17.5 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 107.069 -1.456 . . . . 23.11 107.069 175.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -85.2 157.98 32.43 Favored Glycine 0 CA--C 1.548 2.15 0 CA-C-O 119.249 -0.751 . . . . 24.33 113.246 -175.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' TYR . . . . . 0.428 ' C ' ' CD1' ' B' ' 31' ' ' TYR . 1.8 t80 -76.98 136.01 38.72 Favored 'General case' 1 C--O 1.325 5.032 0 C-N-CA 116.028 -2.269 . . . . 26.64 109.82 -171.661 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 60.19 40.24 97.0 Favored Glycine 0 C--N 1.356 1.675 0 CA-C-N 112.733 -2.031 . . . . 29.26 111.058 -172.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 2.2 t -88.65 -150.51 0.19 Allowed 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 108.974 -0.75 . . . . 37.67 108.974 -176.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 2.4 p -83.05 145.17 29.44 Favored 'General case' 0 C--O 1.25 1.102 0 CA-C-N 116.016 -0.538 . . . . 38.1 109.744 157.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' SER . . . . . 0.446 ' OXT' ' N ' ' B' ' 39' ' ' PRO . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 N-CA-C 113.675 0.991 . . . . 42.4 113.675 175.963 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' PRO . . . . . 0.446 ' N ' ' OXT' ' B' ' 35' ' ' SER . 69.3 Cg_exo . . . . . 0 N--CA 1.484 0.965 0 N-CA-C 110.324 -0.683 . . . . 40.01 110.324 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.65 139.68 30.48 Favored 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 123.789 0.68 . . . . 40.0 111.568 -161.796 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 5.0 p -129.18 167.03 18.21 Favored 'General case' 0 CA--C 1.507 -0.696 0 N-CA-C 104.654 -2.35 . . . . 37.98 104.654 -173.777 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.3 -151.46 11.55 Favored Glycine 0 N--CA 1.439 -1.135 0 N-CA-C 104.773 -3.331 . . . . 30.06 104.773 -167.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 9.8 tt -73.5 -32.42 36.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 O-C-N 124.661 0.86 . . . . 29.07 111.209 -163.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 48.0 t -56.5 -45.65 82.1 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 N-CA-C 108.752 -0.832 . . . . 25.34 108.752 178.614 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -64.6 -39.94 94.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.26 -0.882 . . . . 33.48 110.705 -177.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -80.8 -34.27 34.17 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.385 1.254 . . . . 37.59 114.385 -172.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' CYS . . . . . . . . . . . . . 94.4 m -124.49 -20.34 5.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.435 -0.348 . . . . 26.63 110.619 -164.695 -66.198 -73.268 101.012 103.768 2.041 104.501 -152.464 70.657 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 12.5 t -103.93 -49.59 3.6 Favored 'General case' 0 C--O 1.245 0.829 0 C-N-CA 118.26 -1.376 . . . . 24.08 113.53 178.662 168.98 65.855 92.355 110.496 2.032 107.948 -73.818 -64.024 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 22.4 m-30 -72.48 -26.99 62.01 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.03 -0.73 . . . . 25.02 109.03 176.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 16.0 mtt85 -128.94 164.64 22.71 Favored 'General case' 0 C--O 1.243 0.722 0 N-CA-C 107.545 -1.279 . . . . 27.85 107.545 177.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 98.9 p -87.1 146.15 26.17 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 118.036 -1.466 . . . . 34.36 110.137 169.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 19.2 p -130.91 162.42 29.7 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.251 -1.389 . . . . 35.37 107.251 179.078 70.657 -152.464 101.012 104.501 2.041 103.768 -73.268 -66.198 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 55.1 p30 -97.32 171.81 8.18 Favored 'General case' 0 C--O 1.249 1.068 0 C-N-CA 119.205 -0.998 . . . . 36.68 113.368 174.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 41.3 tp -52.61 -39.64 61.87 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 115.916 -0.584 . . . . 25.08 112.397 179.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' ARG . . . . . 0.678 ' NH1' ' OE1' ' B' ' 58' ' ' GLU . 0.0 OUTLIER -71.67 -22.94 61.6 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 115.887 -2.325 . . . . 34.16 112.548 -175.123 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -74.75 -49.91 19.27 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 108.632 -0.877 . . . . 40.0 108.632 174.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 tt -54.11 -41.53 68.41 Favored 'General case' 0 C--O 1.257 1.49 0 CA-C-N 115.305 -0.862 . . . . 29.43 111.354 -176.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' GLU . . . . . 0.678 ' OE1' ' NH1' ' B' ' 55' ' ' ARG . 21.1 tt0 -72.12 -15.21 61.99 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 121.459 0.647 . . . . 33.85 110.636 -173.947 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' MET . . . . . . . . . . . . . 2.5 mtm -70.44 -9.73 57.23 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 118.808 -1.157 . . . . 38.29 111.415 172.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -96.47 4.86 51.84 Favored 'General case' 0 C--O 1.243 0.732 0 C-N-CA 118.363 -1.335 . . . . 28.68 113.881 174.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 84.6 m -70.86 138.14 49.98 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 120.084 -0.646 . . . . 25.96 109.879 168.35 -59.764 -48.858 -80.394 106.657 2.029 109.383 -49.22 -63.133 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.31 159.74 70.2 Favored Pre-proline 0 C--O 1.218 -0.595 0 N-CA-C 109.094 -0.706 . . . . 26.65 109.094 172.047 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -55.04 160.52 7.88 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 122.001 1.8 . . . . 35.73 113.704 -179.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.57 139.45 49.42 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.588 -1.187 . . . . 41.07 110.741 175.158 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' LYS . . . . . 0.666 ' CB ' ' CD ' ' B' ' 66' ' ' PRO . 0.6 OUTLIER -47.13 -91.52 0.0 OUTLIER Pre-proline 0 C--O 1.237 0.445 0 N-CA-C 113.819 1.044 . . . . 40.0 113.819 -177.209 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' PRO . . . . . 0.666 ' CD ' ' CB ' ' B' ' 65' ' ' LYS . 1.1 Cg_endo . . . . . 0 C--O 1.238 0.512 0 C-N-CA 121.849 1.7 . . . . 36.38 113.406 -157.799 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1067 ' ' C15 . . . . . 0.452 ' O3S' ' N ' ' B' ' 26' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2013 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2018 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2019 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2020 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2021 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2022 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2023 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2024 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2025 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2026 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2027 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2028 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2029 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2030 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 3' ' ' GLU . . . . . 0.844 ' HG3' ' O ' ' B' ' 3' ' ' GLU . 1.8 tt0 . . . . . 0 N--CA 1.497 1.899 0 N-CA-C 111.689 0.255 . . . . 44.91 111.689 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 5.0 t -131.08 179.39 6.03 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-N 116.243 -0.435 . . . . 38.24 111.819 -165.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 87.4 mt -132.12 117.79 18.77 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 112.718 0.636 . . . . 30.06 112.718 -176.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 80.7 m -132.53 155.65 48.25 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-N 115.532 -0.758 . . . . 26.76 111.925 -174.475 -64.024 -73.818 92.355 107.948 2.032 110.496 65.855 168.98 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.18 -126.08 32.74 Favored Glycine 0 N--CA 1.439 -1.16 0 N-CA-C 108.955 -1.658 . . . . 24.99 108.955 165.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.84 -40.04 96.22 Favored 'General case' 0 C--O 1.218 -0.571 0 N-CA-C 113.187 0.81 . . . . 24.16 113.187 -173.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -62.7 -40.8 98.28 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.457 -0.571 . . . . 43.99 109.457 179.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 34.0 tp -63.25 -44.45 95.12 Favored 'General case' 0 C--O 1.206 -1.192 0 C-N-CA 120.321 -0.551 . . . . 23.39 110.973 178.965 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 78.2 t -63.44 -48.25 88.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 CA-C-O 122.447 1.118 . . . . 23.77 111.6 179.647 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.16 -47.7 62.06 Favored 'General case' 0 C--O 1.21 -0.992 0 O-C-N 121.584 -0.698 . . . . 30.03 111.628 171.595 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.9 -42.93 99.0 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 113.409 0.892 . . . . 23.98 113.409 177.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 52.6 mt -69.44 -36.04 76.27 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 109.365 -0.605 . . . . 25.35 109.365 -178.263 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -64.18 -38.38 90.86 Favored 'General case' 0 N--CA 1.486 1.34 0 CA-C-O 122.272 1.034 . . . . 36.62 108.937 179.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -77.62 -43.56 31.14 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 119.451 -0.9 . . . . 26.69 109.795 -173.723 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 23.5 t -70.07 -41.37 79.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.107 -0.497 . . . . 24.71 112.103 179.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' CYS . . . . . . . . . . . . . 73.6 m -83.98 -31.46 25.5 Favored 'General case' 0 C--O 1.248 0.988 0 N-CA-C 112.779 0.659 . . . . 25.14 112.779 -174.078 -63.133 -49.22 -80.394 109.383 2.029 106.657 -48.858 -59.764 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 54.65 -129.86 45.04 Favored Glycine 0 C--O 1.241 0.533 0 CA-C-N 115.411 -0.813 . . . . 29.41 112.609 -179.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -60.19 -27.84 67.48 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.884 0.698 . . . . 36.41 112.884 -173.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -68.96 -28.3 66.51 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.057 0.762 . . . . 37.12 113.057 -171.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.56 -177.37 54.3 Favored Glycine 0 C--O 1.222 -0.656 0 C-N-CA 120.916 -0.659 . . . . 27.59 113.623 -172.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -153.56 162.33 41.36 Favored 'General case' 0 C--O 1.248 0.994 0 O-C-N 121.897 -0.766 . . . . 31.7 109.212 -168.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 37.2 p90 -138.68 170.38 16.11 Favored 'General case' 0 N--CA 1.438 -1.051 0 N-CA-C 108.349 -0.982 . . . . 30.49 108.349 177.312 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -113.25 -24.85 9.15 Favored 'General case' 0 C--O 1.253 1.255 0 N-CA-C 114.625 1.343 . . . . 29.89 114.625 -168.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ASN . . . . . 0.416 ' N ' ' O3S' ' B' 1067 ' ' C15 . 95.1 m-20 -103.57 131.37 50.76 Favored 'General case' 0 CA--C 1.502 -0.869 0 N-CA-C 108.962 -0.755 . . . . 34.27 108.962 -175.983 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 27' ' ' LYS . . . . . 0.572 ' HG3' ' HD2' ' B' ' 28' ' ' PRO . 16.4 tptm -79.23 139.13 56.07 Favored Pre-proline 0 C--O 1.217 -0.618 0 N-CA-C 106.434 -1.691 . . . . 37.2 106.434 -175.705 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 28' ' ' PRO . . . . . 0.572 ' HD2' ' HG3' ' B' ' 27' ' ' LYS . 17.2 Cg_exo -59.39 149.72 79.59 Favored 'Trans proline' 0 C--N 1.322 -0.855 0 C-N-CA 120.881 1.054 . . . . 27.65 109.583 -177.269 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 60.2 p -125.5 165.97 17.5 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 107.069 -1.456 . . . . 23.11 107.069 175.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' GLY . . . . . 0.777 ' O ' ' HB2' ' B' ' 33' ' ' SER . . . -85.2 157.98 32.43 Favored Glycine 0 CA--C 1.548 2.15 0 CA-C-O 119.249 -0.751 . . . . 24.33 113.246 -175.929 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 31' ' ' TYR . . . . . 0.428 ' C ' ' CD1' ' B' ' 31' ' ' TYR . 1.8 t80 -76.98 136.01 38.72 Favored 'General case' 1 C--O 1.325 5.032 0 C-N-CA 116.028 -2.269 . . . . 26.64 109.82 -171.661 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 60.19 40.24 97.0 Favored Glycine 0 C--N 1.356 1.675 0 CA-C-N 112.733 -2.031 . . . . 29.26 111.058 -172.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' SER . . . . . 0.777 ' HB2' ' O ' ' B' ' 30' ' ' GLY . 2.2 t -88.65 -150.51 0.19 Allowed 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 108.974 -0.75 . . . . 37.67 108.974 -176.797 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 2.4 p -83.05 145.17 29.44 Favored 'General case' 0 C--O 1.25 1.102 0 CA-C-N 116.016 -0.538 . . . . 38.1 109.744 157.366 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' SER . . . . . 0.446 ' OXT' ' N ' ' B' ' 39' ' ' PRO . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 N-CA-C 113.675 0.991 . . . . 42.4 113.675 175.963 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 39' ' ' PRO . . . . . 0.446 ' N ' ' OXT' ' B' ' 35' ' ' SER . 69.3 Cg_exo . . . . . 0 N--CA 1.484 0.965 0 N-CA-C 110.324 -0.683 . . . . 40.01 110.324 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.65 139.68 30.48 Favored 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 123.789 0.68 . . . . 40.0 111.568 -161.796 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 5.0 p -129.18 167.03 18.21 Favored 'General case' 0 CA--C 1.507 -0.696 0 N-CA-C 104.654 -2.35 . . . . 37.98 104.654 -173.777 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.3 -151.46 11.55 Favored Glycine 0 N--CA 1.439 -1.135 0 N-CA-C 104.773 -3.331 . . . . 30.06 104.773 -167.571 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' ILE . . . . . 0.405 HD12 ' CD1' ' B' ' 60' ' ' TYR . 9.8 tt -73.5 -32.42 36.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 O-C-N 124.661 0.86 . . . . 29.07 111.209 -163.767 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 48.0 t -56.5 -45.65 82.1 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 N-CA-C 108.752 -0.832 . . . . 25.34 108.752 178.614 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -64.6 -39.94 94.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.26 -0.882 . . . . 33.48 110.705 -177.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -80.8 -34.27 34.17 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.385 1.254 . . . . 37.59 114.385 -172.958 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' CYS . . . . . . . . . . . . . 94.4 m -124.49 -20.34 5.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.435 -0.348 . . . . 26.63 110.619 -164.695 -66.198 -73.268 101.012 103.768 2.041 104.501 -152.464 70.657 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 12.5 t -103.93 -49.59 3.6 Favored 'General case' 0 C--O 1.245 0.829 0 C-N-CA 118.26 -1.376 . . . . 24.08 113.53 178.662 168.98 65.855 92.355 110.496 2.032 107.948 -73.818 -64.024 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 22.4 m-30 -72.48 -26.99 62.01 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.03 -0.73 . . . . 25.02 109.03 176.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 16.0 mtt85 -128.94 164.64 22.71 Favored 'General case' 0 C--O 1.243 0.722 0 N-CA-C 107.545 -1.279 . . . . 27.85 107.545 177.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 98.9 p -87.1 146.15 26.17 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 118.036 -1.466 . . . . 34.36 110.137 169.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 19.2 p -130.91 162.42 29.7 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.251 -1.389 . . . . 35.37 107.251 179.078 70.657 -152.464 101.012 104.501 2.041 103.768 -73.268 -66.198 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 55.1 p30 -97.32 171.81 8.18 Favored 'General case' 0 C--O 1.249 1.068 0 C-N-CA 119.205 -0.998 . . . . 36.68 113.368 174.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 41.3 tp -52.61 -39.64 61.87 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 115.916 -0.584 . . . . 25.08 112.397 179.693 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' ARG . . . . . 0.678 ' NH1' ' OE1' ' B' ' 58' ' ' GLU . 0.0 OUTLIER -71.67 -22.94 61.6 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 115.887 -2.325 . . . . 34.16 112.548 -175.123 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -74.75 -49.91 19.27 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 108.632 -0.877 . . . . 40.0 108.632 174.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 tt -54.11 -41.53 68.41 Favored 'General case' 0 C--O 1.257 1.49 0 CA-C-N 115.305 -0.862 . . . . 29.43 111.354 -176.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' GLU . . . . . 0.678 ' OE1' ' NH1' ' B' ' 55' ' ' ARG . 21.1 tt0 -72.12 -15.21 61.99 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 121.459 0.647 . . . . 33.85 110.636 -173.947 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 59' ' ' MET . . . . . 0.541 ' HE3' ' NZ ' ' B' ' 27' ' ' LYS . 2.5 mtm -70.44 -9.73 57.23 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 118.808 -1.157 . . . . 38.29 111.415 172.993 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 60' ' ' TYR . . . . . 0.474 ' CZ ' ' HD3' ' B' ' 27' ' ' LYS . 87.3 m-85 -96.47 4.86 51.84 Favored 'General case' 0 C--O 1.243 0.732 0 C-N-CA 118.363 -1.335 . . . . 28.68 113.881 174.887 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 84.6 m -70.86 138.14 49.98 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 120.084 -0.646 . . . . 25.96 109.879 168.35 -59.764 -48.858 -80.394 106.657 2.029 109.383 -49.22 -63.133 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.31 159.74 70.2 Favored Pre-proline 0 C--O 1.218 -0.595 0 N-CA-C 109.094 -0.706 . . . . 26.65 109.094 172.047 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -55.04 160.52 7.88 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 122.001 1.8 . . . . 35.73 113.704 -179.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.57 139.45 49.42 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.588 -1.187 . . . . 41.07 110.741 175.158 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 65' ' ' LYS . . . . . 1.07 ' HB2' ' HD3' ' B' ' 66' ' ' PRO . 0.6 OUTLIER -47.13 -91.52 0.0 OUTLIER Pre-proline 0 C--O 1.237 0.445 0 N-CA-C 113.819 1.044 . . . . 40.0 113.819 -177.209 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 66' ' ' PRO . . . . . 1.07 ' HD3' ' HB2' ' B' ' 65' ' ' LYS . 1.1 Cg_endo . . . . . 0 C--O 1.238 0.512 0 C-N-CA 121.849 1.7 . . . . 36.38 113.406 -157.799 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1067 ' ' C15 . . . . . 0.42 H2C1 H161 ' B' 1067 ' ' C15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2013 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2018 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2019 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2020 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2021 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2022 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2023 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2024 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2025 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2026 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2027 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2028 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2029 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2030 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.844 ' HG3' ' O ' ' B' ' 3' ' ' GLU . 1.8 tt0 . . . . . 0 N--CA 1.497 1.899 0 N-CA-C 111.689 0.255 . . . . 44.91 111.689 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 5.0 t -131.08 179.39 6.03 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-N 116.243 -0.435 . . . . 38.24 111.819 -165.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 87.4 mt -132.12 117.79 18.77 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 112.718 0.636 . . . . 30.06 112.718 -176.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 80.7 m -132.53 155.65 48.25 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-N 115.532 -0.758 . . . . 26.76 111.925 -174.475 -64.024 -73.818 92.355 107.948 2.032 110.496 65.855 168.98 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.18 -126.08 32.74 Favored Glycine 0 N--CA 1.439 -1.16 0 N-CA-C 108.955 -1.658 . . . . 24.99 108.955 165.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.84 -40.04 96.22 Favored 'General case' 0 C--O 1.218 -0.571 0 N-CA-C 113.187 0.81 . . . . 24.16 113.187 -173.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -62.7 -40.8 98.28 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.457 -0.571 . . . . 43.99 109.457 179.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 34.0 tp -63.25 -44.45 95.12 Favored 'General case' 0 C--O 1.206 -1.192 0 C-N-CA 120.321 -0.551 . . . . 23.39 110.973 178.965 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 78.2 t -63.44 -48.25 88.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 CA-C-O 122.447 1.118 . . . . 23.77 111.6 179.647 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.16 -47.7 62.06 Favored 'General case' 0 C--O 1.21 -0.992 0 O-C-N 121.584 -0.698 . . . . 30.03 111.628 171.595 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.9 -42.93 99.0 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 113.409 0.892 . . . . 23.98 113.409 177.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 52.6 mt -69.44 -36.04 76.27 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 109.365 -0.605 . . . . 25.35 109.365 -178.263 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -64.18 -38.38 90.86 Favored 'General case' 0 N--CA 1.486 1.34 0 CA-C-O 122.272 1.034 . . . . 36.62 108.937 179.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -77.62 -43.56 31.14 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 119.451 -0.9 . . . . 26.69 109.795 -173.723 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 23.5 t -70.07 -41.37 79.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.107 -0.497 . . . . 24.71 112.103 179.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' CYS . . . . . . . . . . . . . 73.6 m -83.98 -31.46 25.5 Favored 'General case' 0 C--O 1.248 0.988 0 N-CA-C 112.779 0.659 . . . . 25.14 112.779 -174.078 -63.133 -49.22 -80.394 109.383 2.029 106.657 -48.858 -59.764 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 54.65 -129.86 45.04 Favored Glycine 0 C--O 1.241 0.533 0 CA-C-N 115.411 -0.813 . . . . 29.41 112.609 -179.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -60.19 -27.84 67.48 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.884 0.698 . . . . 36.41 112.884 -173.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -68.96 -28.3 66.51 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.057 0.762 . . . . 37.12 113.057 -171.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.56 -177.37 54.3 Favored Glycine 0 C--O 1.222 -0.656 0 C-N-CA 120.916 -0.659 . . . . 27.59 113.623 -172.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -153.56 162.33 41.36 Favored 'General case' 0 C--O 1.248 0.994 0 O-C-N 121.897 -0.766 . . . . 31.7 109.212 -168.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 37.2 p90 -138.68 170.38 16.11 Favored 'General case' 0 N--CA 1.438 -1.051 0 N-CA-C 108.349 -0.982 . . . . 30.49 108.349 177.312 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -113.25 -24.85 9.15 Favored 'General case' 0 C--O 1.253 1.255 0 N-CA-C 114.625 1.343 . . . . 29.89 114.625 -168.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ASN . . . . . 0.416 ' N ' ' O3S' ' B' 1067 ' ' C15 . 95.1 m-20 -103.57 131.37 50.76 Favored 'General case' 0 CA--C 1.502 -0.869 0 N-CA-C 108.962 -0.755 . . . . 34.27 108.962 -175.983 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.572 ' HG3' ' HD2' ' B' ' 28' ' ' PRO . 16.4 tptm -79.23 139.13 56.07 Favored Pre-proline 0 C--O 1.217 -0.618 0 N-CA-C 106.434 -1.691 . . . . 37.2 106.434 -175.705 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.572 ' HD2' ' HG3' ' B' ' 27' ' ' LYS . 17.2 Cg_exo -59.39 149.72 79.59 Favored 'Trans proline' 0 C--N 1.322 -0.855 0 C-N-CA 120.881 1.054 . . . . 27.65 109.583 -177.269 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 60.2 p -125.5 165.97 17.5 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 107.069 -1.456 . . . . 23.11 107.069 175.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' GLY . . . . . 0.777 ' O ' ' HB2' ' B' ' 33' ' ' SER . . . -85.2 157.98 32.43 Favored Glycine 0 CA--C 1.548 2.15 0 CA-C-O 119.249 -0.751 . . . . 24.33 113.246 -175.929 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' TYR . . . . . 0.428 ' C ' ' CD1' ' B' ' 31' ' ' TYR . 1.8 t80 -76.98 136.01 38.72 Favored 'General case' 1 C--O 1.325 5.032 0 C-N-CA 116.028 -2.269 . . . . 26.64 109.82 -171.661 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 60.19 40.24 97.0 Favored Glycine 0 C--N 1.356 1.675 0 CA-C-N 112.733 -2.031 . . . . 29.26 111.058 -172.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' SER . . . . . 0.777 ' HB2' ' O ' ' B' ' 30' ' ' GLY . 2.2 t -88.65 -150.51 0.19 Allowed 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 108.974 -0.75 . . . . 37.67 108.974 -176.797 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 2.4 p -83.05 145.17 29.44 Favored 'General case' 0 C--O 1.25 1.102 0 CA-C-N 116.016 -0.538 . . . . 38.1 109.744 157.366 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' SER . . . . . 0.446 ' OXT' ' N ' ' B' ' 39' ' ' PRO . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 N-CA-C 113.675 0.991 . . . . 42.4 113.675 175.963 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' PRO . . . . . 0.446 ' N ' ' OXT' ' B' ' 35' ' ' SER . 69.3 Cg_exo . . . . . 0 N--CA 1.484 0.965 0 N-CA-C 110.324 -0.683 . . . . 40.01 110.324 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.65 139.68 30.48 Favored 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 123.789 0.68 . . . . 40.0 111.568 -161.796 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 5.0 p -129.18 167.03 18.21 Favored 'General case' 0 CA--C 1.507 -0.696 0 N-CA-C 104.654 -2.35 . . . . 37.98 104.654 -173.777 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.3 -151.46 11.55 Favored Glycine 0 N--CA 1.439 -1.135 0 N-CA-C 104.773 -3.331 . . . . 30.06 104.773 -167.571 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.405 HD12 ' CD1' ' B' ' 60' ' ' TYR . 9.8 tt -73.5 -32.42 36.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 O-C-N 124.661 0.86 . . . . 29.07 111.209 -163.767 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 48.0 t -56.5 -45.65 82.1 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 N-CA-C 108.752 -0.832 . . . . 25.34 108.752 178.614 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -64.6 -39.94 94.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.26 -0.882 . . . . 33.48 110.705 -177.809 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -80.8 -34.27 34.17 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.385 1.254 . . . . 37.59 114.385 -172.958 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' CYS . . . . . . . . . . . . . 94.4 m -124.49 -20.34 5.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.435 -0.348 . . . . 26.63 110.619 -164.695 -66.198 -73.268 101.012 103.768 2.041 104.501 -152.464 70.657 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 12.5 t -103.93 -49.59 3.6 Favored 'General case' 0 C--O 1.245 0.829 0 C-N-CA 118.26 -1.376 . . . . 24.08 113.53 178.662 168.98 65.855 92.355 110.496 2.032 107.948 -73.818 -64.024 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 22.4 m-30 -72.48 -26.99 62.01 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.03 -0.73 . . . . 25.02 109.03 176.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 16.0 mtt85 -128.94 164.64 22.71 Favored 'General case' 0 C--O 1.243 0.722 0 N-CA-C 107.545 -1.279 . . . . 27.85 107.545 177.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 98.9 p -87.1 146.15 26.17 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 118.036 -1.466 . . . . 34.36 110.137 169.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 19.2 p -130.91 162.42 29.7 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.251 -1.389 . . . . 35.37 107.251 179.078 70.657 -152.464 101.012 104.501 2.041 103.768 -73.268 -66.198 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 55.1 p30 -97.32 171.81 8.18 Favored 'General case' 0 C--O 1.249 1.068 0 C-N-CA 119.205 -0.998 . . . . 36.68 113.368 174.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 41.3 tp -52.61 -39.64 61.87 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 115.916 -0.584 . . . . 25.08 112.397 179.693 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.678 ' NH1' ' OE1' ' B' ' 58' ' ' GLU . 0.0 OUTLIER -71.67 -22.94 61.6 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 115.887 -2.325 . . . . 34.16 112.548 -175.123 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -74.75 -49.91 19.27 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 108.632 -0.877 . . . . 40.0 108.632 174.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 tt -54.11 -41.53 68.41 Favored 'General case' 0 C--O 1.257 1.49 0 CA-C-N 115.305 -0.862 . . . . 29.43 111.354 -176.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.678 ' OE1' ' NH1' ' B' ' 55' ' ' ARG . 21.1 tt0 -72.12 -15.21 61.99 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 121.459 0.647 . . . . 33.85 110.636 -173.947 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' MET . . . . . 0.541 ' HE3' ' NZ ' ' B' ' 27' ' ' LYS . 2.5 mtm -70.44 -9.73 57.23 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 118.808 -1.157 . . . . 38.29 111.415 172.993 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' TYR . . . . . 0.474 ' CZ ' ' HD3' ' B' ' 27' ' ' LYS . 87.3 m-85 -96.47 4.86 51.84 Favored 'General case' 0 C--O 1.243 0.732 0 C-N-CA 118.363 -1.335 . . . . 28.68 113.881 174.887 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 84.6 m -70.86 138.14 49.98 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 120.084 -0.646 . . . . 25.96 109.879 168.35 -59.764 -48.858 -80.394 106.657 2.029 109.383 -49.22 -63.133 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.31 159.74 70.2 Favored Pre-proline 0 C--O 1.218 -0.595 0 N-CA-C 109.094 -0.706 . . . . 26.65 109.094 172.047 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -55.04 160.52 7.88 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 122.001 1.8 . . . . 35.73 113.704 -179.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.57 139.45 49.42 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.588 -1.187 . . . . 41.07 110.741 175.158 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' LYS . . . . . 1.07 ' HB2' ' HD3' ' B' ' 66' ' ' PRO . 0.6 OUTLIER -47.13 -91.52 0.0 OUTLIER Pre-proline 0 C--O 1.237 0.445 0 N-CA-C 113.819 1.044 . . . . 40.0 113.819 -177.209 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' PRO . . . . . 1.07 ' HD3' ' HB2' ' B' ' 65' ' ' LYS . 1.1 Cg_endo . . . . . 0 C--O 1.238 0.512 0 C-N-CA 121.849 1.7 . . . . 36.38 113.406 -157.799 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1067 ' ' C15 . . . . . 0.42 H2C1 H161 ' B' 1067 ' ' C15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2013 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2018 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2019 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2020 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2021 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2022 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2023 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2024 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2025 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2026 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2027 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2028 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2029 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2030 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_