data_4hwu_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 4hwu _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 ' 47' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo . . . . . 0 CA--C 1.53 0.294 0 CA-C-O 122.025 0.76 . . . . 20.6 111.882 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -100.93 148.08 25.41 Favored 'General case' 0 CA--C 1.505 -0.785 0 CA-C-N 114.822 -1.081 . . . . 33.96 109.229 -174.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.97 139.25 30.64 Favored 'General case' 0 CA--C 1.572 1.827 0 N-CA-C 114.183 1.179 . . . . 21.94 114.183 -179.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -125.95 120.51 30.56 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.519 -0.764 . . . . 31.03 109.335 177.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 94.6 t -101.14 132.05 47.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 C-N-CA 119.146 -1.022 . . . . 25.22 108.506 172.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 43.1 t -125.22 137.38 57.8 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.985 0 N-CA-C 105.636 -1.987 . . . . 27.65 105.636 177.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -83.47 144.45 46.17 Favored Pre-proline 0 N--CA 1.441 -0.903 0 N-CA-C 105.712 -1.959 . . . . 30.18 105.712 176.501 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -55.54 138.82 81.64 Favored 'Trans proline' 0 CA--C 1.535 0.54 0 C-N-CA 122.456 2.104 . . . . 28.52 111.048 179.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 90.77 -29.72 6.65 Favored Glycine 0 CA--C 1.52 0.347 0 CA-C-O 121.242 0.357 . . . . 31.13 113.06 -177.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -73.2 178.84 4.19 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 112.254 0.465 . . . . 36.21 112.254 -179.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.0 m -100.38 122.53 43.29 Favored 'General case' 0 CA--C 1.506 -0.72 0 N-CA-C 112.196 0.443 . . . . 26.03 112.196 -177.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 39.3 tp -78.81 120.69 23.8 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 123.673 0.608 . . . . 19.43 110.458 169.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -127.64 119.91 26.93 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 120.146 -0.622 . . . . 40.54 112.459 177.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 63.0 mt -118.66 149.03 42.1 Favored 'General case' 0 CA--C 1.508 -0.664 0 CA-C-N 115.682 -0.69 . . . . 8.7 110.421 177.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -129.98 118.97 22.43 Favored 'General case' 0 CA--C 1.508 -0.672 0 O-C-N 123.744 0.652 . . . . 21.95 110.786 -178.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.6 t -77.77 -143.51 0.03 OUTLIER 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 107.614 -1.254 . . . . 32.5 107.614 178.176 -154.269 71.275 96.892 89.332 2.05 102.214 104.66 67.545 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 4.9 ptp -123.62 161.81 24.28 Favored 'General case' 0 CA--C 1.507 -0.677 0 O-C-N 121.394 -0.816 . . . . 46.3 112.402 -169.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 20.9 mt -96.99 102.27 14.02 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-N 115.512 -0.767 . . . . 42.16 112.617 179.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' LYS . . . . . 0.695 ' NZ ' ' OD1' ' A' ' 114' ' ' ASP . 60.3 mtpt -128.6 123.74 34.09 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 107.561 -1.274 . . . . 48.41 107.561 175.633 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -58.56 135.33 57.3 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.468 -0.787 . . . . 61.49 109.814 174.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 67.89 10.17 7.62 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 114.06 1.133 . . . . 45.77 114.06 177.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -99.36 120.05 38.96 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 120.238 -0.585 . . . . 44.29 112.025 175.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.5 p -91.7 131.6 38.36 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 CA-C-O 121.907 0.86 . . . . 61.39 110.412 173.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.8 mp -90.92 128.98 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 CA-C-N 114.676 -1.147 . . . . 19.21 110.24 -169.81 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.8 p -122.54 139.76 53.54 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 119.949 -0.701 . . . . 11.15 109.873 172.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -111.11 140.77 45.39 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 114.139 1.163 . . . . 11.32 114.139 -174.248 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 76.3 p -128.6 152.06 48.76 Favored 'General case' 0 C--O 1.246 0.888 0 CA-C-N 115.628 -0.715 . . . . 9.39 109.14 171.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.5 tttp -121.38 122.03 38.93 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 107.553 -1.277 . . . . 21.11 107.553 168.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 50.79 39.0 21.13 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 112.767 0.654 . . . . 13.27 112.767 -176.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.81 -20.97 12.34 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 114.876 0.71 . . . . 5.15 114.876 179.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.5 t -86.27 143.43 11.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 N-CA-C 113.005 0.743 . . . . 8.5 113.005 179.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 52.8 t60 -69.69 134.56 48.81 Favored 'General case' 0 CA--C 1.5 -0.979 0 N-CA-C 115.23 1.567 . . . . 16.97 115.23 -174.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 93.8 mt -108.7 129.74 55.35 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.478 1.111 . . . . 9.73 108.869 174.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -126.16 -176.3 14.46 Favored Glycine 0 C--O 1.24 0.487 0 N-CA-C 108.551 -1.82 . . . . 18.83 108.551 173.239 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -69.35 136.69 34.75 Favored 'Trans proline' 0 N--CA 1.472 0.247 1 C-N-CA 125.729 4.286 . . . . 19.29 114.27 177.909 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 43.9 p30 -148.18 -159.36 1.02 Allowed 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 112.341 0.497 . . . . 33.69 112.341 168.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 49.3 m-20 -71.43 -22.44 61.84 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 119.921 -0.711 . . . . 66.61 111.498 -172.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ARG . . . . . 0.721 ' NH2' ' OD2' ' A' ' 101' ' ' ASP . 6.8 ptm180 -116.86 2.02 12.76 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.52 -0.764 . . . . 54.62 111.763 179.301 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.4 m -121.67 129.73 52.97 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 119.719 -0.792 . . . . 22.02 110.748 -177.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 64.7 t -129.19 134.94 63.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 108.308 -0.997 . . . . 10.52 108.308 175.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.7 mp -122.49 121.51 36.74 Favored 'General case' 0 CA--C 1.488 -1.43 0 N-CA-C 106.983 -1.488 . . . . 26.32 106.983 178.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 15.6 tt -152.29 129.52 2.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 C-N-CA 118.399 -1.321 . . . . 24.06 113.008 -178.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 61.13 -116.02 8.73 Favored Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 106.751 -2.54 . . . . 20.35 106.751 -174.047 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 25.4 pm0 -113.22 21.01 15.71 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.139 -0.689 . . . . 32.52 109.139 -177.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -111.52 148.27 33.57 Favored 'General case' 0 CA--C 1.491 -1.296 0 N-CA-C 113.281 0.845 . . . . 40.48 113.281 -171.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -130.57 121.14 25.15 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 113.901 -1.5 . . . . 14.9 106.991 175.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -123.02 132.75 54.26 Favored 'General case' 0 C--O 1.248 1.013 0 CA-C-O 121.462 0.648 . . . . 23.99 111.627 175.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 90.9 mt -129.18 116.83 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 N-CA-C 108.014 -1.106 . . . . 28.05 108.014 171.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -100.23 147.66 25.49 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 109.401 -0.592 . . . . 34.22 109.401 179.214 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 83.86 49.19 4.9 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.427 -0.892 . . . . 39.17 111.067 -177.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.88 128.39 36.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.766 0.317 . . . . 28.29 111.45 -178.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 43.9 p -123.02 155.8 63.59 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 107.056 -1.461 . . . . 39.91 107.056 172.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -57.37 -19.54 35.85 Favored 'Trans proline' 0 C--O 1.218 -0.521 0 N-CA-C 115.642 1.362 . . . . 39.78 115.642 -174.049 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 30.9 ptt-85 -89.37 2.87 53.82 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 119.47 -0.892 . . . . 205.6 108.68 179.527 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ASP . . . . . 0.721 ' OD2' ' NH2' ' A' ' 84' ' ' ARG . 14.9 m-20 -83.55 -9.01 59.22 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 108.083 -1.08 . . . . 36.42 108.083 170.361 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 66.2 m -65.34 153.04 42.33 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 107.754 -1.202 . . . . 28.43 107.754 175.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 153.08 -178.81 29.96 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 121.186 -0.531 . . . . 7.85 113.548 -178.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.46 105.18 17.22 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 121.32 0.581 . . . . 8.75 110.062 179.382 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -92.91 153.29 18.88 Favored 'General case' 0 CA--C 1.506 -0.715 0 C-N-CA 119.559 -0.857 . . . . 8.24 108.751 179.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -152.69 145.07 24.02 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.653 -0.869 . . . . 11.61 108.653 174.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 24.5 p -119.5 136.24 54.42 Favored 'General case' 0 N--CA 1.437 -1.114 0 N-CA-C 106.752 -1.573 . . . . 11.58 106.752 174.285 67.545 104.66 96.892 102.214 2.05 89.332 71.275 -154.269 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.84 123.66 43.12 Favored 'General case' 0 N--CA 1.438 -1.063 0 N-CA-C 102.807 -3.034 . . . . 12.35 102.807 178.885 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -95.21 106.72 18.77 Favored 'General case' 0 C--O 1.248 0.984 0 N-CA-C 106.051 -1.833 . . . . 26.76 106.051 172.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -109.96 133.4 53.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.787 0.803 . . . . 40.45 112.326 178.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.59 178.3 5.74 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 106.043 -1.836 . . . . 62.67 106.043 167.422 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.1 p -55.28 -46.79 76.15 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.226 0.454 . . . . 87.85 112.226 179.064 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -69.25 -49.21 63.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 N-CA-C 113.485 0.92 . . . . 68.69 113.485 -176.908 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' ASP . . . . . 0.695 ' OD1' ' NZ ' ' A' ' 65' ' ' LYS . 3.4 p30 -140.51 -177.75 5.19 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.458 -0.337 . . . . 69.23 111.706 -169.659 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.8 t -159.61 88.67 0.86 Allowed 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 108.676 -0.861 . . . . 50.11 108.676 -175.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -92.63 151.34 20.17 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 122.924 0.49 . . . . 43.31 111.106 -176.824 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 31.3 m -141.99 136.64 30.5 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.689 1.366 . . . . 15.06 114.689 -168.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 46.9 m0 -123.39 142.47 50.94 Favored 'General case' 0 CA--C 1.502 -0.866 0 C-N-CA 122.862 0.465 . . . . 36.75 110.437 178.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 18.3 pt -122.43 147.39 26.58 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.674 0 CA-C-O 121.61 0.719 . . . . 20.01 110.399 -178.453 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -136.41 130.47 32.76 Favored 'General case' 0 N--CA 1.439 -1.008 0 N-CA-C 104.607 -2.368 . . . . 9.37 104.607 -175.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 29.0 tpp -98.38 114.42 26.75 Favored 'General case' 0 CA--C 1.507 -0.703 0 C-N-CA 120.244 -0.582 . . . . 62.57 110.5 173.17 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 54.1 t -104.22 124.13 58.48 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.078 0 CA-C-N 115.746 -0.661 . . . . 10.75 110.534 -173.122 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -119.88 107.47 13.18 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 107.622 -1.251 . . . . 43.07 107.622 176.671 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 20.2 t -89.4 108.01 18.69 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.384 0 C-N-CA 122.522 0.329 . . . . 38.14 110.316 176.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 10.3 t -149.51 155.88 41.06 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 114.961 1.467 . . . . 51.45 114.961 -172.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -87.51 -4.61 58.99 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.265 -0.88 . . . . 66.21 110.804 170.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.243 0 N-CA-C 112.246 0.462 . . . . 72.34 112.246 179.263 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo . . . . . 0 CA--C 1.527 0.168 0 N-CA-C 110.237 -0.717 . . . . 22.76 110.237 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -96.04 144.34 26.4 Favored 'General case' 0 C--O 1.243 0.722 0 O-C-N 123.289 0.368 . . . . 34.91 111.096 -174.722 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -92.43 133.31 36.02 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.532 0.567 . . . . 25.85 112.532 179.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -134.14 116.0 14.89 Favored 'General case' 0 C--O 1.246 0.884 0 N-CA-C 105.86 -1.904 . . . . 32.24 105.86 175.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 69.1 t -108.94 130.91 61.02 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 C-N-CA 119.492 -0.883 . . . . 33.59 109.961 175.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 2.2 p -129.14 147.09 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-O 121.452 0.644 . . . . 31.23 109.281 178.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.78 144.26 48.08 Favored Pre-proline 0 C--O 1.238 0.488 0 CA-C-N 115.266 -0.879 . . . . 40.79 108.928 176.274 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -55.27 145.04 68.44 Favored 'Trans proline' 0 C--O 1.24 0.619 0 O-C-N 122.091 0.522 . . . . 28.34 111.853 178.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.99 -30.19 5.59 Favored Glycine 0 N--CA 1.444 -0.784 0 O-C-N 123.795 0.684 . . . . 35.17 112.105 178.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -75.59 177.43 6.77 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 121.289 0.566 . . . . 41.78 111.615 -179.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 3.9 m -97.71 120.94 38.99 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 119.952 -0.699 . . . . 33.06 111.564 -176.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 4.9 tt -75.88 115.02 15.16 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 113.946 -1.479 . . . . 24.67 109.497 174.094 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -127.55 120.3 27.91 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 113.85 1.055 . . . . 44.88 113.85 179.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 56.4 mt -112.69 147.67 36.31 Favored 'General case' 0 C--O 1.247 0.971 0 N-CA-C 109.263 -0.643 . . . . 11.23 109.263 179.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -131.76 117.58 18.78 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.364 -0.835 . . . . 19.24 109.596 179.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 5.9 t -72.82 163.27 28.38 Favored 'General case' 0 C--O 1.219 -0.518 0 O-C-N 124.153 0.908 . . . . 36.96 113.064 -177.209 -159.396 69.957 85.265 106.085 2.025 110.58 121.299 73.142 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 21.4 mmt -131.17 161.89 31.15 Favored 'General case' 0 CA--C 1.564 1.499 0 N-CA-C 117.366 2.358 . . . . 51.57 117.366 -172.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 23.8 mt . . . . . 0 N--CA 1.479 0.997 0 C-N-CA 126.072 1.749 . . . . 43.4 115.444 -179.576 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.585 0 CA-C-O 121.293 0.568 . . . . 34.11 111.45 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 59.8 t -80.62 127.11 39.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.938 -0.574 . . . . 55.53 111.797 179.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 1.1 mp -98.22 131.73 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-O 121.932 0.873 . . . . 22.86 113.121 -174.438 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 25.1 p -117.68 137.42 52.67 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-N 115.227 -0.897 . . . . 17.64 109.606 174.429 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' TRP . . . . . . . . . . . . . 84.3 m95 -110.09 139.25 45.42 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.422 -0.808 . . . . 12.91 112.417 -173.249 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 72.2 p -122.94 149.69 43.92 Favored 'General case' 0 CA--C 1.507 -0.7 0 CA-C-N 115.467 -0.788 . . . . 7.99 109.045 170.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -124.73 123.87 40.94 Favored 'General case' 0 C--O 1.25 1.13 0 O-C-N 124.374 1.046 . . . . 23.7 109.183 165.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 50.81 41.71 26.84 Favored 'General case' 0 C--O 1.213 -0.845 0 O-C-N 124.154 0.909 . . . . 19.57 110.087 -177.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.76 -20.09 25.83 Favored Glycine 0 C--O 1.221 -0.675 0 N-CA-C 116.029 1.172 . . . . 5.45 116.029 178.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 13.4 t -85.84 136.06 23.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 118.643 1.222 . . . . 9.15 113.654 -179.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -75.89 132.07 40.07 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 116.027 -0.533 . . . . 22.68 111.701 -179.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 97.3 mt -103.93 140.26 37.94 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 113.324 0.861 . . . . 10.23 113.324 -174.537 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -122.5 179.91 16.05 Favored Glycine 0 N--CA 1.44 -1.085 0 N-CA-C 108.571 -1.811 . . . . 17.92 108.571 171.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -68.25 145.14 65.15 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.716 2.277 . . . . 22.78 111.655 177.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 38.8 p30 -146.64 -163.49 1.76 Allowed 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.167 -0.613 . . . . 33.85 111.509 166.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.44 -18.61 61.68 Favored 'General case' 0 C--O 1.217 -0.629 0 C-N-CA 119.392 -0.923 . . . . 75.1 112.913 -171.891 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' ARG . . . . . 0.589 ' NH2' ' OD2' ' B' ' 101' ' ' ASP . 6.8 ptm180 -116.43 -0.34 12.55 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.269 0.84 . . . . 50.78 113.269 174.89 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 8.0 m -120.0 131.89 55.3 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 109.084 -0.71 . . . . 20.51 109.084 -178.36 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 54.3 t -128.01 135.92 61.59 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.405 0 N-CA-C 107.193 -1.41 . . . . 9.82 107.193 174.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 8.0 mp -123.85 118.7 27.71 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 106.728 -1.582 . . . . 19.59 106.728 -179.543 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 20.1 tt -152.39 129.05 1.97 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.496 0 C-N-CA 119.159 -1.017 . . . . 21.07 111.984 -175.093 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 61.13 -113.93 6.15 Favored Glycine 0 C--O 1.255 1.465 0 N-CA-C 109.937 -1.265 . . . . 24.08 109.937 -172.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 25.4 pm0 -112.17 14.26 20.61 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 113.515 -1.342 . . . . 36.07 108.76 -175.499 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' TYR . . . . . 0.476 ' O ' ' O ' ' B' ' 203' ' ' HOH . 67.2 m-85 -112.77 147.98 35.76 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.952 -1.022 . . . . 40.62 113.443 -173.569 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -128.91 122.26 29.87 Favored 'General case' 0 CA--C 1.494 -1.205 0 N-CA-C 104.601 -2.37 . . . . 14.18 104.601 175.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.58 132.39 53.44 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 119.45 -0.9 . . . . 26.53 111.568 175.811 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 56.3 mt -129.43 116.55 39.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 N-CA-C 106.069 -1.826 . . . . 31.32 106.069 175.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -100.93 146.36 27.47 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 119.888 -0.725 . . . . 33.53 110.983 -178.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.1 49.6 4.42 Favored Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 111.141 -0.784 . . . . 40.77 111.141 -177.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.49 129.21 39.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 122.028 0.918 . . . . 26.34 112.023 -178.15 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' THR . . . . . . . . . . . . . 28.1 p -123.09 155.19 64.71 Favored Pre-proline 0 C--N 1.319 -0.755 0 N-CA-C 106.503 -1.665 . . . . 44.54 106.503 172.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' PRO . . . . . 0.502 ' O ' ' OG ' ' B' ' 102' ' ' SER . 52.8 Cg_exo -53.71 -16.19 7.88 Favored 'Trans proline' 0 CA--C 1.53 0.322 0 N-CA-C 115.037 1.129 . . . . 46.2 115.037 -175.058 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -88.84 0.24 56.73 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 119.384 -0.927 . . . . 205.02 111.065 179.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' ASP . . . . . 0.589 ' OD2' ' NH2' ' B' ' 84' ' ' ARG . 25.9 m-20 -83.96 -12.77 54.83 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.089 -0.708 . . . . 33.03 109.089 175.304 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' SER . . . . . 0.502 ' OG ' ' O ' ' B' ' 99' ' ' PRO . 0.0 OUTLIER -70.46 156.08 39.85 Favored 'General case' 0 CA--C 1.51 -0.565 0 N-CA-C 109.459 -0.571 . . . . 33.13 109.459 175.886 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 154.35 -175.17 32.62 Favored Glycine 0 C--O 1.208 -1.473 0 N-CA-C 108.204 -1.958 . . . . 8.01 108.204 -175.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.1 106.04 18.28 Favored 'General case' 0 C--N 1.312 -1.056 0 C-N-CA 118.863 -1.135 . . . . 10.9 111.576 178.257 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' TYR . . . . . 0.478 ' OH ' ' O ' ' B' ' 101' ' ' ASP . 26.0 m-85 -91.31 156.11 18.03 Favored 'General case' 0 C--O 1.242 0.703 0 N-CA-C 106.748 -1.575 . . . . 12.42 106.748 179.152 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -151.92 142.04 22.25 Favored 'General case' 0 CA--C 1.505 -0.775 0 N-CA-C 107.806 -1.183 . . . . 10.94 107.806 176.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 16.1 p -120.56 136.47 54.79 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 108.585 -0.895 . . . . 11.87 108.585 177.99 73.142 121.299 85.265 110.58 2.025 106.085 69.957 -159.396 1 1 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.6 164.28 28.59 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 124.563 1.164 . . . . 12.48 110.044 176.837 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.804 0 O-C-N 121.706 -0.622 . . . . 29.88 110.085 173.828 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 13.3 t . . . . . 0 C--O 1.236 0.372 0 N-CA-C 113.518 0.933 . . . . 47.68 113.518 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -85.11 144.19 28.37 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 119.941 -0.704 . . . . 48.02 111.405 -169.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 5.5 t -143.75 139.14 29.27 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-N 115.316 -0.857 . . . . 19.9 110.538 -170.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' TRP . . . . . 0.479 ' CD1' ' CZ ' ' B' ' 120' ' ' PHE . 73.1 t-105 -122.83 138.77 54.55 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 108.807 -0.812 . . . . 42.35 108.807 178.727 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 7.3 mt -121.71 144.61 30.32 Favored 'Isoleucine or valine' 0 C--O 1.244 0.804 0 N-CA-C 116.845 2.165 . . . . 16.27 116.845 -170.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' PHE . . . . . 0.479 ' CZ ' ' CD1' ' B' ' 118' ' ' TRP . 53.3 m-85 -132.14 128.65 38.52 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 113.525 0.935 . . . . 12.27 113.525 -176.998 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 1.6 mmm -96.93 115.92 28.27 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.526 -0.916 . . . . 63.87 108.526 169.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 79.6 t -99.55 126.47 52.91 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.778 0 N-CA-C 107.932 -1.136 . . . . 17.21 107.932 -174.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -122.66 105.12 9.8 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 120.931 0.396 . . . . 44.37 111.188 177.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 6.7 t -91.41 113.36 26.85 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 CA-C-N 115.317 -0.856 . . . . 42.19 109.251 175.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 125' ' ' THR . . . . . . . . . . . . . 12.5 t -151.23 156.8 41.63 Favored 'General case' 0 C--O 1.248 0.994 0 CA-C-N 115.619 -0.719 . . . . 58.92 109.14 -178.641 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.68 -7.35 59.65 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 108.327 -0.99 . . . . 67.63 108.327 171.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.545 0 CA-C-N 114.679 -1.146 . . . . 72.33 108.745 178.722 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . 0.476 ' O ' ' O ' ' B' ' 91' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo . . . . . 0 CA--C 1.53 0.294 0 CA-C-O 122.025 0.76 . . . . 20.6 111.882 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -100.93 148.08 25.41 Favored 'General case' 0 CA--C 1.505 -0.785 0 CA-C-N 114.822 -1.081 . . . . 33.96 109.229 -174.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.97 139.25 30.64 Favored 'General case' 0 CA--C 1.572 1.827 0 N-CA-C 114.183 1.179 . . . . 21.94 114.183 -179.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -125.95 120.51 30.56 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.519 -0.764 . . . . 31.03 109.335 177.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 94.6 t -101.14 132.05 47.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 C-N-CA 119.146 -1.022 . . . . 25.22 108.506 172.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 43.1 t -125.22 137.38 57.8 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.985 0 N-CA-C 105.636 -1.987 . . . . 27.65 105.636 177.142 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -83.47 144.45 46.17 Favored Pre-proline 0 N--CA 1.441 -0.903 0 N-CA-C 105.712 -1.959 . . . . 30.18 105.712 176.501 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -55.54 138.82 81.64 Favored 'Trans proline' 0 CA--C 1.535 0.54 0 C-N-CA 122.456 2.104 . . . . 28.52 111.048 179.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 90.77 -29.72 6.65 Favored Glycine 0 CA--C 1.52 0.347 0 CA-C-O 121.242 0.357 . . . . 31.13 113.06 -177.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -73.2 178.84 4.19 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 112.254 0.465 . . . . 36.21 112.254 -179.91 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.0 m -100.38 122.53 43.29 Favored 'General case' 0 CA--C 1.506 -0.72 0 N-CA-C 112.196 0.443 . . . . 26.03 112.196 -177.42 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 39.3 tp -78.81 120.69 23.8 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 123.673 0.608 . . . . 19.43 110.458 169.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -127.64 119.91 26.93 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 120.146 -0.622 . . . . 40.54 112.459 177.766 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 63.0 mt -118.66 149.03 42.1 Favored 'General case' 0 CA--C 1.508 -0.664 0 CA-C-N 115.682 -0.69 . . . . 8.7 110.421 177.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -129.98 118.97 22.43 Favored 'General case' 0 CA--C 1.508 -0.672 0 O-C-N 123.744 0.652 . . . . 21.95 110.786 -178.231 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.6 t -77.77 -143.51 0.03 OUTLIER 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 107.614 -1.254 . . . . 32.5 107.614 178.176 -154.269 71.275 96.892 89.332 2.05 102.214 104.66 67.545 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' MET . . . . . 0.406 ' HE1' ' CD1' ' A' ' 118' ' ' TRP . 4.9 ptp -123.62 161.81 24.28 Favored 'General case' 0 CA--C 1.507 -0.677 0 O-C-N 121.394 -0.816 . . . . 46.3 112.402 -169.289 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 20.9 mt -96.99 102.27 14.02 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-N 115.512 -0.767 . . . . 42.16 112.617 179.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' LYS . . . . . 0.475 ' NZ ' ' OD1' ' A' ' 114' ' ' ASP . 60.3 mtpt -128.6 123.74 34.09 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 107.561 -1.274 . . . . 48.41 107.561 175.633 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -58.56 135.33 57.3 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.468 -0.787 . . . . 61.49 109.814 174.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 67.89 10.17 7.62 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 114.06 1.133 . . . . 45.77 114.06 177.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -99.36 120.05 38.96 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 120.238 -0.585 . . . . 44.29 112.025 175.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.5 p -91.7 131.6 38.36 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 CA-C-O 121.907 0.86 . . . . 61.39 110.412 173.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ILE . . . . . 0.444 HD13 ' HA ' ' A' ' 90' ' ' GLU . 1.8 mp -90.92 128.98 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 CA-C-N 114.676 -1.147 . . . . 19.21 110.24 -169.81 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.8 p -122.54 139.76 53.54 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 119.949 -0.701 . . . . 11.15 109.873 172.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' TRP . . . . . 0.438 ' CZ3' ' HB3' ' A' ' 107' ' ' CYS . 87.7 m95 -111.11 140.77 45.39 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 114.139 1.163 . . . . 11.32 114.139 -174.248 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 76.3 p -128.6 152.06 48.76 Favored 'General case' 0 C--O 1.246 0.888 0 CA-C-N 115.628 -0.715 . . . . 9.39 109.14 171.427 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' LYS . . . . . 0.457 ' HD2' ' CZ ' ' A' ' 105' ' ' TYR . 25.5 tttp -121.38 122.03 38.93 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 107.553 -1.277 . . . . 21.11 107.553 168.008 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 50.79 39.0 21.13 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 112.767 0.654 . . . . 13.27 112.767 -176.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.81 -20.97 12.34 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 114.876 0.71 . . . . 5.15 114.876 179.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.5 t -86.27 143.43 11.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 N-CA-C 113.005 0.743 . . . . 8.5 113.005 179.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 52.8 t60 -69.69 134.56 48.81 Favored 'General case' 0 CA--C 1.5 -0.979 0 N-CA-C 115.23 1.567 . . . . 16.97 115.23 -174.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 93.8 mt -108.7 129.74 55.35 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.478 1.111 . . . . 9.73 108.869 174.45 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -126.16 -176.3 14.46 Favored Glycine 0 C--O 1.24 0.487 0 N-CA-C 108.551 -1.82 . . . . 18.83 108.551 173.239 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -69.35 136.69 34.75 Favored 'Trans proline' 0 N--CA 1.472 0.247 1 C-N-CA 125.729 4.286 . . . . 19.29 114.27 177.909 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 43.9 p30 -148.18 -159.36 1.02 Allowed 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 112.341 0.497 . . . . 33.69 112.341 168.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 49.3 m-20 -71.43 -22.44 61.84 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 119.921 -0.711 . . . . 66.61 111.498 -172.569 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ARG . . . . . 0.721 ' NH2' ' OD2' ' A' ' 101' ' ' ASP . 6.8 ptm180 -116.86 2.02 12.76 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.52 -0.764 . . . . 54.62 111.763 179.301 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.4 m -121.67 129.73 52.97 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 119.719 -0.792 . . . . 22.02 110.748 -177.929 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 64.7 t -129.19 134.94 63.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 108.308 -0.997 . . . . 10.52 108.308 175.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.7 mp -122.49 121.51 36.74 Favored 'General case' 0 CA--C 1.488 -1.43 0 N-CA-C 106.983 -1.488 . . . . 26.32 106.983 178.565 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 15.6 tt -152.29 129.52 2.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 C-N-CA 118.399 -1.321 . . . . 24.06 113.008 -178.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 61.13 -116.02 8.73 Favored Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 106.751 -2.54 . . . . 20.35 106.751 -174.047 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' GLU . . . . . 0.444 ' HA ' HD13 ' A' ' 70' ' ' ILE . 25.4 pm0 -113.22 21.01 15.71 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.139 -0.689 . . . . 32.52 109.139 -177.958 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -111.52 148.27 33.57 Favored 'General case' 0 CA--C 1.491 -1.296 0 N-CA-C 113.281 0.845 . . . . 40.48 113.281 -171.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -130.57 121.14 25.15 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 113.901 -1.5 . . . . 14.9 106.991 175.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -123.02 132.75 54.26 Favored 'General case' 0 C--O 1.248 1.013 0 CA-C-O 121.462 0.648 . . . . 23.99 111.627 175.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 90.9 mt -129.18 116.83 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 N-CA-C 108.014 -1.106 . . . . 28.05 108.014 171.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -100.23 147.66 25.49 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 109.401 -0.592 . . . . 34.22 109.401 179.214 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 83.86 49.19 4.9 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.427 -0.892 . . . . 39.17 111.067 -177.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.88 128.39 36.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.766 0.317 . . . . 28.29 111.45 -178.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' THR . . . . . 0.409 ' O ' ' HB2' ' A' ' 101' ' ' ASP . 43.9 p -123.02 155.8 63.59 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 107.056 -1.461 . . . . 39.91 107.056 172.231 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -57.37 -19.54 35.85 Favored 'Trans proline' 0 C--O 1.218 -0.521 0 N-CA-C 115.642 1.362 . . . . 39.78 115.642 -174.049 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 30.9 ptt-85 -89.37 2.87 53.82 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 119.47 -0.892 . . . . 205.6 108.68 179.527 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ASP . . . . . 0.721 ' OD2' ' NH2' ' A' ' 84' ' ' ARG . 14.9 m-20 -83.55 -9.01 59.22 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 108.083 -1.08 . . . . 36.42 108.083 170.361 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 66.2 m -65.34 153.04 42.33 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 107.754 -1.202 . . . . 28.43 107.754 175.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 153.08 -178.81 29.96 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 121.186 -0.531 . . . . 7.85 113.548 -178.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' LEU . . . . . 0.483 HD12 ' HE2' ' A' ' 121' ' ' MET . 1.0 OUTLIER -96.46 105.18 17.22 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 121.32 0.581 . . . . 8.75 110.062 179.382 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 105' ' ' TYR . . . . . 0.457 ' CZ ' ' HD2' ' A' ' 74' ' ' LYS . 35.9 m-85 -92.91 153.29 18.88 Favored 'General case' 0 CA--C 1.506 -0.715 0 C-N-CA 119.559 -0.857 . . . . 8.24 108.751 179.914 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ALA . . . . . 0.46 ' HB2' HG22 ' A' ' 119' ' ' ILE . . . -152.69 145.07 24.02 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.653 -0.869 . . . . 11.61 108.653 174.708 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 107' ' ' CYS . . . . . 0.438 ' HB3' ' CZ3' ' A' ' 72' ' ' TRP . 24.5 p -119.5 136.24 54.42 Favored 'General case' 0 N--CA 1.437 -1.114 0 N-CA-C 106.752 -1.573 . . . . 11.58 106.752 174.285 67.545 104.66 96.892 102.214 2.05 89.332 71.275 -154.269 2 2 . 1 . 001 ecloud build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.84 123.66 43.12 Favored 'General case' 0 N--CA 1.438 -1.063 0 N-CA-C 102.807 -3.034 . . . . 12.35 102.807 178.885 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -95.21 106.72 18.77 Favored 'General case' 0 C--O 1.248 0.984 0 N-CA-C 106.051 -1.833 . . . . 26.76 106.051 172.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -109.96 133.4 53.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.787 0.803 . . . . 40.45 112.326 178.186 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.59 178.3 5.74 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 106.043 -1.836 . . . . 62.67 106.043 167.422 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.1 p -55.28 -46.79 76.15 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.226 0.454 . . . . 87.85 112.226 179.064 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -69.25 -49.21 63.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 N-CA-C 113.485 0.92 . . . . 68.69 113.485 -176.908 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 114' ' ' ASP . . . . . 0.475 ' OD1' ' NZ ' ' A' ' 65' ' ' LYS . 3.4 p30 -140.51 -177.75 5.19 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.458 -0.337 . . . . 69.23 111.706 -169.659 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.8 t -159.61 88.67 0.86 Allowed 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 108.676 -0.861 . . . . 50.11 108.676 -175.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -92.63 151.34 20.17 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 122.924 0.49 . . . . 43.31 111.106 -176.824 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 31.3 m -141.99 136.64 30.5 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.689 1.366 . . . . 15.06 114.689 -168.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' TRP . . . . . 0.406 ' CD1' ' HE1' ' A' ' 63' ' ' MET . 46.9 m0 -123.39 142.47 50.94 Favored 'General case' 0 CA--C 1.502 -0.866 0 C-N-CA 122.862 0.465 . . . . 36.75 110.437 178.75 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 119' ' ' ILE . . . . . 0.46 HG22 ' HB2' ' A' ' 106' ' ' ALA . 18.3 pt -122.43 147.39 26.58 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.674 0 CA-C-O 121.61 0.719 . . . . 20.01 110.399 -178.453 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -136.41 130.47 32.76 Favored 'General case' 0 N--CA 1.439 -1.008 0 N-CA-C 104.607 -2.368 . . . . 9.37 104.607 -175.929 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' MET . . . . . 0.483 ' HE2' HD12 ' A' ' 104' ' ' LEU . 29.0 tpp -98.38 114.42 26.75 Favored 'General case' 0 CA--C 1.507 -0.703 0 C-N-CA 120.244 -0.582 . . . . 62.57 110.5 173.17 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 54.1 t -104.22 124.13 58.48 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.078 0 CA-C-N 115.746 -0.661 . . . . 10.75 110.534 -173.122 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -119.88 107.47 13.18 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 107.622 -1.251 . . . . 43.07 107.622 176.671 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 20.2 t -89.4 108.01 18.69 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.384 0 C-N-CA 122.522 0.329 . . . . 38.14 110.316 176.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 10.3 t -149.51 155.88 41.06 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 114.961 1.467 . . . . 51.45 114.961 -172.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -87.51 -4.61 58.99 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.265 -0.88 . . . . 66.21 110.804 170.932 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.243 0 N-CA-C 112.246 0.462 . . . . 72.34 112.246 179.263 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo . . . . . 0 CA--C 1.527 0.168 0 N-CA-C 110.237 -0.717 . . . . 22.76 110.237 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -96.04 144.34 26.4 Favored 'General case' 0 C--O 1.243 0.722 0 O-C-N 123.289 0.368 . . . . 34.91 111.096 -174.722 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -92.43 133.31 36.02 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.532 0.567 . . . . 25.85 112.532 179.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -134.14 116.0 14.89 Favored 'General case' 0 C--O 1.246 0.884 0 N-CA-C 105.86 -1.904 . . . . 32.24 105.86 175.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 69.1 t -108.94 130.91 61.02 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 C-N-CA 119.492 -0.883 . . . . 33.59 109.961 175.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 2.2 p -129.14 147.09 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-O 121.452 0.644 . . . . 31.23 109.281 178.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.78 144.26 48.08 Favored Pre-proline 0 C--O 1.238 0.488 0 CA-C-N 115.266 -0.879 . . . . 40.79 108.928 176.274 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' PRO . . . . . 0.438 ' HD3' ' O ' ' B' ' 125' ' ' THR . 89.2 Cg_exo -55.27 145.04 68.44 Favored 'Trans proline' 0 C--O 1.24 0.619 0 O-C-N 122.091 0.522 . . . . 28.34 111.853 178.746 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.99 -30.19 5.59 Favored Glycine 0 N--CA 1.444 -0.784 0 O-C-N 123.795 0.684 . . . . 35.17 112.105 178.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -75.59 177.43 6.77 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 121.289 0.566 . . . . 41.78 111.615 -179.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 3.9 m -97.71 120.94 38.99 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 119.952 -0.699 . . . . 33.06 111.564 -176.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 4.9 tt -75.88 115.02 15.16 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 113.946 -1.479 . . . . 24.67 109.497 174.094 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -127.55 120.3 27.91 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 113.85 1.055 . . . . 44.88 113.85 179.204 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' LEU . . . . . 0.588 HD12 HD12 ' B' ' 92' ' ' LEU . 56.4 mt -112.69 147.67 36.31 Favored 'General case' 0 C--O 1.247 0.971 0 N-CA-C 109.263 -0.643 . . . . 11.23 109.263 179.083 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -131.76 117.58 18.78 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.364 -0.835 . . . . 19.24 109.596 179.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 5.9 t -72.82 163.27 28.38 Favored 'General case' 0 C--O 1.219 -0.518 0 O-C-N 124.153 0.908 . . . . 36.96 113.064 -177.209 -159.396 69.957 85.265 106.085 2.025 110.58 121.299 73.142 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 21.4 mmt -131.17 161.89 31.15 Favored 'General case' 0 CA--C 1.564 1.499 0 N-CA-C 117.366 2.358 . . . . 51.57 117.366 -172.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 23.8 mt . . . . . 0 N--CA 1.479 0.997 0 C-N-CA 126.072 1.749 . . . . 43.4 115.444 -179.576 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.585 0 CA-C-O 121.293 0.568 . . . . 34.11 111.45 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 59.8 t -80.62 127.11 39.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.938 -0.574 . . . . 55.53 111.797 179.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 1.1 mp -98.22 131.73 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-O 121.932 0.873 . . . . 22.86 113.121 -174.438 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 25.1 p -117.68 137.42 52.67 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-N 115.227 -0.897 . . . . 17.64 109.606 174.429 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' TRP . . . . . 0.537 ' CE2' ' HB2' ' B' ' 92' ' ' LEU . 84.3 m95 -110.09 139.25 45.42 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.422 -0.808 . . . . 12.91 112.417 -173.249 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 72.2 p -122.94 149.69 43.92 Favored 'General case' 0 CA--C 1.507 -0.7 0 CA-C-N 115.467 -0.788 . . . . 7.99 109.045 170.485 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' LYS . . . . . 0.58 ' HD2' ' CZ ' ' B' ' 105' ' ' TYR . 66.1 tttt -124.73 123.87 40.94 Favored 'General case' 0 C--O 1.25 1.13 0 O-C-N 124.374 1.046 . . . . 23.7 109.183 165.308 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 50.81 41.71 26.84 Favored 'General case' 0 C--O 1.213 -0.845 0 O-C-N 124.154 0.909 . . . . 19.57 110.087 -177.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.76 -20.09 25.83 Favored Glycine 0 C--O 1.221 -0.675 0 N-CA-C 116.029 1.172 . . . . 5.45 116.029 178.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 13.4 t -85.84 136.06 23.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 118.643 1.222 . . . . 9.15 113.654 -179.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -75.89 132.07 40.07 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 116.027 -0.533 . . . . 22.68 111.701 -179.451 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 97.3 mt -103.93 140.26 37.94 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 113.324 0.861 . . . . 10.23 113.324 -174.537 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -122.5 179.91 16.05 Favored Glycine 0 N--CA 1.44 -1.085 0 N-CA-C 108.571 -1.811 . . . . 17.92 108.571 171.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -68.25 145.14 65.15 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.716 2.277 . . . . 22.78 111.655 177.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 38.8 p30 -146.64 -163.49 1.76 Allowed 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.167 -0.613 . . . . 33.85 111.509 166.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.44 -18.61 61.68 Favored 'General case' 0 C--O 1.217 -0.629 0 C-N-CA 119.392 -0.923 . . . . 75.1 112.913 -171.891 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 84' ' ' ARG . . . . . 0.525 ' NH2' ' OD2' ' B' ' 101' ' ' ASP . 6.8 ptm180 -116.43 -0.34 12.55 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.269 0.84 . . . . 50.78 113.269 174.89 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 8.0 m -120.0 131.89 55.3 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 109.084 -0.71 . . . . 20.51 109.084 -178.36 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 54.3 t -128.01 135.92 61.59 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.405 0 N-CA-C 107.193 -1.41 . . . . 9.82 107.193 174.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 8.0 mp -123.85 118.7 27.71 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 106.728 -1.582 . . . . 19.59 106.728 -179.543 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 20.1 tt -152.39 129.05 1.97 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.496 0 C-N-CA 119.159 -1.017 . . . . 21.07 111.984 -175.093 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 61.13 -113.93 6.15 Favored Glycine 0 C--O 1.255 1.465 0 N-CA-C 109.937 -1.265 . . . . 24.08 109.937 -172.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 25.4 pm0 -112.17 14.26 20.61 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 113.515 -1.342 . . . . 36.07 108.76 -175.499 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 91' ' ' TYR . . . . . 0.476 ' O ' ' O ' ' B' ' 203' ' ' HOH . 67.2 m-85 -112.77 147.98 35.76 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.952 -1.022 . . . . 40.62 113.443 -173.569 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 92' ' ' LEU . . . . . 0.588 HD12 HD12 ' B' ' 60' ' ' LEU . 1.6 tm? -128.91 122.26 29.87 Favored 'General case' 0 CA--C 1.494 -1.205 0 N-CA-C 104.601 -2.37 . . . . 14.18 104.601 175.794 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.58 132.39 53.44 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 119.45 -0.9 . . . . 26.53 111.568 175.811 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 56.3 mt -129.43 116.55 39.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 N-CA-C 106.069 -1.826 . . . . 31.32 106.069 175.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -100.93 146.36 27.47 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 119.888 -0.725 . . . . 33.53 110.983 -178.59 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.1 49.6 4.42 Favored Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 111.141 -0.784 . . . . 40.77 111.141 -177.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.49 129.21 39.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 122.028 0.918 . . . . 26.34 112.023 -178.15 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 98' ' ' THR . . . . . . . . . . . . . 28.1 p -123.09 155.19 64.71 Favored Pre-proline 0 C--N 1.319 -0.755 0 N-CA-C 106.503 -1.665 . . . . 44.54 106.503 172.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 99' ' ' PRO . . . . . 0.486 ' O ' ' OG ' ' B' ' 102' ' ' SER . 52.8 Cg_exo -53.71 -16.19 7.88 Favored 'Trans proline' 0 CA--C 1.53 0.322 0 N-CA-C 115.037 1.129 . . . . 46.2 115.037 -175.058 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -88.84 0.24 56.73 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 119.384 -0.927 . . . . 205.02 111.065 179.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' ASP . . . . . 0.525 ' OD2' ' NH2' ' B' ' 84' ' ' ARG . 25.9 m-20 -83.96 -12.77 54.83 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.089 -0.708 . . . . 33.03 109.089 175.304 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 102' ' ' SER . . . . . 0.486 ' OG ' ' O ' ' B' ' 99' ' ' PRO . 0.0 OUTLIER -70.46 156.08 39.85 Favored 'General case' 0 CA--C 1.51 -0.565 0 N-CA-C 109.459 -0.571 . . . . 33.13 109.459 175.886 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 154.35 -175.17 32.62 Favored Glycine 0 C--O 1.208 -1.473 0 N-CA-C 108.204 -1.958 . . . . 8.01 108.204 -175.581 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.1 106.04 18.28 Favored 'General case' 0 C--N 1.312 -1.056 0 C-N-CA 118.863 -1.135 . . . . 10.9 111.576 178.257 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 105' ' ' TYR . . . . . 0.58 ' CZ ' ' HD2' ' B' ' 74' ' ' LYS . 26.0 m-85 -91.31 156.11 18.03 Favored 'General case' 0 C--O 1.242 0.703 0 N-CA-C 106.748 -1.575 . . . . 12.42 106.748 179.152 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -151.92 142.04 22.25 Favored 'General case' 0 CA--C 1.505 -0.775 0 N-CA-C 107.806 -1.183 . . . . 10.94 107.806 176.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 16.1 p -120.56 136.47 54.79 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 108.585 -0.895 . . . . 11.87 108.585 177.99 73.142 121.299 85.265 110.58 2.025 106.085 69.957 -159.396 1 1 . 1 . 001 ecloud build full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.6 164.28 28.59 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 124.563 1.164 . . . . 12.48 110.044 176.837 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.804 0 O-C-N 121.706 -0.622 . . . . 29.88 110.085 173.828 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 13.3 t . . . . . 0 C--O 1.236 0.372 0 N-CA-C 113.518 0.933 . . . . 47.68 113.518 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -85.11 144.19 28.37 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 119.941 -0.704 . . . . 48.02 111.405 -169.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 5.5 t -143.75 139.14 29.27 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-N 115.316 -0.857 . . . . 19.9 110.538 -170.457 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 118' ' ' TRP . . . . . 0.499 ' HD1' ' CZ ' ' B' ' 120' ' ' PHE . 73.1 t-105 -122.83 138.77 54.55 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 108.807 -0.812 . . . . 42.35 108.807 178.727 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 7.3 mt -121.71 144.61 30.32 Favored 'Isoleucine or valine' 0 C--O 1.244 0.804 0 N-CA-C 116.845 2.165 . . . . 16.27 116.845 -170.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 120' ' ' PHE . . . . . 0.499 ' CZ ' ' HD1' ' B' ' 118' ' ' TRP . 53.3 m-85 -132.14 128.65 38.52 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 113.525 0.935 . . . . 12.27 113.525 -176.998 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 1.6 mmm -96.93 115.92 28.27 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.526 -0.916 . . . . 63.87 108.526 169.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 79.6 t -99.55 126.47 52.91 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.778 0 N-CA-C 107.932 -1.136 . . . . 17.21 107.932 -174.269 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -122.66 105.12 9.8 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 120.931 0.396 . . . . 44.37 111.188 177.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 6.7 t -91.41 113.36 26.85 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 CA-C-N 115.317 -0.856 . . . . 42.19 109.251 175.477 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 125' ' ' THR . . . . . 0.438 ' O ' ' HD3' ' B' ' 54' ' ' PRO . 12.5 t -151.23 156.8 41.63 Favored 'General case' 0 C--O 1.248 0.994 0 CA-C-N 115.619 -0.719 . . . . 58.92 109.14 -178.641 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.68 -7.35 59.65 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 108.327 -0.99 . . . . 67.63 108.327 171.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.545 0 CA-C-N 114.679 -1.146 . . . . 72.33 108.745 178.722 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . 0.476 ' O ' ' O ' ' B' ' 91' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo . . . . . 0 CA--C 1.53 0.294 0 CA-C-O 122.025 0.76 . . . . 20.6 111.882 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -100.93 148.08 25.41 Favored 'General case' 0 CA--C 1.505 -0.785 0 CA-C-N 114.822 -1.081 . . . . 33.96 109.229 -174.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.97 139.25 30.64 Favored 'General case' 0 CA--C 1.572 1.827 0 N-CA-C 114.183 1.179 . . . . 21.94 114.183 -179.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -125.95 120.51 30.56 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.519 -0.764 . . . . 31.03 109.335 177.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 94.6 t -101.14 132.05 47.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 C-N-CA 119.146 -1.022 . . . . 25.22 108.506 172.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 43.1 t -125.22 137.38 57.8 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.985 0 N-CA-C 105.636 -1.987 . . . . 27.65 105.636 177.142 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -83.47 144.45 46.17 Favored Pre-proline 0 N--CA 1.441 -0.903 0 N-CA-C 105.712 -1.959 . . . . 30.18 105.712 176.501 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -55.54 138.82 81.64 Favored 'Trans proline' 0 CA--C 1.535 0.54 0 C-N-CA 122.456 2.104 . . . . 28.52 111.048 179.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 90.77 -29.72 6.65 Favored Glycine 0 CA--C 1.52 0.347 0 CA-C-O 121.242 0.357 . . . . 31.13 113.06 -177.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -73.2 178.84 4.19 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 112.254 0.465 . . . . 36.21 112.254 -179.91 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.0 m -100.38 122.53 43.29 Favored 'General case' 0 CA--C 1.506 -0.72 0 N-CA-C 112.196 0.443 . . . . 26.03 112.196 -177.42 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 39.3 tp -78.81 120.69 23.8 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 123.673 0.608 . . . . 19.43 110.458 169.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -127.64 119.91 26.93 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 120.146 -0.622 . . . . 40.54 112.459 177.766 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 63.0 mt -118.66 149.03 42.1 Favored 'General case' 0 CA--C 1.508 -0.664 0 CA-C-N 115.682 -0.69 . . . . 8.7 110.421 177.809 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -129.98 118.97 22.43 Favored 'General case' 0 CA--C 1.508 -0.672 0 O-C-N 123.744 0.652 . . . . 21.95 110.786 -178.231 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.6 t -77.77 -143.51 0.03 OUTLIER 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 107.614 -1.254 . . . . 32.5 107.614 178.176 -154.269 71.275 96.892 89.332 2.05 102.214 104.66 67.545 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' MET . . . . . 0.406 ' HE1' ' CD1' ' A' ' 118' ' ' TRP . 4.9 ptp -123.62 161.81 24.28 Favored 'General case' 0 CA--C 1.507 -0.677 0 O-C-N 121.394 -0.816 . . . . 46.3 112.402 -169.289 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 20.9 mt -96.99 102.27 14.02 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-N 115.512 -0.767 . . . . 42.16 112.617 179.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.475 ' NZ ' ' OD1' ' A' ' 114' ' ' ASP . 60.3 mtpt -128.6 123.74 34.09 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 107.561 -1.274 . . . . 48.41 107.561 175.633 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -58.56 135.33 57.3 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.468 -0.787 . . . . 61.49 109.814 174.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 67.89 10.17 7.62 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 114.06 1.133 . . . . 45.77 114.06 177.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -99.36 120.05 38.96 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 120.238 -0.585 . . . . 44.29 112.025 175.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.5 p -91.7 131.6 38.36 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 CA-C-O 121.907 0.86 . . . . 61.39 110.412 173.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.444 HD13 ' HA ' ' A' ' 90' ' ' GLU . 1.8 mp -90.92 128.98 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 CA-C-N 114.676 -1.147 . . . . 19.21 110.24 -169.81 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.8 p -122.54 139.76 53.54 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 119.949 -0.701 . . . . 11.15 109.873 172.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.438 ' CZ3' ' HB3' ' A' ' 107' ' ' CYS . 87.7 m95 -111.11 140.77 45.39 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 114.139 1.163 . . . . 11.32 114.139 -174.248 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 76.3 p -128.6 152.06 48.76 Favored 'General case' 0 C--O 1.246 0.888 0 CA-C-N 115.628 -0.715 . . . . 9.39 109.14 171.427 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.457 ' HD2' ' CZ ' ' A' ' 105' ' ' TYR . 25.5 tttp -121.38 122.03 38.93 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 107.553 -1.277 . . . . 21.11 107.553 168.008 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 50.79 39.0 21.13 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 112.767 0.654 . . . . 13.27 112.767 -176.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.81 -20.97 12.34 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 114.876 0.71 . . . . 5.15 114.876 179.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.5 t -86.27 143.43 11.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 N-CA-C 113.005 0.743 . . . . 8.5 113.005 179.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 52.8 t60 -69.69 134.56 48.81 Favored 'General case' 0 CA--C 1.5 -0.979 0 N-CA-C 115.23 1.567 . . . . 16.97 115.23 -174.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 93.8 mt -108.7 129.74 55.35 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.478 1.111 . . . . 9.73 108.869 174.45 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -126.16 -176.3 14.46 Favored Glycine 0 C--O 1.24 0.487 0 N-CA-C 108.551 -1.82 . . . . 18.83 108.551 173.239 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -69.35 136.69 34.75 Favored 'Trans proline' 0 N--CA 1.472 0.247 1 C-N-CA 125.729 4.286 . . . . 19.29 114.27 177.909 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 43.9 p30 -148.18 -159.36 1.02 Allowed 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 112.341 0.497 . . . . 33.69 112.341 168.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 49.3 m-20 -71.43 -22.44 61.84 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 119.921 -0.711 . . . . 66.61 111.498 -172.569 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.721 ' NH2' ' OD2' ' A' ' 101' ' ' ASP . 6.8 ptm180 -116.86 2.02 12.76 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.52 -0.764 . . . . 54.62 111.763 179.301 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.4 m -121.67 129.73 52.97 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 119.719 -0.792 . . . . 22.02 110.748 -177.929 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 64.7 t -129.19 134.94 63.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 108.308 -0.997 . . . . 10.52 108.308 175.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.7 mp -122.49 121.51 36.74 Favored 'General case' 0 CA--C 1.488 -1.43 0 N-CA-C 106.983 -1.488 . . . . 26.32 106.983 178.565 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 15.6 tt -152.29 129.52 2.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 C-N-CA 118.399 -1.321 . . . . 24.06 113.008 -178.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 61.13 -116.02 8.73 Favored Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 106.751 -2.54 . . . . 20.35 106.751 -174.047 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.444 ' HA ' HD13 ' A' ' 70' ' ' ILE . 25.4 pm0 -113.22 21.01 15.71 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.139 -0.689 . . . . 32.52 109.139 -177.958 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -111.52 148.27 33.57 Favored 'General case' 0 CA--C 1.491 -1.296 0 N-CA-C 113.281 0.845 . . . . 40.48 113.281 -171.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -130.57 121.14 25.15 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 113.901 -1.5 . . . . 14.9 106.991 175.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -123.02 132.75 54.26 Favored 'General case' 0 C--O 1.248 1.013 0 CA-C-O 121.462 0.648 . . . . 23.99 111.627 175.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 90.9 mt -129.18 116.83 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 N-CA-C 108.014 -1.106 . . . . 28.05 108.014 171.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -100.23 147.66 25.49 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 109.401 -0.592 . . . . 34.22 109.401 179.214 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 83.86 49.19 4.9 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.427 -0.892 . . . . 39.17 111.067 -177.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.88 128.39 36.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.766 0.317 . . . . 28.29 111.45 -178.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' THR . . . . . 0.409 ' O ' ' HB2' ' A' ' 101' ' ' ASP . 43.9 p -123.02 155.8 63.59 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 107.056 -1.461 . . . . 39.91 107.056 172.231 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -57.37 -19.54 35.85 Favored 'Trans proline' 0 C--O 1.218 -0.521 0 N-CA-C 115.642 1.362 . . . . 39.78 115.642 -174.049 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 30.9 ptt-85 -89.37 2.87 53.82 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 119.47 -0.892 . . . . 205.6 108.68 179.527 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.721 ' OD2' ' NH2' ' A' ' 84' ' ' ARG . 14.9 m-20 -83.55 -9.01 59.22 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 108.083 -1.08 . . . . 36.42 108.083 170.361 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 66.2 m -65.34 153.04 42.33 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 107.754 -1.202 . . . . 28.43 107.754 175.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 153.08 -178.81 29.96 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 121.186 -0.531 . . . . 7.85 113.548 -178.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.483 HD12 ' HE2' ' A' ' 121' ' ' MET . 1.0 OUTLIER -96.46 105.18 17.22 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 121.32 0.581 . . . . 8.75 110.062 179.382 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.457 ' CZ ' ' HD2' ' A' ' 74' ' ' LYS . 35.9 m-85 -92.91 153.29 18.88 Favored 'General case' 0 CA--C 1.506 -0.715 0 C-N-CA 119.559 -0.857 . . . . 8.24 108.751 179.914 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.46 ' HB2' HG22 ' A' ' 119' ' ' ILE . . . -152.69 145.07 24.02 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.653 -0.869 . . . . 11.61 108.653 174.708 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.438 ' HB3' ' CZ3' ' A' ' 72' ' ' TRP . 24.5 p -119.5 136.24 54.42 Favored 'General case' 0 N--CA 1.437 -1.114 0 N-CA-C 106.752 -1.573 . . . . 11.58 106.752 174.285 67.545 104.66 96.892 102.214 2.05 89.332 71.275 -154.269 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.84 123.66 43.12 Favored 'General case' 0 N--CA 1.438 -1.063 0 N-CA-C 102.807 -3.034 . . . . 12.35 102.807 178.885 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -95.21 106.72 18.77 Favored 'General case' 0 C--O 1.248 0.984 0 N-CA-C 106.051 -1.833 . . . . 26.76 106.051 172.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -109.96 133.4 53.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.787 0.803 . . . . 40.45 112.326 178.186 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.59 178.3 5.74 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 106.043 -1.836 . . . . 62.67 106.043 167.422 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.1 p -55.28 -46.79 76.15 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.226 0.454 . . . . 87.85 112.226 179.064 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -69.25 -49.21 63.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 N-CA-C 113.485 0.92 . . . . 68.69 113.485 -176.908 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.475 ' OD1' ' NZ ' ' A' ' 65' ' ' LYS . 3.4 p30 -140.51 -177.75 5.19 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.458 -0.337 . . . . 69.23 111.706 -169.659 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.8 t -159.61 88.67 0.86 Allowed 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 108.676 -0.861 . . . . 50.11 108.676 -175.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -92.63 151.34 20.17 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 122.924 0.49 . . . . 43.31 111.106 -176.824 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 31.3 m -141.99 136.64 30.5 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.689 1.366 . . . . 15.06 114.689 -168.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.406 ' CD1' ' HE1' ' A' ' 63' ' ' MET . 46.9 m0 -123.39 142.47 50.94 Favored 'General case' 0 CA--C 1.502 -0.866 0 C-N-CA 122.862 0.465 . . . . 36.75 110.437 178.75 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.46 HG22 ' HB2' ' A' ' 106' ' ' ALA . 18.3 pt -122.43 147.39 26.58 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.674 0 CA-C-O 121.61 0.719 . . . . 20.01 110.399 -178.453 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -136.41 130.47 32.76 Favored 'General case' 0 N--CA 1.439 -1.008 0 N-CA-C 104.607 -2.368 . . . . 9.37 104.607 -175.929 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' MET . . . . . 0.483 ' HE2' HD12 ' A' ' 104' ' ' LEU . 29.0 tpp -98.38 114.42 26.75 Favored 'General case' 0 CA--C 1.507 -0.703 0 C-N-CA 120.244 -0.582 . . . . 62.57 110.5 173.17 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 54.1 t -104.22 124.13 58.48 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.078 0 CA-C-N 115.746 -0.661 . . . . 10.75 110.534 -173.122 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -119.88 107.47 13.18 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 107.622 -1.251 . . . . 43.07 107.622 176.671 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 20.2 t -89.4 108.01 18.69 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.384 0 C-N-CA 122.522 0.329 . . . . 38.14 110.316 176.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 10.3 t -149.51 155.88 41.06 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 114.961 1.467 . . . . 51.45 114.961 -172.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -87.51 -4.61 58.99 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.265 -0.88 . . . . 66.21 110.804 170.932 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.243 0 N-CA-C 112.246 0.462 . . . . 72.34 112.246 179.263 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo . . . . . 0 CA--C 1.527 0.168 0 N-CA-C 110.237 -0.717 . . . . 22.76 110.237 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -96.04 144.34 26.4 Favored 'General case' 0 C--O 1.243 0.722 0 O-C-N 123.289 0.368 . . . . 34.91 111.096 -174.722 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -92.43 133.31 36.02 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.532 0.567 . . . . 25.85 112.532 179.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -134.14 116.0 14.89 Favored 'General case' 0 C--O 1.246 0.884 0 N-CA-C 105.86 -1.904 . . . . 32.24 105.86 175.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 69.1 t -108.94 130.91 61.02 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 C-N-CA 119.492 -0.883 . . . . 33.59 109.961 175.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 2.2 p -129.14 147.09 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-O 121.452 0.644 . . . . 31.23 109.281 178.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.78 144.26 48.08 Favored Pre-proline 0 C--O 1.238 0.488 0 CA-C-N 115.266 -0.879 . . . . 40.79 108.928 176.274 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' PRO . . . . . 0.438 ' HD3' ' O ' ' B' ' 125' ' ' THR . 89.2 Cg_exo -55.27 145.04 68.44 Favored 'Trans proline' 0 C--O 1.24 0.619 0 O-C-N 122.091 0.522 . . . . 28.34 111.853 178.746 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.99 -30.19 5.59 Favored Glycine 0 N--CA 1.444 -0.784 0 O-C-N 123.795 0.684 . . . . 35.17 112.105 178.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -75.59 177.43 6.77 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 121.289 0.566 . . . . 41.78 111.615 -179.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 3.9 m -97.71 120.94 38.99 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 119.952 -0.699 . . . . 33.06 111.564 -176.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 4.9 tt -75.88 115.02 15.16 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 113.946 -1.479 . . . . 24.67 109.497 174.094 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -127.55 120.3 27.91 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 113.85 1.055 . . . . 44.88 113.85 179.204 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.588 HD12 HD12 ' B' ' 92' ' ' LEU . 56.4 mt -112.69 147.67 36.31 Favored 'General case' 0 C--O 1.247 0.971 0 N-CA-C 109.263 -0.643 . . . . 11.23 109.263 179.083 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -131.76 117.58 18.78 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.364 -0.835 . . . . 19.24 109.596 179.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 5.9 t -72.82 163.27 28.38 Favored 'General case' 0 C--O 1.219 -0.518 0 O-C-N 124.153 0.908 . . . . 36.96 113.064 -177.209 -159.396 69.957 85.265 106.085 2.025 110.58 121.299 73.142 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 21.4 mmt -131.17 161.89 31.15 Favored 'General case' 0 CA--C 1.564 1.499 0 N-CA-C 117.366 2.358 . . . . 51.57 117.366 -172.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 23.8 mt . . . . . 0 N--CA 1.479 0.997 0 C-N-CA 126.072 1.749 . . . . 43.4 115.444 -179.576 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.585 0 CA-C-O 121.293 0.568 . . . . 34.11 111.45 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 59.8 t -80.62 127.11 39.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.938 -0.574 . . . . 55.53 111.797 179.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 1.1 mp -98.22 131.73 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-O 121.932 0.873 . . . . 22.86 113.121 -174.438 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 25.1 p -117.68 137.42 52.67 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-N 115.227 -0.897 . . . . 17.64 109.606 174.429 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' TRP . . . . . 0.537 ' CE2' ' HB2' ' B' ' 92' ' ' LEU . 84.3 m95 -110.09 139.25 45.42 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.422 -0.808 . . . . 12.91 112.417 -173.249 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 72.2 p -122.94 149.69 43.92 Favored 'General case' 0 CA--C 1.507 -0.7 0 CA-C-N 115.467 -0.788 . . . . 7.99 109.045 170.485 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.58 ' HD2' ' CZ ' ' B' ' 105' ' ' TYR . 66.1 tttt -124.73 123.87 40.94 Favored 'General case' 0 C--O 1.25 1.13 0 O-C-N 124.374 1.046 . . . . 23.7 109.183 165.308 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 50.81 41.71 26.84 Favored 'General case' 0 C--O 1.213 -0.845 0 O-C-N 124.154 0.909 . . . . 19.57 110.087 -177.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.76 -20.09 25.83 Favored Glycine 0 C--O 1.221 -0.675 0 N-CA-C 116.029 1.172 . . . . 5.45 116.029 178.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 13.4 t -85.84 136.06 23.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 118.643 1.222 . . . . 9.15 113.654 -179.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -75.89 132.07 40.07 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 116.027 -0.533 . . . . 22.68 111.701 -179.451 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 97.3 mt -103.93 140.26 37.94 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 113.324 0.861 . . . . 10.23 113.324 -174.537 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -122.5 179.91 16.05 Favored Glycine 0 N--CA 1.44 -1.085 0 N-CA-C 108.571 -1.811 . . . . 17.92 108.571 171.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -68.25 145.14 65.15 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.716 2.277 . . . . 22.78 111.655 177.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 38.8 p30 -146.64 -163.49 1.76 Allowed 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.167 -0.613 . . . . 33.85 111.509 166.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.44 -18.61 61.68 Favored 'General case' 0 C--O 1.217 -0.629 0 C-N-CA 119.392 -0.923 . . . . 75.1 112.913 -171.891 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' ARG . . . . . 0.525 ' NH2' ' OD2' ' B' ' 101' ' ' ASP . 6.8 ptm180 -116.43 -0.34 12.55 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.269 0.84 . . . . 50.78 113.269 174.89 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 8.0 m -120.0 131.89 55.3 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 109.084 -0.71 . . . . 20.51 109.084 -178.36 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 54.3 t -128.01 135.92 61.59 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.405 0 N-CA-C 107.193 -1.41 . . . . 9.82 107.193 174.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 8.0 mp -123.85 118.7 27.71 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 106.728 -1.582 . . . . 19.59 106.728 -179.543 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 20.1 tt -152.39 129.05 1.97 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.496 0 C-N-CA 119.159 -1.017 . . . . 21.07 111.984 -175.093 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 61.13 -113.93 6.15 Favored Glycine 0 C--O 1.255 1.465 0 N-CA-C 109.937 -1.265 . . . . 24.08 109.937 -172.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 25.4 pm0 -112.17 14.26 20.61 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 113.515 -1.342 . . . . 36.07 108.76 -175.499 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' TYR . . . . . 0.476 ' O ' ' O ' ' B' ' 203' ' ' HOH . 67.2 m-85 -112.77 147.98 35.76 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.952 -1.022 . . . . 40.62 113.443 -173.569 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' LEU . . . . . 0.588 HD12 HD12 ' B' ' 60' ' ' LEU . 1.6 tm? -128.91 122.26 29.87 Favored 'General case' 0 CA--C 1.494 -1.205 0 N-CA-C 104.601 -2.37 . . . . 14.18 104.601 175.794 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.58 132.39 53.44 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 119.45 -0.9 . . . . 26.53 111.568 175.811 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 56.3 mt -129.43 116.55 39.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 N-CA-C 106.069 -1.826 . . . . 31.32 106.069 175.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -100.93 146.36 27.47 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 119.888 -0.725 . . . . 33.53 110.983 -178.59 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.1 49.6 4.42 Favored Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 111.141 -0.784 . . . . 40.77 111.141 -177.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.49 129.21 39.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 122.028 0.918 . . . . 26.34 112.023 -178.15 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' THR . . . . . . . . . . . . . 28.1 p -123.09 155.19 64.71 Favored Pre-proline 0 C--N 1.319 -0.755 0 N-CA-C 106.503 -1.665 . . . . 44.54 106.503 172.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' PRO . . . . . 0.486 ' O ' ' OG ' ' B' ' 102' ' ' SER . 52.8 Cg_exo -53.71 -16.19 7.88 Favored 'Trans proline' 0 CA--C 1.53 0.322 0 N-CA-C 115.037 1.129 . . . . 46.2 115.037 -175.058 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -88.84 0.24 56.73 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 119.384 -0.927 . . . . 205.02 111.065 179.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' ASP . . . . . 0.525 ' OD2' ' NH2' ' B' ' 84' ' ' ARG . 25.9 m-20 -83.96 -12.77 54.83 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.089 -0.708 . . . . 33.03 109.089 175.304 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' SER . . . . . 0.486 ' OG ' ' O ' ' B' ' 99' ' ' PRO . 0.0 OUTLIER -70.46 156.08 39.85 Favored 'General case' 0 CA--C 1.51 -0.565 0 N-CA-C 109.459 -0.571 . . . . 33.13 109.459 175.886 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 154.35 -175.17 32.62 Favored Glycine 0 C--O 1.208 -1.473 0 N-CA-C 108.204 -1.958 . . . . 8.01 108.204 -175.581 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.1 106.04 18.28 Favored 'General case' 0 C--N 1.312 -1.056 0 C-N-CA 118.863 -1.135 . . . . 10.9 111.576 178.257 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' TYR . . . . . 0.58 ' CZ ' ' HD2' ' B' ' 74' ' ' LYS . 26.0 m-85 -91.31 156.11 18.03 Favored 'General case' 0 C--O 1.242 0.703 0 N-CA-C 106.748 -1.575 . . . . 12.42 106.748 179.152 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -151.92 142.04 22.25 Favored 'General case' 0 CA--C 1.505 -0.775 0 N-CA-C 107.806 -1.183 . . . . 10.94 107.806 176.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 16.1 p -120.56 136.47 54.79 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 108.585 -0.895 . . . . 11.87 108.585 177.99 73.142 121.299 85.265 110.58 2.025 106.085 69.957 -159.396 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.6 164.28 28.59 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 124.563 1.164 . . . . 12.48 110.044 176.837 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.804 0 O-C-N 121.706 -0.622 . . . . 29.88 110.085 173.828 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 13.3 t . . . . . 0 C--O 1.236 0.372 0 N-CA-C 113.518 0.933 . . . . 47.68 113.518 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -85.11 144.19 28.37 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 119.941 -0.704 . . . . 48.02 111.405 -169.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 5.5 t -143.75 139.14 29.27 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-N 115.316 -0.857 . . . . 19.9 110.538 -170.457 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' TRP . . . . . 0.499 ' HD1' ' CZ ' ' B' ' 120' ' ' PHE . 73.1 t-105 -122.83 138.77 54.55 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 108.807 -0.812 . . . . 42.35 108.807 178.727 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 7.3 mt -121.71 144.61 30.32 Favored 'Isoleucine or valine' 0 C--O 1.244 0.804 0 N-CA-C 116.845 2.165 . . . . 16.27 116.845 -170.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' PHE . . . . . 0.499 ' CZ ' ' HD1' ' B' ' 118' ' ' TRP . 53.3 m-85 -132.14 128.65 38.52 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 113.525 0.935 . . . . 12.27 113.525 -176.998 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 1.6 mmm -96.93 115.92 28.27 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.526 -0.916 . . . . 63.87 108.526 169.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 79.6 t -99.55 126.47 52.91 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.778 0 N-CA-C 107.932 -1.136 . . . . 17.21 107.932 -174.269 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -122.66 105.12 9.8 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 120.931 0.396 . . . . 44.37 111.188 177.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 6.7 t -91.41 113.36 26.85 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 CA-C-N 115.317 -0.856 . . . . 42.19 109.251 175.477 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 125' ' ' THR . . . . . 0.438 ' O ' ' HD3' ' B' ' 54' ' ' PRO . 12.5 t -151.23 156.8 41.63 Favored 'General case' 0 C--O 1.248 0.994 0 CA-C-N 115.619 -0.719 . . . . 58.92 109.14 -178.641 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.68 -7.35 59.65 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 108.327 -0.99 . . . . 67.63 108.327 171.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.545 0 CA-C-N 114.679 -1.146 . . . . 72.33 108.745 178.722 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . 0.476 ' O ' ' O ' ' B' ' 91' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_