data_1ep8_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 1ep8 _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 2.236 0 CA-C-O 121.241 0.356 . . . . 64.4 112.25 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 3' ' ' SER . . . -125.86 -11.63 3.91 Favored Glycine 0 N--CA 1.482 1.754 0 O-C-N 121.957 -0.731 . . . . 61.41 111.574 -178.836 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 2' ' ' GLY . 20.7 p 140.95 44.01 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.374 0 C-N-CA 126.796 2.038 . . . . 52.69 106.932 179.816 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 39.5 t -100.15 131.74 47.06 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.626 0 N-CA-C 107.36 -1.348 . . . . 37.81 107.36 -179.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 72.7 mt -93.45 122.98 45.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 O-C-N 123.804 0.69 . . . . 27.96 110.935 -179.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.9 t -88.12 124.84 41.46 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.347 0 N-CA-C 108.271 -1.011 . . . . 27.39 108.271 -178.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.9 mm -91.96 124.88 44.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 N-CA-C 105.893 -1.892 . . . . 24.79 105.893 -176.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -114.22 -1.44 13.63 Favored 'General case' 0 C--O 1.214 -0.785 0 N-CA-C 113.725 1.009 . . . . 41.34 113.725 -178.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.0 p -163.03 164.46 25.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.607 0.718 . . . . 26.63 111.88 -179.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.9 tptm -63.18 -35.07 79.08 Favored 'General case' 0 CA--C 1.561 1.368 0 CA-C-O 122.068 0.937 . . . . 40.16 109.486 177.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.71 -44.46 93.53 Favored 'General case' 0 C--O 1.209 -1.043 0 N-CA-C 109.086 -0.709 . . . . 23.39 109.086 -178.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.05 -40.58 87.16 Favored 'General case' 0 CA--C 1.56 1.339 0 N-CA-C 107.167 -1.419 . . . . 20.09 107.167 179.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 66.7 t-105 -54.57 -52.81 60.95 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 109.063 -0.717 . . . . 22.66 109.063 178.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -62.63 -38.86 91.89 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.371 0.669 . . . . 25.52 111.639 179.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.37 -39.85 89.36 Favored 'General case' 0 CA--C 1.509 -0.619 0 C-N-CA 119.279 -0.969 . . . . 16.56 110.136 179.293 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -73.08 -30.65 63.84 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 118.697 -1.201 . . . . 19.47 111.796 -177.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.3 mt -70.28 -36.19 74.21 Favored 'General case' 0 CA--C 1.522 -0.134 0 C-N-CA 118.62 -1.232 . . . . 23.39 108.355 177.151 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.45 -37.71 83.38 Favored 'General case' 0 C--O 1.258 1.51 0 C-N-CA 119.559 -0.857 . . . . 20.55 110.222 179.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -58.05 -47.68 82.39 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 107.779 -1.193 . . . . 24.22 107.779 178.965 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.26 -40.3 84.26 Favored Glycine 0 CA--C 1.534 1.227 0 N-CA-C 110.691 -0.964 . . . . 20.45 110.691 178.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . 0.448 ' NZ ' ' O ' ' A' ' 244' ' ' HOH . 24.0 tttm -70.0 -39.5 75.83 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-N 118.384 1.092 . . . . 36.98 110.778 178.953 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -70.68 -41.01 72.58 Favored 'General case' 0 C--N 1.344 0.362 0 N-CA-C 112.845 0.683 . . . . 37.19 112.845 -178.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -85.34 -7.8 58.79 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 112.912 0.708 . . . . 25.23 112.912 -179.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 55.1 54.71 8.5 Favored 'General case' 0 C--O 1.206 -1.188 0 CA-C-O 121.508 0.671 . . . . 22.75 109.249 -179.064 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -132.0 141.03 40.0 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 103.381 -2.822 . . . . 30.02 103.381 177.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -71.95 157.82 53.91 Favored 'Trans proline' 0 CA--C 1.56 1.805 0 N-CA-C 108.589 -1.35 . . . . 20.52 108.589 178.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.9 mt -118.22 138.35 49.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.243 -1.021 . . . . 20.98 108.243 177.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 72.0 t -119.82 125.36 74.23 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.883 0 N-CA-C 102.719 -3.067 . . . . 18.86 102.719 177.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.3 t -115.3 138.22 46.35 Favored 'Isoleucine or valine' 0 C--O 1.242 0.674 0 CA-C-N 115.021 -0.991 . . . . 17.33 109.311 -177.244 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.77 120.62 43.04 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 106.396 -1.705 . . . . 17.92 106.396 175.127 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -99.76 118.64 36.68 Favored 'General case' 0 C--O 1.243 0.753 0 N-CA-C 102.099 -3.297 . . . . 19.95 102.099 176.425 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.3 t -132.6 174.13 10.6 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 114.611 -1.177 . . . . 29.85 112.74 -176.522 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -150.1 142.87 24.69 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.234 -1.024 . . . . 22.18 108.234 176.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' THR . . . . . 0.564 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . 27.7 p -57.58 -30.51 65.34 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 121.213 0.53 . . . . 30.95 111.327 178.811 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 29.8 p-90 -85.76 -1.7 57.47 Favored 'General case' 0 C--O 1.242 0.692 0 C-N-CA 118.726 -1.19 . . . . 28.47 113.416 -179.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 44.6 t -86.14 108.71 18.44 Favored 'General case' 0 C--O 1.253 1.283 0 N-CA-C 117.347 2.351 . . . . 28.2 117.347 -178.377 176.439 -139.955 79.36 95.317 2.005 112.668 76.034 -53.0 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.6 -59.17 10.62 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 117.39 1.716 . . . . 29.48 117.39 -178.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -65.28 -24.83 57.63 Favored 'Trans proline' 0 C--O 1.215 -0.669 0 CA-C-N 117.656 0.728 . . . . 32.06 112.018 179.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.8 m -63.35 -45.37 91.52 Favored 'General case' 0 CA--C 1.554 1.131 0 N-CA-C 108.246 -1.02 . . . . 34.26 108.246 178.237 -53.0 76.034 79.36 112.668 2.005 95.317 -139.955 176.439 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LYS . . . . . 0.564 ' NZ ' ' O ' ' A' ' 34' ' ' THR . 13.3 mttp -60.08 -40.73 90.58 Favored 'General case' 0 C--O 1.211 -0.93 0 C-N-CA 119.774 -0.771 . . . . 54.04 110.008 179.359 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -58.94 -42.0 88.76 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.828 1.047 . . . . 57.07 113.828 179.223 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -88.15 -18.98 7.91 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 N-CA-C 114.298 1.222 . . . . 32.06 114.298 -176.526 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.9 -37.83 37.73 Favored Pre-proline 0 CA--C 1.543 0.677 0 N-CA-C 114.965 1.468 . . . . 30.45 114.965 -178.11 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_exo -64.54 -38.92 30.27 Favored 'Trans proline' 0 C--O 1.245 0.835 0 C-N-CA 114.332 -3.312 . . . . 34.09 113.624 -179.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.6 tp -62.2 -45.71 92.14 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 116.111 -0.495 . . . . 32.05 110.144 -179.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -56.97 -42.83 80.88 Favored 'General case' 0 C--O 1.252 1.231 0 CA-C-O 121.616 0.722 . . . . 28.52 110.054 -178.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -63.21 -43.1 99.08 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.062 -0.972 . . . . 48.47 111.703 178.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.5 m -63.99 -44.83 91.49 Favored 'General case' 0 C--O 1.253 1.269 0 N-CA-C 108.84 -0.8 . . . . 34.52 108.84 178.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 46.4 mt -59.25 -31.77 69.37 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.548 -0.751 . . . . 31.12 110.741 179.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.6 p -70.1 -28.42 65.39 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 117.839 -1.545 . . . . 35.32 110.619 -178.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -73.85 -48.79 28.64 Favored 'General case' 0 CA--C 1.5 -0.971 0 C-N-CA 119.391 -0.924 . . . . 49.89 108.958 178.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -59.02 -24.01 62.44 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 115.237 1.569 . . . . 42.47 115.237 -178.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -116.36 12.7 15.36 Favored 'General case' 0 CA--C 1.505 -0.769 0 C-N-CA 119.027 -1.069 . . . . 36.8 110.964 179.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -46.08 131.85 9.8 Favored 'General case' 0 C--O 1.226 -0.183 0 N-CA-C 106.527 -1.657 . . . . 31.11 106.527 178.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.88 -21.95 20.62 Favored Glycine 0 C--O 1.217 -0.947 0 N-CA-C 116.52 1.368 . . . . 31.53 116.52 -179.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -103.88 -33.44 8.86 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 118.166 0.983 . . . . 51.82 111.471 179.089 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.1 t -137.13 146.12 28.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 106.312 -1.736 . . . . 24.78 106.312 -177.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 50.7 mt -98.34 137.9 24.53 Favored 'Isoleucine or valine' 0 C--O 1.254 1.29 0 N-CA-C 106.121 -1.807 . . . . 20.08 106.121 178.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -117.93 128.2 54.58 Favored 'General case' 0 CA--C 1.501 -0.907 0 CA-C-O 119.497 -0.287 . . . . 23.72 111.374 -178.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.3 mt -123.78 152.76 41.85 Favored 'General case' 0 C--O 1.259 1.605 0 O-C-N 123.766 0.666 . . . . 19.16 109.997 179.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.3 tttp -127.27 132.29 50.38 Favored 'General case' 0 C--O 1.254 1.291 0 CA-C-O 122.335 1.064 . . . . 37.3 108.624 178.658 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 87.5 t -125.15 118.25 52.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 114.908 -1.042 . . . . 18.29 110.464 -179.63 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -88.97 110.87 21.49 Favored 'General case' 0 C--O 1.258 1.514 0 N-CA-C 101.202 -3.629 . . . . 37.19 101.202 177.724 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.9 m -58.86 -31.89 45.97 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.749 0 N-CA-C 116.346 1.98 . . . . 23.52 116.346 -175.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ASP . . . . . 0.956 ' OD2' ' OD2' ' B' ' 65' ' ' ASP . 75.2 m-20 -72.1 -45.04 62.19 Favored 'General case' 0 N--CA 1.44 -0.967 0 C-N-CA 118.187 -1.405 . . . . 39.74 107.352 179.773 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.43 -28.77 70.03 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 115.786 1.773 . . . . 30.51 115.786 179.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.8 t -132.75 64.27 0.3 Allowed 'Isoleucine or valine' 0 C--O 1.263 1.77 0 CA-C-O 121.296 0.57 . . . . 29.5 112.161 -179.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -49.14 -44.25 42.42 Favored 'General case' 0 C--O 1.25 1.12 0 N-CA-C 115.935 1.828 . . . . 26.08 115.935 -177.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.6 -42.43 71.1 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 120.452 -0.499 . . . . 27.84 111.478 -178.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 46.9 t -69.71 -47.53 70.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.867 0.841 . . . . 26.99 110.469 -178.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.85 -45.47 82.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.098 -0.956 . . . . 25.53 108.92 -179.076 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -63.5 -52.34 61.66 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 115.376 -0.829 . . . . 38.01 112.245 -178.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.07 -34.28 73.23 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 119.405 -0.918 . . . . 23.68 110.575 -179.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.61 -7.21 49.13 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.897 -0.502 . . . . 22.17 111.704 -179.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.42 32.65 83.73 Favored Glycine 0 CA--C 1.54 1.606 0 N-CA-C 118.633 2.213 . . . . 27.81 118.633 -178.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -78.31 142.73 13.72 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.485 0 O-C-N 119.806 -1.997 . . . . 31.88 115.726 -179.881 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.8 p -130.83 -29.33 1.91 Allowed 'General case' 0 CA--C 1.55 0.975 0 O-C-N 121.118 -0.988 . . . . 22.37 112.635 -179.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -122.28 154.76 37.15 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-O 122.029 0.919 . . . . 20.7 108.954 177.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.34 144.84 54.88 Favored Pre-proline 0 N--CA 1.43 -1.465 0 CA-C-N 115.905 -0.589 . . . . 35.31 111.514 -177.172 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -81.51 162.11 79.74 Favored 'Cis proline' 0 CA--C 1.5 -1.204 0 C-N-CA 123.019 -1.659 . . . . 23.62 112.315 0.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 16.4 m -130.09 136.41 49.31 Favored 'General case' 0 CA--C 1.497 -1.065 0 N-CA-C 106.559 -1.645 . . . . 17.68 106.559 176.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -119.86 137.15 54.18 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 108.242 -1.021 . . . . 17.05 108.242 177.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -121.71 152.62 39.2 Favored 'General case' 0 C--O 1.258 1.518 0 N-CA-C 107.887 -1.153 . . . . 18.21 107.887 177.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 73.9 t -117.02 129.31 73.78 Favored 'Isoleucine or valine' 0 C--O 1.242 0.691 0 N-CA-C 104.743 -2.318 . . . . 20.94 104.743 172.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -115.88 138.26 51.33 Favored 'General case' 0 C--O 1.254 1.342 0 O-C-N 121.761 -0.587 . . . . 18.48 109.628 176.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -137.87 131.59 31.25 Favored 'General case' 0 C--O 1.251 1.162 0 N-CA-C 106.006 -1.85 . . . . 38.47 106.006 177.437 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 53.75 38.99 29.71 Favored 'General case' 0 CA--C 1.506 -0.739 0 N-CA-C 113.694 0.998 . . . . 30.43 113.694 179.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 84.83 -3.08 87.66 Favored Glycine 0 C--O 1.224 -0.481 0 N-CA-C 117.878 1.911 . . . . 20.49 117.878 177.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 27.7 m -130.63 159.59 42.53 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 CA-C-N 118.7 1.25 . . . . 19.55 113.588 -177.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.0 tttt -70.91 130.85 42.68 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 119.779 -0.768 . . . . 30.26 110.185 -179.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -121.23 -9.16 9.15 Favored 'General case' 0 CA--C 1.505 -0.764 0 N-CA-C 113.507 0.929 . . . . 20.0 113.507 -179.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -172.87 161.84 4.66 Favored 'General case' 0 C--O 1.276 2.481 0 N-CA-C 108.161 -1.052 . . . . 25.7 108.161 179.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.6 p30 -153.58 173.24 16.02 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 113.653 0.983 . . . . 24.09 113.653 177.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 49.7 tp -157.2 132.24 8.91 Favored 'General case' 0 C--O 1.249 1.074 0 N-CA-C 104.81 -2.293 . . . . 19.72 104.81 179.374 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 80.3 t -121.94 125.05 72.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 N-CA-C 108.775 -0.824 . . . . 23.32 108.775 -179.001 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 121.26 169.33 13.7 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 121.285 -0.483 . . . . 27.02 111.91 179.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.4 43.08 1.08 Allowed 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 115.644 1.72 . . . . 32.0 115.644 -178.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.6 t -79.26 114.36 18.13 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.874 -0.417 . . . . 35.41 109.874 178.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -64.07 -45.58 88.15 Favored 'General case' 0 CA--C 1.505 -0.787 0 C-N-CA 118.964 -1.094 . . . . 43.65 113.475 179.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -60.77 -36.48 79.06 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 114.422 1.268 . . . . 49.13 114.422 179.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -72.46 -39.03 68.07 Favored 'General case' 0 N--CA 1.429 -1.52 0 C-N-CA 118.417 -1.313 . . . . 35.27 111.681 179.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 36.6 tp -59.32 -44.51 92.58 Favored 'General case' 0 CA--C 1.56 1.327 0 CA-C-O 121.993 0.902 . . . . 27.08 109.472 179.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -58.86 -45.29 90.47 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-O 121.652 0.739 . . . . 45.0 112.108 178.577 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.44 -40.67 97.34 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 114.72 -1.127 . . . . 29.74 110.7 -178.003 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.5 tp -64.22 -50.48 67.87 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 115.393 -0.821 . . . . 30.54 111.366 178.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 57.7 t -62.36 -52.58 58.38 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.718 0 N-CA-C 109.2 -0.667 . . . . 28.22 109.2 179.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -52.9 -46.87 68.19 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.983 0.42 . . . . 28.4 110.158 179.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.6 ttpp -55.11 -49.12 72.55 Favored 'General case' 0 N--CA 1.437 -1.115 0 C-N-CA 118.921 -1.111 . . . . 44.11 112.852 -179.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -81.54 -20.09 40.73 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 115.638 1.718 . . . . 36.8 115.638 -176.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 112' ' ' ALA . . . -73.74 -43.26 59.61 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 107.633 -1.247 . . . . 50.88 107.633 179.419 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -70.53 39.99 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.165 -0.47 . . . . 62.07 110.563 -179.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 110' ' ' ALA . . . . . . . . 0 C--O 1.251 1.161 0 CA-C-O 117.894 -1.05 . . . . 68.81 110.03 -179.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.93 0 CA-C-O 118.433 -1.204 . . . . 23.76 110.621 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 57.65 -144.2 41.21 Favored Glycine 0 C--N 1.353 1.482 0 N-CA-C 106.971 -2.451 . . . . 22.9 106.971 -179.096 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 11.9 m -101.52 17.11 23.62 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 121.882 -0.775 . . . . 27.78 112.4 178.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 96.4 t -65.69 131.94 31.4 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 C-N-CA 119.888 -0.725 . . . . 21.25 112.06 -178.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 53.8 mt -95.6 129.19 46.05 Favored 'Isoleucine or valine' 0 C--O 1.255 1.358 0 N-CA-C 107.316 -1.364 . . . . 21.77 107.316 177.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -97.02 129.38 47.15 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.58 0 C-N-CA 115.592 -2.443 . . . . 25.26 109.603 179.365 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 1.1 mp -86.76 127.77 40.15 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.198 0 CA-C-N 114.927 -1.033 . . . . 27.14 108.834 -178.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 52.2 p30 -118.13 1.51 11.95 Favored 'General case' 0 C--O 1.256 1.41 0 N-CA-C 114.506 1.298 . . . . 39.21 114.506 179.11 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 82.7 p -157.13 160.28 38.66 Favored 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 109.641 -0.503 . . . . 23.37 109.641 179.36 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 43.0 tptt -64.05 -32.44 73.99 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-O 122.034 0.921 . . . . 35.8 109.815 178.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.59 -37.45 84.94 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 115.738 -0.665 . . . . 21.32 110.608 179.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.37 -38.67 71.55 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 106.802 -1.555 . . . . 19.8 106.802 -179.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' TRP . . . . . . . . . . . . . 28.6 t-105 -59.12 -47.2 86.14 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.036 -0.984 . . . . 22.07 110.991 179.815 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -64.51 -38.66 91.79 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 110.035 -0.357 . . . . 29.89 110.035 -178.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.2 -41.39 97.08 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 119.38 -0.343 . . . . 22.02 111.75 -179.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -68.63 -40.49 80.29 Favored 'General case' 0 C--O 1.25 1.088 0 N-CA-C 112.587 0.588 . . . . 25.03 112.587 179.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.13 -41.47 97.2 Favored 'General case' 0 C--N 1.348 0.52 0 C-N-CA 120.58 -0.448 . . . . 23.79 109.832 179.196 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.41 -43.87 98.12 Favored 'General case' 0 C--O 1.243 0.76 0 C-N-CA 121.393 -0.123 . . . . 25.01 111.072 177.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' LYS . . . . . 0.507 ' NZ ' ' O ' ' B' ' 209' ' ' HOH . 22.1 ttpt -58.42 -48.76 79.64 Favored 'General case' 0 C--O 1.222 -0.343 0 N-CA-C 108.594 -0.891 . . . . 36.02 108.594 179.967 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' B' ' 24' ' ' HIS . . . -54.91 -38.34 64.77 Favored Glycine 0 C--N 1.31 -0.881 0 N-CA-C 110.14 -1.184 . . . . 30.75 110.14 179.39 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 71.4 tttt -72.2 -45.08 61.79 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 118.055 -1.458 . . . . 42.35 110.165 -179.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.79 -49.36 73.38 Favored 'General case' 0 CA--C 1.487 -1.463 0 CA-C-N 115.405 -0.816 . . . . 61.43 109.753 178.434 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -85.22 -8.21 58.67 Favored 'General case' 0 C--N 1.301 -1.536 1 O-C-N 130.126 4.641 . . . . 55.83 113.665 -175.601 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' B' ' 20' ' ' GLY . 75.1 m80 44.39 52.61 7.28 Favored 'General case' 0 C--N 1.269 -2.901 0 O-C-N 120.662 -1.274 . . . . 52.16 113.394 177.838 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 21.2 mttt -117.91 131.94 23.91 Favored Pre-proline 0 N--CA 1.492 1.655 0 N-CA-C 106.164 -1.791 . . . . 50.18 106.164 174.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -64.32 154.97 68.34 Favored 'Trans proline' 0 C--O 1.274 2.298 0 CA-C-N 124.691 2.711 . . . . 32.12 109.656 -179.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 88.0 mt -118.46 127.62 75.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.688 -0.856 . . . . 25.43 108.688 178.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 6.6 p -109.17 128.76 64.84 Favored 'Isoleucine or valine' 0 C--O 1.247 0.939 0 C-N-CA 118.152 -1.419 . . . . 29.45 108.63 174.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 11.6 t -116.79 132.07 67.59 Favored 'Isoleucine or valine' 0 C--O 1.251 1.162 0 CA-C-N 114.534 -1.212 . . . . 20.68 113.294 -177.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.73 120.76 42.5 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 113.835 -1.53 . . . . 18.15 107.298 176.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -100.86 114.86 29.09 Favored 'General case' 0 C--O 1.255 1.346 0 N-CA-C 106.62 -1.622 . . . . 24.53 106.62 176.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' THR . . . . . 0.553 ' C ' ' CE ' ' B' ' 79' ' ' MET . 20.8 p -128.71 -179.37 5.03 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 123.862 0.727 . . . . 27.93 112.342 179.815 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -155.49 151.69 28.01 Favored 'General case' 0 CA--C 1.493 -1.213 0 N-CA-C 104.232 -2.506 . . . . 22.05 104.232 179.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 21.8 m -57.09 -41.88 79.67 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.346 -0.843 . . . . 36.55 110.766 179.463 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 35.9 p-90 -77.76 -1.25 30.41 Favored 'General case' 0 CA--C 1.493 -1.233 0 N-CA-C 115.309 1.596 . . . . 26.0 115.309 -175.553 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 50.8 t -85.14 110.85 19.29 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 113.537 0.94 . . . . 27.77 113.537 -177.961 179.644 -145.377 77.263 97.567 2.019 102.635 83.561 -65.316 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.19 -65.88 2.78 Favored Glycine 0 C--N 1.338 0.642 0 CA-C-N 115.008 -0.996 . . . . 30.71 111.828 -179.274 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -49.73 -33.24 31.49 Favored 'Trans proline' 0 CA--C 1.515 -0.44 0 C-N-CA 122.253 1.969 . . . . 31.37 111.006 -179.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 97.4 m -55.66 -45.48 77.68 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 119.022 -1.071 . . . . 30.36 110.576 179.158 -65.316 83.561 77.263 102.635 2.019 97.567 -145.377 179.644 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -66.22 -27.95 68.37 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 119.173 -1.011 . . . . 53.24 113.309 -179.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -30.86 65.48 Favored 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 113.125 0.787 . . . . 62.13 113.125 -178.013 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 5.6 tp -96.86 -10.19 8.91 Favored 'Isoleucine or valine' 0 C--N 1.384 2.077 0 C-N-CA 119.372 -0.931 . . . . 31.62 109.852 -177.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.7 -46.57 98.27 Favored Pre-proline 0 C--N 1.345 0.399 0 N-CA-C 117.437 2.384 . . . . 28.55 117.437 -178.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -57.53 -43.2 53.2 Favored 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 121.232 1.288 . . . . 28.93 110.394 179.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -46.46 89.41 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.572 -0.74 . . . . 28.63 109.406 -179.334 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -61.37 -44.46 97.12 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 106.975 -1.491 . . . . 24.21 106.975 -179.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -61.27 -37.09 81.88 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 114.165 1.172 . . . . 35.79 114.165 178.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 15.7 m -66.18 -45.87 79.33 Favored 'General case' 0 C--O 1.251 1.172 0 CA-C-O 122.61 1.195 . . . . 28.77 110.479 178.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 48.0 mt -61.74 -32.02 72.23 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 114.371 -1.286 . . . . 25.16 110.468 177.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 84.3 p -67.47 -27.21 66.83 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-N 118.95 0.795 . . . . 23.9 110.315 -179.026 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -77.91 -54.15 6.64 Favored 'General case' 0 C--O 1.212 -0.891 0 N-CA-C 108.753 -0.832 . . . . 31.6 108.753 177.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -55.3 -30.66 60.61 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.171 0.804 . . . . 39.4 113.171 -178.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -109.46 15.78 22.74 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 113.241 0.83 . . . . 36.85 113.241 -178.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.54 127.28 27.1 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 109.166 -0.679 . . . . 33.48 109.166 -179.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.37 -13.78 66.8 Favored Glycine 0 C--N 1.34 0.771 0 N-CA-C 116.94 1.536 . . . . 38.93 116.94 179.52 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 64.6 mttt -109.08 -37.46 5.8 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 121.916 0.865 . . . . 56.48 110.103 178.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 94.8 t -132.77 133.49 59.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-N 113.525 -1.67 . . . . 30.89 111.12 -177.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 36.2 mt -90.68 125.97 43.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 N-CA-C 107.18 -1.415 . . . . 32.91 107.18 178.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -107.95 131.02 54.98 Favored 'General case' 0 C--O 1.246 0.909 0 CA-C-O 121.511 0.672 . . . . 24.26 109.517 -179.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 mp -125.57 147.29 49.33 Favored 'General case' 0 C--O 1.244 0.813 0 CA-C-N 114.714 -1.13 . . . . 19.58 111.498 -178.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -124.74 134.06 52.95 Favored 'General case' 0 CA--C 1.556 1.2 0 N-CA-C 107.849 -1.167 . . . . 38.11 107.849 176.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 93.5 t -129.73 114.46 30.58 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.886 0 CA-C-O 121.485 0.66 . . . . 20.06 110.505 -179.003 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' ASP . . . . . 0.446 ' OD2' ' CB ' ' B' ' 65' ' ' ASP . 9.6 t70 -80.67 113.89 19.18 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 104.318 -2.475 . . . . 43.38 104.318 176.566 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 14.3 m -56.55 -27.56 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 CA-C-O 121.7 0.762 . . . . 27.79 113.037 -178.277 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' ASP . . . . . 0.956 ' OD2' ' OD2' ' A' ' 65' ' ' ASP . 87.7 m-20 -64.81 -50.21 67.62 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 126.726 2.01 . . . . 53.02 112.95 178.825 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.18 -26.97 39.03 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 114.484 1.29 . . . . 32.77 114.484 -178.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 3.5 t -129.73 63.01 0.3 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.263 0 N-CA-C 113.744 1.016 . . . . 28.96 113.744 -179.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -47.29 -44.25 23.09 Favored 'General case' 0 CA--C 1.495 -1.144 0 N-CA-C 115.445 1.646 . . . . 27.37 115.445 -178.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.34 -44.31 75.78 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 119.847 -0.741 . . . . 27.76 112.05 -178.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 50.6 t -70.17 -38.83 75.92 Favored 'Isoleucine or valine' 0 C--O 1.242 0.7 0 C-N-CA 119.888 -0.725 . . . . 26.17 112.231 -178.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.57 -40.7 95.68 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-O 121.527 0.679 . . . . 23.99 110.02 179.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -65.26 -54.67 25.78 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 114.987 -1.006 . . . . 49.88 109.398 -178.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.12 -35.24 59.47 Favored 'General case' 0 C--O 1.226 -0.182 0 N-CA-C 112.652 0.612 . . . . 28.9 112.652 178.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.98 -10.39 59.57 Favored 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 116.68 2.104 . . . . 26.8 116.68 -178.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.19 33.6 59.03 Favored Glycine 0 CA--C 1.524 0.613 0 C-N-CA 119.316 -1.421 . . . . 26.41 114.822 178.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 10.6 mm -74.11 133.76 30.95 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.441 0 CA-C-O 121.214 0.53 . . . . 29.29 110.819 -178.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -132.6 -23.94 2.03 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 114.122 1.156 . . . . 35.11 114.122 -177.52 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -141.45 149.94 41.63 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.646 -0.706 . . . . 25.75 110.893 -177.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' MET . . . . . 0.553 ' CE ' ' C ' ' B' ' 32' ' ' THR . 3.5 mmt -116.04 138.79 24.37 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 124.048 0.939 . . . . 37.17 111.439 -178.519 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -91.37 163.67 28.88 Favored 'Cis proline' 0 N--CA 1.461 -0.386 0 C-N-CA 121.086 -2.464 . . . . 23.21 107.722 -0.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 3.0 m -130.11 141.8 50.66 Favored 'General case' 0 C--O 1.247 0.932 0 N-CA-C 105.833 -1.914 . . . . 21.36 105.833 178.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -122.4 132.22 54.26 Favored 'General case' 0 C--O 1.256 1.415 0 N-CA-C 107.102 -1.444 . . . . 22.14 107.102 175.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' HIS . . . . . 0.42 ' ND1' ' OH ' ' B' ' 85' ' ' TYR . 26.3 m170 -112.54 155.05 24.98 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 108.381 -0.97 . . . . 23.32 108.381 174.959 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 11.7 t -122.26 125.39 72.82 Favored 'Isoleucine or valine' 0 C--O 1.249 1.047 0 N-CA-C 101.593 -3.484 . . . . 24.29 101.593 175.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' TYR . . . . . 0.42 ' OH ' ' ND1' ' B' ' 83' ' ' HIS . 78.1 m-85 -114.76 132.58 56.4 Favored 'General case' 0 C--O 1.244 0.804 0 N-CA-C 106.719 -1.586 . . . . 28.69 106.719 178.741 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 5.3 mtpp -133.99 124.61 26.59 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 104.052 -2.574 . . . . 52.59 104.052 178.021 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.25 34.54 15.92 Favored 'General case' 0 CA--C 1.505 -0.782 0 N-CA-C 114.747 1.388 . . . . 53.23 114.747 179.606 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 73.23 7.16 71.27 Favored Glycine 0 C--O 1.213 -1.197 0 N-CA-C 115.145 0.818 . . . . 32.82 115.145 176.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -127.86 146.02 34.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 C-N-CA 119.171 -1.012 . . . . 34.08 109.827 -178.564 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -64.99 121.19 14.09 Favored 'General case' 0 CA--C 1.554 1.096 0 C-N-CA 118.731 -1.188 . . . . 34.21 110.581 179.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -104.37 -19.57 14.02 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 115.236 1.569 . . . . 31.62 115.236 -178.214 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -168.59 160.25 10.7 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 106.552 -1.647 . . . . 33.09 106.552 -179.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 35.9 p30 -150.86 168.44 24.47 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 108.972 -0.751 . . . . 28.84 108.972 177.049 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 11.9 tp -151.98 129.09 11.11 Favored 'General case' 0 C--O 1.213 -0.84 0 N-CA-C 104.326 -2.472 . . . . 27.08 104.326 -178.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 52.6 t -117.09 134.55 60.3 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 N-CA-C 108.334 -0.988 . . . . 25.08 108.334 178.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 115.45 164.94 14.44 Favored Glycine 0 C--O 1.22 -0.776 0 C-N-CA 118.76 -1.686 . . . . 22.36 109.565 179.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -103.05 38.66 1.71 Allowed 'General case' 0 C--O 1.25 1.111 0 N-CA-C 115.884 1.809 . . . . 32.26 115.884 -176.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 10.6 t -76.06 114.67 14.98 Favored 'General case' 0 N--CA 1.437 -1.093 0 CA-C-N 115.727 -0.669 . . . . 32.37 110.919 178.432 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -63.76 -41.94 97.89 Favored 'General case' 0 C--O 1.25 1.088 0 N-CA-C 114.871 1.434 . . . . 50.51 114.871 178.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -64.58 -41.91 95.96 Favored 'General case' 0 CA--C 1.496 -1.125 0 C-N-CA 120.492 -0.483 . . . . 44.74 111.355 -178.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -66.86 -34.39 77.7 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 119.13 -1.028 . . . . 46.59 112.497 179.343 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 16.6 tp -66.19 -46.37 77.56 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 107.548 -1.279 . . . . 23.6 107.548 -179.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 16.0 mtmt -54.24 -46.92 72.69 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.596 -0.729 . . . . 42.64 111.66 178.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.69 -44.66 95.66 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.379 -0.828 . . . . 26.97 110.717 -179.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 42.0 tp -52.64 -54.89 27.03 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-O 122.111 0.958 . . . . 25.96 110.246 -179.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 75.9 t -61.54 -40.11 85.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 114.713 -1.131 . . . . 29.8 112.989 -177.118 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -66.04 -48.67 70.32 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 120.239 -0.584 . . . . 35.76 111.071 179.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -53.57 -42.46 67.59 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 118.291 -1.364 . . . . 50.97 113.09 -179.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -84.2 -19.59 33.76 Favored 'General case' 0 N--CA 1.436 -1.125 0 N-CA-C 115.691 1.738 . . . . 36.27 115.691 -178.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.68 -30.17 68.78 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.445 -0.576 . . . . 49.41 109.445 -179.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -101.86 46.96 0.91 Allowed 'General case' 0 C--O 1.24 0.563 0 N-CA-C 108.024 -1.102 . . . . 63.07 108.024 178.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.234 0 N-CA-C 115.923 1.823 . . . . 73.22 115.923 179.831 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 244' ' ' HOH . . . . . 0.448 ' O ' ' NZ ' ' A' ' 21' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 209' ' ' HOH . . . . . 0.507 ' O ' ' NZ ' ' B' ' 19' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . 0.579 ' HA3' ' CD ' ' A' ' 47' ' ' GLU . . . . . . . . 0 CA--C 1.55 2.236 0 CA-C-O 121.241 0.356 . . . . 64.4 112.25 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 3' ' ' SER . . . -125.86 -11.63 3.91 Favored Glycine 0 N--CA 1.482 1.754 0 O-C-N 121.957 -0.731 . . . . 61.41 111.574 -178.836 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 2' ' ' GLY . 20.7 p 140.95 44.01 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.374 0 C-N-CA 126.796 2.038 . . . . 52.69 106.932 179.816 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 39.5 t -100.15 131.74 47.06 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.626 0 N-CA-C 107.36 -1.348 . . . . 37.81 107.36 -179.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 72.7 mt -93.45 122.98 45.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 O-C-N 123.804 0.69 . . . . 27.96 110.935 -179.479 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.9 t -88.12 124.84 41.46 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.347 0 N-CA-C 108.271 -1.011 . . . . 27.39 108.271 -178.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.9 mm -91.96 124.88 44.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 N-CA-C 105.893 -1.892 . . . . 24.79 105.893 -176.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -114.22 -1.44 13.63 Favored 'General case' 0 C--O 1.214 -0.785 0 N-CA-C 113.725 1.009 . . . . 41.34 113.725 -178.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.0 p -163.03 164.46 25.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.607 0.718 . . . . 26.63 111.88 -179.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.9 tptm -63.18 -35.07 79.08 Favored 'General case' 0 CA--C 1.561 1.368 0 CA-C-O 122.068 0.937 . . . . 40.16 109.486 177.292 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.71 -44.46 93.53 Favored 'General case' 0 C--O 1.209 -1.043 0 N-CA-C 109.086 -0.709 . . . . 23.39 109.086 -178.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.05 -40.58 87.16 Favored 'General case' 0 CA--C 1.56 1.339 0 N-CA-C 107.167 -1.419 . . . . 20.09 107.167 179.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 66.7 t-105 -54.57 -52.81 60.95 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 109.063 -0.717 . . . . 22.66 109.063 178.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -62.63 -38.86 91.89 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.371 0.669 . . . . 25.52 111.639 179.811 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.37 -39.85 89.36 Favored 'General case' 0 CA--C 1.509 -0.619 0 C-N-CA 119.279 -0.969 . . . . 16.56 110.136 179.293 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -73.08 -30.65 63.84 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 118.697 -1.201 . . . . 19.47 111.796 -177.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.3 mt -70.28 -36.19 74.21 Favored 'General case' 0 CA--C 1.522 -0.134 0 C-N-CA 118.62 -1.232 . . . . 23.39 108.355 177.151 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.45 -37.71 83.38 Favored 'General case' 0 C--O 1.258 1.51 0 C-N-CA 119.559 -0.857 . . . . 20.55 110.222 179.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -58.05 -47.68 82.39 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 107.779 -1.193 . . . . 24.22 107.779 178.965 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.26 -40.3 84.26 Favored Glycine 0 CA--C 1.534 1.227 0 N-CA-C 110.691 -0.964 . . . . 20.45 110.691 178.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . 0.448 ' NZ ' ' O ' ' A' ' 244' ' ' HOH . 24.0 tttm -70.0 -39.5 75.83 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-N 118.384 1.092 . . . . 36.98 110.778 178.953 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -70.68 -41.01 72.58 Favored 'General case' 0 C--N 1.344 0.362 0 N-CA-C 112.845 0.683 . . . . 37.19 112.845 -178.371 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -85.34 -7.8 58.79 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 112.912 0.708 . . . . 25.23 112.912 -179.971 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 55.1 54.71 8.5 Favored 'General case' 0 C--O 1.206 -1.188 0 CA-C-O 121.508 0.671 . . . . 22.75 109.249 -179.064 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -132.0 141.03 40.0 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 103.381 -2.822 . . . . 30.02 103.381 177.727 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' PRO . . . . . 0.478 ' HG2' HG22 ' A' ' 57' ' ' VAL . 86.0 Cg_endo -71.95 157.82 53.91 Favored 'Trans proline' 0 CA--C 1.56 1.805 0 N-CA-C 108.589 -1.35 . . . . 20.52 108.589 178.875 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.9 mt -118.22 138.35 49.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.243 -1.021 . . . . 20.98 108.243 177.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 72.0 t -119.82 125.36 74.23 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.883 0 N-CA-C 102.719 -3.067 . . . . 18.86 102.719 177.413 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.3 t -115.3 138.22 46.35 Favored 'Isoleucine or valine' 0 C--O 1.242 0.674 0 CA-C-N 115.021 -0.991 . . . . 17.33 109.311 -177.244 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.77 120.62 43.04 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 106.396 -1.705 . . . . 17.92 106.396 175.127 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -99.76 118.64 36.68 Favored 'General case' 0 C--O 1.243 0.753 0 N-CA-C 102.099 -3.297 . . . . 19.95 102.099 176.425 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' THR . . . . . 0.42 HG21 ' NZ ' ' A' ' 61' ' ' LYS . 10.3 t -132.6 174.13 10.6 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 114.611 -1.177 . . . . 29.85 112.74 -176.522 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -150.1 142.87 24.69 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.234 -1.024 . . . . 22.18 108.234 176.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' THR . . . . . 0.484 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . 27.7 p -57.58 -30.51 65.34 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 121.213 0.53 . . . . 30.95 111.327 178.811 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 29.8 p-90 -85.76 -1.7 57.47 Favored 'General case' 0 C--O 1.242 0.692 0 C-N-CA 118.726 -1.19 . . . . 28.47 113.416 -179.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 44.6 t -86.14 108.71 18.44 Favored 'General case' 0 C--O 1.253 1.283 0 N-CA-C 117.347 2.351 . . . . 28.2 117.347 -178.377 176.439 -139.955 79.36 95.317 2.005 112.668 76.034 -53.0 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.6 -59.17 10.62 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 117.39 1.716 . . . . 29.48 117.39 -178.603 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -65.28 -24.83 57.63 Favored 'Trans proline' 0 C--O 1.215 -0.669 0 CA-C-N 117.656 0.728 . . . . 32.06 112.018 179.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.8 m -63.35 -45.37 91.52 Favored 'General case' 0 CA--C 1.554 1.131 0 N-CA-C 108.246 -1.02 . . . . 34.26 108.246 178.237 -53.0 76.034 79.36 112.668 2.005 95.317 -139.955 176.439 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LYS . . . . . 0.484 ' NZ ' ' O ' ' A' ' 34' ' ' THR . 13.3 mttp -60.08 -40.73 90.58 Favored 'General case' 0 C--O 1.211 -0.93 0 C-N-CA 119.774 -0.771 . . . . 54.04 110.008 179.359 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -58.94 -42.0 88.76 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.828 1.047 . . . . 57.07 113.828 179.223 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -88.15 -18.98 7.91 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 N-CA-C 114.298 1.222 . . . . 32.06 114.298 -176.526 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.9 -37.83 37.73 Favored Pre-proline 0 CA--C 1.543 0.677 0 N-CA-C 114.965 1.468 . . . . 30.45 114.965 -178.11 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_exo -64.54 -38.92 30.27 Favored 'Trans proline' 0 C--O 1.245 0.835 0 C-N-CA 114.332 -3.312 . . . . 34.09 113.624 -179.947 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.6 tp -62.2 -45.71 92.14 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 116.111 -0.495 . . . . 32.05 110.144 -179.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -56.97 -42.83 80.88 Favored 'General case' 0 C--O 1.252 1.231 0 CA-C-O 121.616 0.722 . . . . 28.52 110.054 -178.477 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLU . . . . . 0.579 ' CD ' ' HA3' ' A' ' 1' ' ' GLY . 13.4 mt-10 -63.21 -43.1 99.08 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.062 -0.972 . . . . 48.47 111.703 178.371 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.5 m -63.99 -44.83 91.49 Favored 'General case' 0 C--O 1.253 1.269 0 N-CA-C 108.84 -0.8 . . . . 34.52 108.84 178.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 46.4 mt -59.25 -31.77 69.37 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.548 -0.751 . . . . 31.12 110.741 179.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.6 p -70.1 -28.42 65.39 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 117.839 -1.545 . . . . 35.32 110.619 -178.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -73.85 -48.79 28.64 Favored 'General case' 0 CA--C 1.5 -0.971 0 C-N-CA 119.391 -0.924 . . . . 49.89 108.958 178.533 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -59.02 -24.01 62.44 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 115.237 1.569 . . . . 42.47 115.237 -178.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -116.36 12.7 15.36 Favored 'General case' 0 CA--C 1.505 -0.769 0 C-N-CA 119.027 -1.069 . . . . 36.8 110.964 179.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -46.08 131.85 9.8 Favored 'General case' 0 C--O 1.226 -0.183 0 N-CA-C 106.527 -1.657 . . . . 31.11 106.527 178.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.88 -21.95 20.62 Favored Glycine 0 C--O 1.217 -0.947 0 N-CA-C 116.52 1.368 . . . . 31.53 116.52 -179.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -103.88 -33.44 8.86 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 118.166 0.983 . . . . 51.82 111.471 179.089 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' VAL . . . . . 0.478 HG22 ' HG2' ' A' ' 26' ' ' PRO . 77.1 t -137.13 146.12 28.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 106.312 -1.736 . . . . 24.78 106.312 -177.638 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 50.7 mt -98.34 137.9 24.53 Favored 'Isoleucine or valine' 0 C--O 1.254 1.29 0 N-CA-C 106.121 -1.807 . . . . 20.08 106.121 178.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -117.93 128.2 54.58 Favored 'General case' 0 CA--C 1.501 -0.907 0 CA-C-O 119.497 -0.287 . . . . 23.72 111.374 -178.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.3 mt -123.78 152.76 41.85 Favored 'General case' 0 C--O 1.259 1.605 0 O-C-N 123.766 0.666 . . . . 19.16 109.997 179.447 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LYS . . . . . 0.42 ' NZ ' HG21 ' A' ' 32' ' ' THR . 22.3 tttp -127.27 132.29 50.38 Favored 'General case' 0 C--O 1.254 1.291 0 CA-C-O 122.335 1.064 . . . . 37.3 108.624 178.658 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 87.5 t -125.15 118.25 52.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 114.908 -1.042 . . . . 18.29 110.464 -179.63 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -88.97 110.87 21.49 Favored 'General case' 0 C--O 1.258 1.514 0 N-CA-C 101.202 -3.629 . . . . 37.19 101.202 177.724 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.9 m -58.86 -31.89 45.97 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.749 0 N-CA-C 116.346 1.98 . . . . 23.52 116.346 -175.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ASP . . . . . 0.956 ' OD2' ' OD2' ' B' ' 65' ' ' ASP . 75.2 m-20 -72.1 -45.04 62.19 Favored 'General case' 0 N--CA 1.44 -0.967 0 C-N-CA 118.187 -1.405 . . . . 39.74 107.352 179.773 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.43 -28.77 70.03 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 115.786 1.773 . . . . 30.51 115.786 179.187 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.8 t -132.75 64.27 0.3 Allowed 'Isoleucine or valine' 0 C--O 1.263 1.77 0 CA-C-O 121.296 0.57 . . . . 29.5 112.161 -179.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -49.14 -44.25 42.42 Favored 'General case' 0 C--O 1.25 1.12 0 N-CA-C 115.935 1.828 . . . . 26.08 115.935 -177.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.6 -42.43 71.1 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 120.452 -0.499 . . . . 27.84 111.478 -178.297 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 46.9 t -69.71 -47.53 70.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.867 0.841 . . . . 26.99 110.469 -178.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.85 -45.47 82.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.098 -0.956 . . . . 25.53 108.92 -179.076 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -63.5 -52.34 61.66 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 115.376 -0.829 . . . . 38.01 112.245 -178.292 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.07 -34.28 73.23 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 119.405 -0.918 . . . . 23.68 110.575 -179.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.61 -7.21 49.13 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.897 -0.502 . . . . 22.17 111.704 -179.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.42 32.65 83.73 Favored Glycine 0 CA--C 1.54 1.606 0 N-CA-C 118.633 2.213 . . . . 27.81 118.633 -178.264 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ILE . . . . . 0.539 HD11 ' CE ' ' A' ' 79' ' ' MET . 0.0 OUTLIER -78.31 142.73 13.72 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.485 0 O-C-N 119.806 -1.997 . . . . 31.88 115.726 -179.881 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.8 p -130.83 -29.33 1.91 Allowed 'General case' 0 CA--C 1.55 0.975 0 O-C-N 121.118 -0.988 . . . . 22.37 112.635 -179.514 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -122.28 154.76 37.15 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-O 122.029 0.919 . . . . 20.7 108.954 177.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' MET . . . . . 0.692 ' HG3' ' HA ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -130.34 144.84 54.88 Favored Pre-proline 0 N--CA 1.43 -1.465 0 CA-C-N 115.905 -0.589 . . . . 35.31 111.514 -177.172 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 80' ' ' PRO . . . . . 0.692 ' HA ' ' HG3' ' A' ' 79' ' ' MET . 27.7 Cg_endo -81.51 162.11 79.74 Favored 'Cis proline' 0 CA--C 1.5 -1.204 0 C-N-CA 123.019 -1.659 . . . . 23.62 112.315 0.045 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 16.4 m -130.09 136.41 49.31 Favored 'General case' 0 CA--C 1.497 -1.065 0 N-CA-C 106.559 -1.645 . . . . 17.68 106.559 176.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -119.86 137.15 54.18 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 108.242 -1.021 . . . . 17.05 108.242 177.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -121.71 152.62 39.2 Favored 'General case' 0 C--O 1.258 1.518 0 N-CA-C 107.887 -1.153 . . . . 18.21 107.887 177.487 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 73.9 t -117.02 129.31 73.78 Favored 'Isoleucine or valine' 0 C--O 1.242 0.691 0 N-CA-C 104.743 -2.318 . . . . 20.94 104.743 172.915 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -115.88 138.26 51.33 Favored 'General case' 0 C--O 1.254 1.342 0 O-C-N 121.761 -0.587 . . . . 18.48 109.628 176.528 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -137.87 131.59 31.25 Favored 'General case' 0 C--O 1.251 1.162 0 N-CA-C 106.006 -1.85 . . . . 38.47 106.006 177.437 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 53.75 38.99 29.71 Favored 'General case' 0 CA--C 1.506 -0.739 0 N-CA-C 113.694 0.998 . . . . 30.43 113.694 179.532 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 84.83 -3.08 87.66 Favored Glycine 0 C--O 1.224 -0.481 0 N-CA-C 117.878 1.911 . . . . 20.49 117.878 177.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 27.7 m -130.63 159.59 42.53 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 CA-C-N 118.7 1.25 . . . . 19.55 113.588 -177.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.0 tttt -70.91 130.85 42.68 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 119.779 -0.768 . . . . 30.26 110.185 -179.315 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -121.23 -9.16 9.15 Favored 'General case' 0 CA--C 1.505 -0.764 0 N-CA-C 113.507 0.929 . . . . 20.0 113.507 -179.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -172.87 161.84 4.66 Favored 'General case' 0 C--O 1.276 2.481 0 N-CA-C 108.161 -1.052 . . . . 25.7 108.161 179.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.6 p30 -153.58 173.24 16.02 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 113.653 0.983 . . . . 24.09 113.653 177.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 49.7 tp -157.2 132.24 8.91 Favored 'General case' 0 C--O 1.249 1.074 0 N-CA-C 104.81 -2.293 . . . . 19.72 104.81 179.374 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 80.3 t -121.94 125.05 72.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 N-CA-C 108.775 -0.824 . . . . 23.32 108.775 -179.001 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 121.26 169.33 13.7 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 121.285 -0.483 . . . . 27.02 111.91 179.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.4 43.08 1.08 Allowed 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 115.644 1.72 . . . . 32.0 115.644 -178.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.6 t -79.26 114.36 18.13 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.874 -0.417 . . . . 35.41 109.874 178.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -64.07 -45.58 88.15 Favored 'General case' 0 CA--C 1.505 -0.787 0 C-N-CA 118.964 -1.094 . . . . 43.65 113.475 179.421 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -60.77 -36.48 79.06 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 114.422 1.268 . . . . 49.13 114.422 179.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -72.46 -39.03 68.07 Favored 'General case' 0 N--CA 1.429 -1.52 0 C-N-CA 118.417 -1.313 . . . . 35.27 111.681 179.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 36.6 tp -59.32 -44.51 92.58 Favored 'General case' 0 CA--C 1.56 1.327 0 CA-C-O 121.993 0.902 . . . . 27.08 109.472 179.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -58.86 -45.29 90.47 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-O 121.652 0.739 . . . . 45.0 112.108 178.577 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.44 -40.67 97.34 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 114.72 -1.127 . . . . 29.74 110.7 -178.003 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.5 tp -64.22 -50.48 67.87 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 115.393 -0.821 . . . . 30.54 111.366 178.348 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 57.7 t -62.36 -52.58 58.38 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.718 0 N-CA-C 109.2 -0.667 . . . . 28.22 109.2 179.784 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -52.9 -46.87 68.19 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.983 0.42 . . . . 28.4 110.158 179.032 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' LYS . . . . . 0.405 ' HE3' ' NE2' ' A' ' 109' ' ' HIS . 11.6 ttpp -55.11 -49.12 72.55 Favored 'General case' 0 N--CA 1.437 -1.115 0 C-N-CA 118.921 -1.111 . . . . 44.11 112.852 -179.384 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HIS . . . . . 0.405 ' NE2' ' HE3' ' A' ' 108' ' ' LYS . 96.8 m-70 -81.54 -20.09 40.73 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 115.638 1.718 . . . . 36.8 115.638 -176.795 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ALA . . . . . 0.441 ' C ' ' H ' ' A' ' 112' ' ' ALA . . . -73.74 -43.26 59.61 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 107.633 -1.247 . . . . 50.88 107.633 179.419 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 111' ' ' ALA . . . . . 0.499 ' O ' ' HB3' ' A' ' 112' ' ' ALA . . . -70.53 39.99 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.165 -0.47 . . . . 62.07 110.563 -179.579 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 111' ' ' ALA . . . . . . . . 0 C--O 1.251 1.161 0 CA-C-O 117.894 -1.05 . . . . 68.81 110.03 -179.699 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.93 0 CA-C-O 118.433 -1.204 . . . . 23.76 110.621 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 57.65 -144.2 41.21 Favored Glycine 0 C--N 1.353 1.482 0 N-CA-C 106.971 -2.451 . . . . 22.9 106.971 -179.096 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 11.9 m -101.52 17.11 23.62 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 121.882 -0.775 . . . . 27.78 112.4 178.91 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 96.4 t -65.69 131.94 31.4 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 C-N-CA 119.888 -0.725 . . . . 21.25 112.06 -178.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 53.8 mt -95.6 129.19 46.05 Favored 'Isoleucine or valine' 0 C--O 1.255 1.358 0 N-CA-C 107.316 -1.364 . . . . 21.77 107.316 177.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -97.02 129.38 47.15 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.58 0 C-N-CA 115.592 -2.443 . . . . 25.26 109.603 179.365 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ILE . . . . . 0.716 HD11 ' HG ' ' B' ' 60' ' ' LEU . 1.1 mp -86.76 127.77 40.15 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.198 0 CA-C-N 114.927 -1.033 . . . . 27.14 108.834 -178.009 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 52.2 p30 -118.13 1.51 11.95 Favored 'General case' 0 C--O 1.256 1.41 0 N-CA-C 114.506 1.298 . . . . 39.21 114.506 179.11 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 82.7 p -157.13 160.28 38.66 Favored 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 109.641 -0.503 . . . . 23.37 109.641 179.36 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 43.0 tptt -64.05 -32.44 73.99 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-O 122.034 0.921 . . . . 35.8 109.815 178.235 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.59 -37.45 84.94 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 115.738 -0.665 . . . . 21.32 110.608 179.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.37 -38.67 71.55 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 106.802 -1.555 . . . . 19.8 106.802 -179.45 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' TRP . . . . . . . . . . . . . 28.6 t-105 -59.12 -47.2 86.14 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.036 -0.984 . . . . 22.07 110.991 179.815 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -64.51 -38.66 91.79 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 110.035 -0.357 . . . . 29.89 110.035 -178.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.2 -41.39 97.08 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 119.38 -0.343 . . . . 22.02 111.75 -179.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -68.63 -40.49 80.29 Favored 'General case' 0 C--O 1.25 1.088 0 N-CA-C 112.587 0.588 . . . . 25.03 112.587 179.811 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.13 -41.47 97.2 Favored 'General case' 0 C--N 1.348 0.52 0 C-N-CA 120.58 -0.448 . . . . 23.79 109.832 179.196 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.41 -43.87 98.12 Favored 'General case' 0 C--O 1.243 0.76 0 C-N-CA 121.393 -0.123 . . . . 25.01 111.072 177.206 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' LYS . . . . . 0.585 ' O ' ' HB2' ' B' ' 23' ' ' GLU . 22.1 ttpt -58.42 -48.76 79.64 Favored 'General case' 0 C--O 1.222 -0.343 0 N-CA-C 108.594 -0.891 . . . . 36.02 108.594 179.967 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' B' ' 24' ' ' HIS . . . -54.91 -38.34 64.77 Favored Glycine 0 C--N 1.31 -0.881 0 N-CA-C 110.14 -1.184 . . . . 30.75 110.14 179.39 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 21' ' ' LYS . . . . . 0.418 ' HG3' ' OD2' ' B' ' 87' ' ' ASP . 71.4 tttt -72.2 -45.08 61.79 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 118.055 -1.458 . . . . 42.35 110.165 -179.855 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.79 -49.36 73.38 Favored 'General case' 0 CA--C 1.487 -1.463 0 CA-C-N 115.405 -0.816 . . . . 61.43 109.753 178.434 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLU . . . . . 0.585 ' HB2' ' O ' ' B' ' 19' ' ' LYS . 4.9 mt-10 -85.22 -8.21 58.67 Favored 'General case' 0 C--N 1.301 -1.536 1 O-C-N 130.126 4.641 . . . . 55.83 113.665 -175.601 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 24' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' B' ' 20' ' ' GLY . 75.1 m80 44.39 52.61 7.28 Favored 'General case' 0 C--N 1.269 -2.901 0 O-C-N 120.662 -1.274 . . . . 52.16 113.394 177.838 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 21.2 mttt -117.91 131.94 23.91 Favored Pre-proline 0 N--CA 1.492 1.655 0 N-CA-C 106.164 -1.791 . . . . 50.18 106.164 174.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -64.32 154.97 68.34 Favored 'Trans proline' 0 C--O 1.274 2.298 0 CA-C-N 124.691 2.711 . . . . 32.12 109.656 -179.742 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 88.0 mt -118.46 127.62 75.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.688 -0.856 . . . . 25.43 108.688 178.113 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' VAL . . . . . 0.429 HG11 ' CE2' ' B' ' 59' ' ' PHE . 6.6 p -109.17 128.76 64.84 Favored 'Isoleucine or valine' 0 C--O 1.247 0.939 0 C-N-CA 118.152 -1.419 . . . . 29.45 108.63 174.713 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 29' ' ' VAL . . . . . 0.545 ' O ' ' HA ' ' B' ' 82' ' ' PHE . 11.6 t -116.79 132.07 67.59 Favored 'Isoleucine or valine' 0 C--O 1.251 1.162 0 CA-C-N 114.534 -1.212 . . . . 20.68 113.294 -177.685 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.73 120.76 42.5 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 113.835 -1.53 . . . . 18.15 107.298 176.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -100.86 114.86 29.09 Favored 'General case' 0 C--O 1.255 1.346 0 N-CA-C 106.62 -1.622 . . . . 24.53 106.62 176.461 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' THR . . . . . 0.553 ' C ' ' CE ' ' B' ' 79' ' ' MET . 20.8 p -128.71 -179.37 5.03 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 123.862 0.727 . . . . 27.93 112.342 179.815 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -155.49 151.69 28.01 Favored 'General case' 0 CA--C 1.493 -1.213 0 N-CA-C 104.232 -2.506 . . . . 22.05 104.232 179.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 21.8 m -57.09 -41.88 79.67 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.346 -0.843 . . . . 36.55 110.766 179.463 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 35.9 p-90 -77.76 -1.25 30.41 Favored 'General case' 0 CA--C 1.493 -1.233 0 N-CA-C 115.309 1.596 . . . . 26.0 115.309 -175.553 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 50.8 t -85.14 110.85 19.29 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 113.537 0.94 . . . . 27.77 113.537 -177.961 179.644 -145.377 77.263 97.567 2.019 102.635 83.561 -65.316 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.19 -65.88 2.78 Favored Glycine 0 C--N 1.338 0.642 0 CA-C-N 115.008 -0.996 . . . . 30.71 111.828 -179.274 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -49.73 -33.24 31.49 Favored 'Trans proline' 0 CA--C 1.515 -0.44 0 C-N-CA 122.253 1.969 . . . . 31.37 111.006 -179.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' B' ' 80' ' ' PRO . 97.4 m -55.66 -45.48 77.68 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 119.022 -1.071 . . . . 30.36 110.576 179.158 -65.316 83.561 77.263 102.635 2.019 97.567 -145.377 179.644 2 2 . 1 . 001 ecloud build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -66.22 -27.95 68.37 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 119.173 -1.011 . . . . 53.24 113.309 -179.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -30.86 65.48 Favored 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 113.125 0.787 . . . . 62.13 113.125 -178.013 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 5.6 tp -96.86 -10.19 8.91 Favored 'Isoleucine or valine' 0 C--N 1.384 2.077 0 C-N-CA 119.372 -0.931 . . . . 31.62 109.852 -177.673 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.7 -46.57 98.27 Favored Pre-proline 0 C--N 1.345 0.399 0 N-CA-C 117.437 2.384 . . . . 28.55 117.437 -178.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -57.53 -43.2 53.2 Favored 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 121.232 1.288 . . . . 28.93 110.394 179.826 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -46.46 89.41 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.572 -0.74 . . . . 28.63 109.406 -179.334 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -61.37 -44.46 97.12 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 106.975 -1.491 . . . . 24.21 106.975 -179.42 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -61.27 -37.09 81.88 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 114.165 1.172 . . . . 35.79 114.165 178.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 15.7 m -66.18 -45.87 79.33 Favored 'General case' 0 C--O 1.251 1.172 0 CA-C-O 122.61 1.195 . . . . 28.77 110.479 178.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 48.0 mt -61.74 -32.02 72.23 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 114.371 -1.286 . . . . 25.16 110.468 177.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 84.3 p -67.47 -27.21 66.83 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-N 118.95 0.795 . . . . 23.9 110.315 -179.026 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -77.91 -54.15 6.64 Favored 'General case' 0 C--O 1.212 -0.891 0 N-CA-C 108.753 -0.832 . . . . 31.6 108.753 177.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -55.3 -30.66 60.61 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.171 0.804 . . . . 39.4 113.171 -178.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -109.46 15.78 22.74 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 113.241 0.83 . . . . 36.85 113.241 -178.235 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.54 127.28 27.1 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 109.166 -0.679 . . . . 33.48 109.166 -179.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.37 -13.78 66.8 Favored Glycine 0 C--N 1.34 0.771 0 N-CA-C 116.94 1.536 . . . . 38.93 116.94 179.52 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 64.6 mttt -109.08 -37.46 5.8 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 121.916 0.865 . . . . 56.48 110.103 178.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 94.8 t -132.77 133.49 59.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-N 113.525 -1.67 . . . . 30.89 111.12 -177.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 36.2 mt -90.68 125.97 43.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 N-CA-C 107.18 -1.415 . . . . 32.91 107.18 178.268 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' PHE . . . . . 0.429 ' CE2' HG11 ' B' ' 28' ' ' VAL . 21.4 m-85 -107.95 131.02 54.98 Favored 'General case' 0 C--O 1.246 0.909 0 CA-C-O 121.511 0.672 . . . . 24.26 109.517 -179.742 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 60' ' ' LEU . . . . . 0.716 ' HG ' HD11 ' B' ' 7' ' ' ILE . 1.5 mp -125.57 147.29 49.33 Favored 'General case' 0 C--O 1.244 0.813 0 CA-C-N 114.714 -1.13 . . . . 19.58 111.498 -178.222 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -124.74 134.06 52.95 Favored 'General case' 0 CA--C 1.556 1.2 0 N-CA-C 107.849 -1.167 . . . . 38.11 107.849 176.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 93.5 t -129.73 114.46 30.58 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.886 0 CA-C-O 121.485 0.66 . . . . 20.06 110.505 -179.003 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' ASP . . . . . 0.87 ' OD2' ' HB2' ' B' ' 65' ' ' ASP . 9.6 t70 -80.67 113.89 19.18 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 104.318 -2.475 . . . . 43.38 104.318 176.566 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 14.3 m -56.55 -27.56 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 CA-C-O 121.7 0.762 . . . . 27.79 113.037 -178.277 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' ASP . . . . . 0.956 ' OD2' ' OD2' ' A' ' 65' ' ' ASP . 87.7 m-20 -64.81 -50.21 67.62 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 126.726 2.01 . . . . 53.02 112.95 178.825 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.18 -26.97 39.03 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 114.484 1.29 . . . . 32.77 114.484 -178.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 3.5 t -129.73 63.01 0.3 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.263 0 N-CA-C 113.744 1.016 . . . . 28.96 113.744 -179.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -47.29 -44.25 23.09 Favored 'General case' 0 CA--C 1.495 -1.144 0 N-CA-C 115.445 1.646 . . . . 27.37 115.445 -178.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.34 -44.31 75.78 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 119.847 -0.741 . . . . 27.76 112.05 -178.301 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 50.6 t -70.17 -38.83 75.92 Favored 'Isoleucine or valine' 0 C--O 1.242 0.7 0 C-N-CA 119.888 -0.725 . . . . 26.17 112.231 -178.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.57 -40.7 95.68 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-O 121.527 0.679 . . . . 23.99 110.02 179.513 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -65.26 -54.67 25.78 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 114.987 -1.006 . . . . 49.88 109.398 -178.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.12 -35.24 59.47 Favored 'General case' 0 C--O 1.226 -0.182 0 N-CA-C 112.652 0.612 . . . . 28.9 112.652 178.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.98 -10.39 59.57 Favored 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 116.68 2.104 . . . . 26.8 116.68 -178.44 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.19 33.6 59.03 Favored Glycine 0 CA--C 1.524 0.613 0 C-N-CA 119.316 -1.421 . . . . 26.41 114.822 178.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 10.6 mm -74.11 133.76 30.95 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.441 0 CA-C-O 121.214 0.53 . . . . 29.29 110.819 -178.159 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -132.6 -23.94 2.03 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 114.122 1.156 . . . . 35.11 114.122 -177.52 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -141.45 149.94 41.63 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.646 -0.706 . . . . 25.75 110.893 -177.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' MET . . . . . 0.553 ' CE ' ' C ' ' B' ' 32' ' ' THR . 3.5 mmt -116.04 138.79 24.37 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 124.048 0.939 . . . . 37.17 111.439 -178.519 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 80' ' ' PRO . . . . . 0.401 ' HB3' ' SG ' ' B' ' 39' ' ' CYS . 91.6 Cg_endo -91.37 163.67 28.88 Favored 'Cis proline' 0 N--CA 1.461 -0.386 0 C-N-CA 121.086 -2.464 . . . . 23.21 107.722 -0.697 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 3.0 m -130.11 141.8 50.66 Favored 'General case' 0 C--O 1.247 0.932 0 N-CA-C 105.833 -1.914 . . . . 21.36 105.833 178.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' PHE . . . . . 0.545 ' HA ' ' O ' ' B' ' 29' ' ' VAL . 61.7 m-85 -122.4 132.22 54.26 Favored 'General case' 0 C--O 1.256 1.415 0 N-CA-C 107.102 -1.444 . . . . 22.14 107.102 175.273 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -112.54 155.05 24.98 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 108.381 -0.97 . . . . 23.32 108.381 174.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 11.7 t -122.26 125.39 72.82 Favored 'Isoleucine or valine' 0 C--O 1.249 1.047 0 N-CA-C 101.593 -3.484 . . . . 24.29 101.593 175.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -114.76 132.58 56.4 Favored 'General case' 0 C--O 1.244 0.804 0 N-CA-C 106.719 -1.586 . . . . 28.69 106.719 178.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 5.3 mtpp -133.99 124.61 26.59 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 104.052 -2.574 . . . . 52.59 104.052 178.021 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 87' ' ' ASP . . . . . 0.418 ' OD2' ' HG3' ' B' ' 21' ' ' LYS . 0.9 OUTLIER 62.25 34.54 15.92 Favored 'General case' 0 CA--C 1.505 -0.782 0 N-CA-C 114.747 1.388 . . . . 53.23 114.747 179.606 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 73.23 7.16 71.27 Favored Glycine 0 C--O 1.213 -1.197 0 N-CA-C 115.145 0.818 . . . . 32.82 115.145 176.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -127.86 146.02 34.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 C-N-CA 119.171 -1.012 . . . . 34.08 109.827 -178.564 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -64.99 121.19 14.09 Favored 'General case' 0 CA--C 1.554 1.096 0 C-N-CA 118.731 -1.188 . . . . 34.21 110.581 179.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -104.37 -19.57 14.02 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 115.236 1.569 . . . . 31.62 115.236 -178.214 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -168.59 160.25 10.7 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 106.552 -1.647 . . . . 33.09 106.552 -179.264 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 35.9 p30 -150.86 168.44 24.47 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 108.972 -0.751 . . . . 28.84 108.972 177.049 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 11.9 tp -151.98 129.09 11.11 Favored 'General case' 0 C--O 1.213 -0.84 0 N-CA-C 104.326 -2.472 . . . . 27.08 104.326 -178.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 52.6 t -117.09 134.55 60.3 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 N-CA-C 108.334 -0.988 . . . . 25.08 108.334 178.633 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 115.45 164.94 14.44 Favored Glycine 0 C--O 1.22 -0.776 0 C-N-CA 118.76 -1.686 . . . . 22.36 109.565 179.644 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -103.05 38.66 1.71 Allowed 'General case' 0 C--O 1.25 1.111 0 N-CA-C 115.884 1.809 . . . . 32.26 115.884 -176.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 10.6 t -76.06 114.67 14.98 Favored 'General case' 0 N--CA 1.437 -1.093 0 CA-C-N 115.727 -0.669 . . . . 32.37 110.919 178.432 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -63.76 -41.94 97.89 Favored 'General case' 0 C--O 1.25 1.088 0 N-CA-C 114.871 1.434 . . . . 50.51 114.871 178.792 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -64.58 -41.91 95.96 Favored 'General case' 0 CA--C 1.496 -1.125 0 C-N-CA 120.492 -0.483 . . . . 44.74 111.355 -178.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -66.86 -34.39 77.7 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 119.13 -1.028 . . . . 46.59 112.497 179.343 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 16.6 tp -66.19 -46.37 77.56 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 107.548 -1.279 . . . . 23.6 107.548 -179.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 16.0 mtmt -54.24 -46.92 72.69 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.596 -0.729 . . . . 42.64 111.66 178.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.69 -44.66 95.66 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.379 -0.828 . . . . 26.97 110.717 -179.477 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 42.0 tp -52.64 -54.89 27.03 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-O 122.111 0.958 . . . . 25.96 110.246 -179.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 75.9 t -61.54 -40.11 85.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 114.713 -1.131 . . . . 29.8 112.989 -177.118 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -66.04 -48.67 70.32 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 120.239 -0.584 . . . . 35.76 111.071 179.801 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -53.57 -42.46 67.59 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 118.291 -1.364 . . . . 50.97 113.09 -179.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 109' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -84.2 -19.59 33.76 Favored 'General case' 0 N--CA 1.436 -1.125 0 N-CA-C 115.691 1.738 . . . . 36.27 115.691 -178.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.68 -30.17 68.78 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.445 -0.576 . . . . 49.41 109.445 -179.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -101.86 46.96 0.91 Allowed 'General case' 0 C--O 1.24 0.563 0 N-CA-C 108.024 -1.102 . . . . 63.07 108.024 178.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.234 0 N-CA-C 115.923 1.823 . . . . 73.22 115.923 179.831 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 244' ' ' HOH . . . . . 0.448 ' O ' ' NZ ' ' A' ' 21' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 209' ' ' HOH . . . . . 0.431 ' O ' ' NZ ' ' B' ' 19' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.579 ' HA3' ' CD ' ' A' ' 47' ' ' GLU . . . . . . . . 0 CA--C 1.55 2.236 0 CA-C-O 121.241 0.356 . . . . 64.4 112.25 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 3' ' ' SER . . . -125.86 -11.63 3.91 Favored Glycine 0 N--CA 1.482 1.754 0 O-C-N 121.957 -0.731 . . . . 61.41 111.574 -178.836 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 2' ' ' GLY . 20.7 p 140.95 44.01 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.374 0 C-N-CA 126.796 2.038 . . . . 52.69 106.932 179.816 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 39.5 t -100.15 131.74 47.06 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.626 0 N-CA-C 107.36 -1.348 . . . . 37.81 107.36 -179.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 72.7 mt -93.45 122.98 45.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 O-C-N 123.804 0.69 . . . . 27.96 110.935 -179.479 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.9 t -88.12 124.84 41.46 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.347 0 N-CA-C 108.271 -1.011 . . . . 27.39 108.271 -178.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.9 mm -91.96 124.88 44.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 N-CA-C 105.893 -1.892 . . . . 24.79 105.893 -176.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -114.22 -1.44 13.63 Favored 'General case' 0 C--O 1.214 -0.785 0 N-CA-C 113.725 1.009 . . . . 41.34 113.725 -178.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.0 p -163.03 164.46 25.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.607 0.718 . . . . 26.63 111.88 -179.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.9 tptm -63.18 -35.07 79.08 Favored 'General case' 0 CA--C 1.561 1.368 0 CA-C-O 122.068 0.937 . . . . 40.16 109.486 177.292 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.71 -44.46 93.53 Favored 'General case' 0 C--O 1.209 -1.043 0 N-CA-C 109.086 -0.709 . . . . 23.39 109.086 -178.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.05 -40.58 87.16 Favored 'General case' 0 CA--C 1.56 1.339 0 N-CA-C 107.167 -1.419 . . . . 20.09 107.167 179.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 66.7 t-105 -54.57 -52.81 60.95 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 109.063 -0.717 . . . . 22.66 109.063 178.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -62.63 -38.86 91.89 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.371 0.669 . . . . 25.52 111.639 179.811 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.37 -39.85 89.36 Favored 'General case' 0 CA--C 1.509 -0.619 0 C-N-CA 119.279 -0.969 . . . . 16.56 110.136 179.293 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -73.08 -30.65 63.84 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 118.697 -1.201 . . . . 19.47 111.796 -177.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.3 mt -70.28 -36.19 74.21 Favored 'General case' 0 CA--C 1.522 -0.134 0 C-N-CA 118.62 -1.232 . . . . 23.39 108.355 177.151 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.45 -37.71 83.38 Favored 'General case' 0 C--O 1.258 1.51 0 C-N-CA 119.559 -0.857 . . . . 20.55 110.222 179.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -58.05 -47.68 82.39 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 107.779 -1.193 . . . . 24.22 107.779 178.965 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.26 -40.3 84.26 Favored Glycine 0 CA--C 1.534 1.227 0 N-CA-C 110.691 -0.964 . . . . 20.45 110.691 178.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.448 ' NZ ' ' O ' ' A' ' 244' ' ' HOH . 24.0 tttm -70.0 -39.5 75.83 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-N 118.384 1.092 . . . . 36.98 110.778 178.953 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -70.68 -41.01 72.58 Favored 'General case' 0 C--N 1.344 0.362 0 N-CA-C 112.845 0.683 . . . . 37.19 112.845 -178.371 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -85.34 -7.8 58.79 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 112.912 0.708 . . . . 25.23 112.912 -179.971 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 55.1 54.71 8.5 Favored 'General case' 0 C--O 1.206 -1.188 0 CA-C-O 121.508 0.671 . . . . 22.75 109.249 -179.064 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -132.0 141.03 40.0 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 103.381 -2.822 . . . . 30.02 103.381 177.727 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.478 ' HG2' HG22 ' A' ' 57' ' ' VAL . 86.0 Cg_endo -71.95 157.82 53.91 Favored 'Trans proline' 0 CA--C 1.56 1.805 0 N-CA-C 108.589 -1.35 . . . . 20.52 108.589 178.875 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.9 mt -118.22 138.35 49.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.243 -1.021 . . . . 20.98 108.243 177.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 72.0 t -119.82 125.36 74.23 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.883 0 N-CA-C 102.719 -3.067 . . . . 18.86 102.719 177.413 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.3 t -115.3 138.22 46.35 Favored 'Isoleucine or valine' 0 C--O 1.242 0.674 0 CA-C-N 115.021 -0.991 . . . . 17.33 109.311 -177.244 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.77 120.62 43.04 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 106.396 -1.705 . . . . 17.92 106.396 175.127 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -99.76 118.64 36.68 Favored 'General case' 0 C--O 1.243 0.753 0 N-CA-C 102.099 -3.297 . . . . 19.95 102.099 176.425 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' THR . . . . . 0.42 HG21 ' NZ ' ' A' ' 61' ' ' LYS . 10.3 t -132.6 174.13 10.6 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 114.611 -1.177 . . . . 29.85 112.74 -176.522 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -150.1 142.87 24.69 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.234 -1.024 . . . . 22.18 108.234 176.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' THR . . . . . 0.484 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . 27.7 p -57.58 -30.51 65.34 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 121.213 0.53 . . . . 30.95 111.327 178.811 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 29.8 p-90 -85.76 -1.7 57.47 Favored 'General case' 0 C--O 1.242 0.692 0 C-N-CA 118.726 -1.19 . . . . 28.47 113.416 -179.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 44.6 t -86.14 108.71 18.44 Favored 'General case' 0 C--O 1.253 1.283 0 N-CA-C 117.347 2.351 . . . . 28.2 117.347 -178.377 176.439 -139.955 79.36 95.317 2.005 112.668 76.034 -53.0 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.6 -59.17 10.62 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 117.39 1.716 . . . . 29.48 117.39 -178.603 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -65.28 -24.83 57.63 Favored 'Trans proline' 0 C--O 1.215 -0.669 0 CA-C-N 117.656 0.728 . . . . 32.06 112.018 179.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.8 m -63.35 -45.37 91.52 Favored 'General case' 0 CA--C 1.554 1.131 0 N-CA-C 108.246 -1.02 . . . . 34.26 108.246 178.237 -53.0 76.034 79.36 112.668 2.005 95.317 -139.955 176.439 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.484 ' NZ ' ' O ' ' A' ' 34' ' ' THR . 13.3 mttp -60.08 -40.73 90.58 Favored 'General case' 0 C--O 1.211 -0.93 0 C-N-CA 119.774 -0.771 . . . . 54.04 110.008 179.359 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -58.94 -42.0 88.76 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.828 1.047 . . . . 57.07 113.828 179.223 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -88.15 -18.98 7.91 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 N-CA-C 114.298 1.222 . . . . 32.06 114.298 -176.526 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.9 -37.83 37.73 Favored Pre-proline 0 CA--C 1.543 0.677 0 N-CA-C 114.965 1.468 . . . . 30.45 114.965 -178.11 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_exo -64.54 -38.92 30.27 Favored 'Trans proline' 0 C--O 1.245 0.835 0 C-N-CA 114.332 -3.312 . . . . 34.09 113.624 -179.947 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.6 tp -62.2 -45.71 92.14 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 116.111 -0.495 . . . . 32.05 110.144 -179.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -56.97 -42.83 80.88 Favored 'General case' 0 C--O 1.252 1.231 0 CA-C-O 121.616 0.722 . . . . 28.52 110.054 -178.477 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.579 ' CD ' ' HA3' ' A' ' 1' ' ' GLY . 13.4 mt-10 -63.21 -43.1 99.08 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.062 -0.972 . . . . 48.47 111.703 178.371 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.5 m -63.99 -44.83 91.49 Favored 'General case' 0 C--O 1.253 1.269 0 N-CA-C 108.84 -0.8 . . . . 34.52 108.84 178.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 46.4 mt -59.25 -31.77 69.37 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.548 -0.751 . . . . 31.12 110.741 179.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.6 p -70.1 -28.42 65.39 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 117.839 -1.545 . . . . 35.32 110.619 -178.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.498 ' ND2' ' HA3' ' A' ' 2' ' ' GLY . 18.8 m-80 -73.85 -48.79 28.64 Favored 'General case' 0 CA--C 1.5 -0.971 0 C-N-CA 119.391 -0.924 . . . . 49.89 108.958 178.533 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -59.02 -24.01 62.44 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 115.237 1.569 . . . . 42.47 115.237 -178.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -116.36 12.7 15.36 Favored 'General case' 0 CA--C 1.505 -0.769 0 C-N-CA 119.027 -1.069 . . . . 36.8 110.964 179.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -46.08 131.85 9.8 Favored 'General case' 0 C--O 1.226 -0.183 0 N-CA-C 106.527 -1.657 . . . . 31.11 106.527 178.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.88 -21.95 20.62 Favored Glycine 0 C--O 1.217 -0.947 0 N-CA-C 116.52 1.368 . . . . 31.53 116.52 -179.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -103.88 -33.44 8.86 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 118.166 0.983 . . . . 51.82 111.471 179.089 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.478 HG22 ' HG2' ' A' ' 26' ' ' PRO . 77.1 t -137.13 146.12 28.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 106.312 -1.736 . . . . 24.78 106.312 -177.638 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 50.7 mt -98.34 137.9 24.53 Favored 'Isoleucine or valine' 0 C--O 1.254 1.29 0 N-CA-C 106.121 -1.807 . . . . 20.08 106.121 178.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -117.93 128.2 54.58 Favored 'General case' 0 CA--C 1.501 -0.907 0 CA-C-O 119.497 -0.287 . . . . 23.72 111.374 -178.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.3 mt -123.78 152.76 41.85 Favored 'General case' 0 C--O 1.259 1.605 0 O-C-N 123.766 0.666 . . . . 19.16 109.997 179.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.42 ' NZ ' HG21 ' A' ' 32' ' ' THR . 22.3 tttp -127.27 132.29 50.38 Favored 'General case' 0 C--O 1.254 1.291 0 CA-C-O 122.335 1.064 . . . . 37.3 108.624 178.658 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 87.5 t -125.15 118.25 52.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 114.908 -1.042 . . . . 18.29 110.464 -179.63 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -88.97 110.87 21.49 Favored 'General case' 0 C--O 1.258 1.514 0 N-CA-C 101.202 -3.629 . . . . 37.19 101.202 177.724 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.9 m -58.86 -31.89 45.97 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.749 0 N-CA-C 116.346 1.98 . . . . 23.52 116.346 -175.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.956 ' OD2' ' OD2' ' B' ' 65' ' ' ASP . 75.2 m-20 -72.1 -45.04 62.19 Favored 'General case' 0 N--CA 1.44 -0.967 0 C-N-CA 118.187 -1.405 . . . . 39.74 107.352 179.773 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.43 -28.77 70.03 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 115.786 1.773 . . . . 30.51 115.786 179.187 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.8 t -132.75 64.27 0.3 Allowed 'Isoleucine or valine' 0 C--O 1.263 1.77 0 CA-C-O 121.296 0.57 . . . . 29.5 112.161 -179.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -49.14 -44.25 42.42 Favored 'General case' 0 C--O 1.25 1.12 0 N-CA-C 115.935 1.828 . . . . 26.08 115.935 -177.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.6 -42.43 71.1 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 120.452 -0.499 . . . . 27.84 111.478 -178.297 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 46.9 t -69.71 -47.53 70.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.867 0.841 . . . . 26.99 110.469 -178.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.85 -45.47 82.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.098 -0.956 . . . . 25.53 108.92 -179.076 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -63.5 -52.34 61.66 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 115.376 -0.829 . . . . 38.01 112.245 -178.292 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.07 -34.28 73.23 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 119.405 -0.918 . . . . 23.68 110.575 -179.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.61 -7.21 49.13 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.897 -0.502 . . . . 22.17 111.704 -179.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.42 32.65 83.73 Favored Glycine 0 CA--C 1.54 1.606 0 N-CA-C 118.633 2.213 . . . . 27.81 118.633 -178.264 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.539 HD11 ' CE ' ' A' ' 79' ' ' MET . 0.0 OUTLIER -78.31 142.73 13.72 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.485 0 O-C-N 119.806 -1.997 . . . . 31.88 115.726 -179.881 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.8 p -130.83 -29.33 1.91 Allowed 'General case' 0 CA--C 1.55 0.975 0 O-C-N 121.118 -0.988 . . . . 22.37 112.635 -179.514 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -122.28 154.76 37.15 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-O 122.029 0.919 . . . . 20.7 108.954 177.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' MET . . . . . 0.692 ' HG3' ' HA ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -130.34 144.84 54.88 Favored Pre-proline 0 N--CA 1.43 -1.465 0 CA-C-N 115.905 -0.589 . . . . 35.31 111.514 -177.172 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.692 ' HA ' ' HG3' ' A' ' 79' ' ' MET . 27.7 Cg_endo -81.51 162.11 79.74 Favored 'Cis proline' 0 CA--C 1.5 -1.204 0 C-N-CA 123.019 -1.659 . . . . 23.62 112.315 0.045 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 16.4 m -130.09 136.41 49.31 Favored 'General case' 0 CA--C 1.497 -1.065 0 N-CA-C 106.559 -1.645 . . . . 17.68 106.559 176.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -119.86 137.15 54.18 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 108.242 -1.021 . . . . 17.05 108.242 177.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -121.71 152.62 39.2 Favored 'General case' 0 C--O 1.258 1.518 0 N-CA-C 107.887 -1.153 . . . . 18.21 107.887 177.487 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 73.9 t -117.02 129.31 73.78 Favored 'Isoleucine or valine' 0 C--O 1.242 0.691 0 N-CA-C 104.743 -2.318 . . . . 20.94 104.743 172.915 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -115.88 138.26 51.33 Favored 'General case' 0 C--O 1.254 1.342 0 O-C-N 121.761 -0.587 . . . . 18.48 109.628 176.528 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -137.87 131.59 31.25 Favored 'General case' 0 C--O 1.251 1.162 0 N-CA-C 106.006 -1.85 . . . . 38.47 106.006 177.437 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 53.75 38.99 29.71 Favored 'General case' 0 CA--C 1.506 -0.739 0 N-CA-C 113.694 0.998 . . . . 30.43 113.694 179.532 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 84.83 -3.08 87.66 Favored Glycine 0 C--O 1.224 -0.481 0 N-CA-C 117.878 1.911 . . . . 20.49 117.878 177.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 27.7 m -130.63 159.59 42.53 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 CA-C-N 118.7 1.25 . . . . 19.55 113.588 -177.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.0 tttt -70.91 130.85 42.68 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 119.779 -0.768 . . . . 30.26 110.185 -179.315 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -121.23 -9.16 9.15 Favored 'General case' 0 CA--C 1.505 -0.764 0 N-CA-C 113.507 0.929 . . . . 20.0 113.507 -179.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -172.87 161.84 4.66 Favored 'General case' 0 C--O 1.276 2.481 0 N-CA-C 108.161 -1.052 . . . . 25.7 108.161 179.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.6 p30 -153.58 173.24 16.02 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 113.653 0.983 . . . . 24.09 113.653 177.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 49.7 tp -157.2 132.24 8.91 Favored 'General case' 0 C--O 1.249 1.074 0 N-CA-C 104.81 -2.293 . . . . 19.72 104.81 179.374 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 80.3 t -121.94 125.05 72.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 N-CA-C 108.775 -0.824 . . . . 23.32 108.775 -179.001 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 121.26 169.33 13.7 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 121.285 -0.483 . . . . 27.02 111.91 179.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.4 43.08 1.08 Allowed 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 115.644 1.72 . . . . 32.0 115.644 -178.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.6 t -79.26 114.36 18.13 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.874 -0.417 . . . . 35.41 109.874 178.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -64.07 -45.58 88.15 Favored 'General case' 0 CA--C 1.505 -0.787 0 C-N-CA 118.964 -1.094 . . . . 43.65 113.475 179.421 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -60.77 -36.48 79.06 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 114.422 1.268 . . . . 49.13 114.422 179.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -72.46 -39.03 68.07 Favored 'General case' 0 N--CA 1.429 -1.52 0 C-N-CA 118.417 -1.313 . . . . 35.27 111.681 179.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 36.6 tp -59.32 -44.51 92.58 Favored 'General case' 0 CA--C 1.56 1.327 0 CA-C-O 121.993 0.902 . . . . 27.08 109.472 179.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -58.86 -45.29 90.47 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-O 121.652 0.739 . . . . 45.0 112.108 178.577 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.44 -40.67 97.34 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 114.72 -1.127 . . . . 29.74 110.7 -178.003 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.5 tp -64.22 -50.48 67.87 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 115.393 -0.821 . . . . 30.54 111.366 178.348 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 57.7 t -62.36 -52.58 58.38 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.718 0 N-CA-C 109.2 -0.667 . . . . 28.22 109.2 179.784 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -52.9 -46.87 68.19 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.983 0.42 . . . . 28.4 110.158 179.032 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.405 ' HE3' ' NE2' ' A' ' 109' ' ' HIS . 11.6 ttpp -55.11 -49.12 72.55 Favored 'General case' 0 N--CA 1.437 -1.115 0 C-N-CA 118.921 -1.111 . . . . 44.11 112.852 -179.384 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HIS . . . . . 0.405 ' NE2' ' HE3' ' A' ' 108' ' ' LYS . 96.8 m-70 -81.54 -20.09 40.73 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 115.638 1.718 . . . . 36.8 115.638 -176.795 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.441 ' C ' ' H ' ' A' ' 112' ' ' ALA . . . -73.74 -43.26 59.61 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 107.633 -1.247 . . . . 50.88 107.633 179.419 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.499 ' O ' ' HB3' ' A' ' 112' ' ' ALA . . . -70.53 39.99 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.165 -0.47 . . . . 62.07 110.563 -179.579 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 111' ' ' ALA . . . . . . . . 0 C--O 1.251 1.161 0 CA-C-O 117.894 -1.05 . . . . 68.81 110.03 -179.699 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.93 0 CA-C-O 118.433 -1.204 . . . . 23.76 110.621 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 57.65 -144.2 41.21 Favored Glycine 0 C--N 1.353 1.482 0 N-CA-C 106.971 -2.451 . . . . 22.9 106.971 -179.096 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 11.9 m -101.52 17.11 23.62 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 121.882 -0.775 . . . . 27.78 112.4 178.91 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 96.4 t -65.69 131.94 31.4 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 C-N-CA 119.888 -0.725 . . . . 21.25 112.06 -178.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 53.8 mt -95.6 129.19 46.05 Favored 'Isoleucine or valine' 0 C--O 1.255 1.358 0 N-CA-C 107.316 -1.364 . . . . 21.77 107.316 177.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -97.02 129.38 47.15 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.58 0 C-N-CA 115.592 -2.443 . . . . 25.26 109.603 179.365 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.716 HD11 ' HG ' ' B' ' 60' ' ' LEU . 1.1 mp -86.76 127.77 40.15 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.198 0 CA-C-N 114.927 -1.033 . . . . 27.14 108.834 -178.009 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 52.2 p30 -118.13 1.51 11.95 Favored 'General case' 0 C--O 1.256 1.41 0 N-CA-C 114.506 1.298 . . . . 39.21 114.506 179.11 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 82.7 p -157.13 160.28 38.66 Favored 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 109.641 -0.503 . . . . 23.37 109.641 179.36 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 43.0 tptt -64.05 -32.44 73.99 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-O 122.034 0.921 . . . . 35.8 109.815 178.235 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.59 -37.45 84.94 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 115.738 -0.665 . . . . 21.32 110.608 179.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.37 -38.67 71.55 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 106.802 -1.555 . . . . 19.8 106.802 -179.45 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' TRP . . . . . . . . . . . . . 28.6 t-105 -59.12 -47.2 86.14 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.036 -0.984 . . . . 22.07 110.991 179.815 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -64.51 -38.66 91.79 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 110.035 -0.357 . . . . 29.89 110.035 -178.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.2 -41.39 97.08 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 119.38 -0.343 . . . . 22.02 111.75 -179.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -68.63 -40.49 80.29 Favored 'General case' 0 C--O 1.25 1.088 0 N-CA-C 112.587 0.588 . . . . 25.03 112.587 179.811 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.13 -41.47 97.2 Favored 'General case' 0 C--N 1.348 0.52 0 C-N-CA 120.58 -0.448 . . . . 23.79 109.832 179.196 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.41 -43.87 98.12 Favored 'General case' 0 C--O 1.243 0.76 0 C-N-CA 121.393 -0.123 . . . . 25.01 111.072 177.206 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.585 ' O ' ' HB2' ' B' ' 23' ' ' GLU . 22.1 ttpt -58.42 -48.76 79.64 Favored 'General case' 0 C--O 1.222 -0.343 0 N-CA-C 108.594 -0.891 . . . . 36.02 108.594 179.967 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' B' ' 24' ' ' HIS . . . -54.91 -38.34 64.77 Favored Glycine 0 C--N 1.31 -0.881 0 N-CA-C 110.14 -1.184 . . . . 30.75 110.14 179.39 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.418 ' HG3' ' OD2' ' B' ' 87' ' ' ASP . 71.4 tttt -72.2 -45.08 61.79 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 118.055 -1.458 . . . . 42.35 110.165 -179.855 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.79 -49.36 73.38 Favored 'General case' 0 CA--C 1.487 -1.463 0 CA-C-N 115.405 -0.816 . . . . 61.43 109.753 178.434 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.585 ' HB2' ' O ' ' B' ' 19' ' ' LYS . 4.9 mt-10 -85.22 -8.21 58.67 Favored 'General case' 0 C--N 1.301 -1.536 1 O-C-N 130.126 4.641 . . . . 55.83 113.665 -175.601 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' B' ' 20' ' ' GLY . 75.1 m80 44.39 52.61 7.28 Favored 'General case' 0 C--N 1.269 -2.901 0 O-C-N 120.662 -1.274 . . . . 52.16 113.394 177.838 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 21.2 mttt -117.91 131.94 23.91 Favored Pre-proline 0 N--CA 1.492 1.655 0 N-CA-C 106.164 -1.791 . . . . 50.18 106.164 174.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -64.32 154.97 68.34 Favored 'Trans proline' 0 C--O 1.274 2.298 0 CA-C-N 124.691 2.711 . . . . 32.12 109.656 -179.742 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 88.0 mt -118.46 127.62 75.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.688 -0.856 . . . . 25.43 108.688 178.113 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.429 HG11 ' CE2' ' B' ' 59' ' ' PHE . 6.6 p -109.17 128.76 64.84 Favored 'Isoleucine or valine' 0 C--O 1.247 0.939 0 C-N-CA 118.152 -1.419 . . . . 29.45 108.63 174.713 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.545 ' O ' ' HA ' ' B' ' 82' ' ' PHE . 11.6 t -116.79 132.07 67.59 Favored 'Isoleucine or valine' 0 C--O 1.251 1.162 0 CA-C-N 114.534 -1.212 . . . . 20.68 113.294 -177.685 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.73 120.76 42.5 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 113.835 -1.53 . . . . 18.15 107.298 176.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -100.86 114.86 29.09 Favored 'General case' 0 C--O 1.255 1.346 0 N-CA-C 106.62 -1.622 . . . . 24.53 106.62 176.461 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' THR . . . . . 0.553 ' C ' ' CE ' ' B' ' 79' ' ' MET . 20.8 p -128.71 -179.37 5.03 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 123.862 0.727 . . . . 27.93 112.342 179.815 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -155.49 151.69 28.01 Favored 'General case' 0 CA--C 1.493 -1.213 0 N-CA-C 104.232 -2.506 . . . . 22.05 104.232 179.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 21.8 m -57.09 -41.88 79.67 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.346 -0.843 . . . . 36.55 110.766 179.463 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 35.9 p-90 -77.76 -1.25 30.41 Favored 'General case' 0 CA--C 1.493 -1.233 0 N-CA-C 115.309 1.596 . . . . 26.0 115.309 -175.553 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 50.8 t -85.14 110.85 19.29 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 113.537 0.94 . . . . 27.77 113.537 -177.961 179.644 -145.377 77.263 97.567 2.019 102.635 83.561 -65.316 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.19 -65.88 2.78 Favored Glycine 0 C--N 1.338 0.642 0 CA-C-N 115.008 -0.996 . . . . 30.71 111.828 -179.274 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -49.73 -33.24 31.49 Favored 'Trans proline' 0 CA--C 1.515 -0.44 0 C-N-CA 122.253 1.969 . . . . 31.37 111.006 -179.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' B' ' 80' ' ' PRO . 97.4 m -55.66 -45.48 77.68 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 119.022 -1.071 . . . . 30.36 110.576 179.158 -65.316 83.561 77.263 102.635 2.019 97.567 -145.377 179.644 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -66.22 -27.95 68.37 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 119.173 -1.011 . . . . 53.24 113.309 -179.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -30.86 65.48 Favored 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 113.125 0.787 . . . . 62.13 113.125 -178.013 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 5.6 tp -96.86 -10.19 8.91 Favored 'Isoleucine or valine' 0 C--N 1.384 2.077 0 C-N-CA 119.372 -0.931 . . . . 31.62 109.852 -177.673 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.7 -46.57 98.27 Favored Pre-proline 0 C--N 1.345 0.399 0 N-CA-C 117.437 2.384 . . . . 28.55 117.437 -178.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -57.53 -43.2 53.2 Favored 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 121.232 1.288 . . . . 28.93 110.394 179.826 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -46.46 89.41 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.572 -0.74 . . . . 28.63 109.406 -179.334 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -61.37 -44.46 97.12 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 106.975 -1.491 . . . . 24.21 106.975 -179.42 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -61.27 -37.09 81.88 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 114.165 1.172 . . . . 35.79 114.165 178.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 15.7 m -66.18 -45.87 79.33 Favored 'General case' 0 C--O 1.251 1.172 0 CA-C-O 122.61 1.195 . . . . 28.77 110.479 178.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 48.0 mt -61.74 -32.02 72.23 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 114.371 -1.286 . . . . 25.16 110.468 177.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 84.3 p -67.47 -27.21 66.83 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-N 118.95 0.795 . . . . 23.9 110.315 -179.026 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -77.91 -54.15 6.64 Favored 'General case' 0 C--O 1.212 -0.891 0 N-CA-C 108.753 -0.832 . . . . 31.6 108.753 177.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -55.3 -30.66 60.61 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.171 0.804 . . . . 39.4 113.171 -178.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -109.46 15.78 22.74 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 113.241 0.83 . . . . 36.85 113.241 -178.235 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.54 127.28 27.1 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 109.166 -0.679 . . . . 33.48 109.166 -179.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.37 -13.78 66.8 Favored Glycine 0 C--N 1.34 0.771 0 N-CA-C 116.94 1.536 . . . . 38.93 116.94 179.52 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 64.6 mttt -109.08 -37.46 5.8 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 121.916 0.865 . . . . 56.48 110.103 178.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 94.8 t -132.77 133.49 59.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-N 113.525 -1.67 . . . . 30.89 111.12 -177.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 36.2 mt -90.68 125.97 43.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 N-CA-C 107.18 -1.415 . . . . 32.91 107.18 178.268 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' PHE . . . . . 0.429 ' CE2' HG11 ' B' ' 28' ' ' VAL . 21.4 m-85 -107.95 131.02 54.98 Favored 'General case' 0 C--O 1.246 0.909 0 CA-C-O 121.511 0.672 . . . . 24.26 109.517 -179.742 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.716 ' HG ' HD11 ' B' ' 7' ' ' ILE . 1.5 mp -125.57 147.29 49.33 Favored 'General case' 0 C--O 1.244 0.813 0 CA-C-N 114.714 -1.13 . . . . 19.58 111.498 -178.222 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -124.74 134.06 52.95 Favored 'General case' 0 CA--C 1.556 1.2 0 N-CA-C 107.849 -1.167 . . . . 38.11 107.849 176.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 93.5 t -129.73 114.46 30.58 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.886 0 CA-C-O 121.485 0.66 . . . . 20.06 110.505 -179.003 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.87 ' OD2' ' HB2' ' B' ' 65' ' ' ASP . 9.6 t70 -80.67 113.89 19.18 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 104.318 -2.475 . . . . 43.38 104.318 176.566 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 14.3 m -56.55 -27.56 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 CA-C-O 121.7 0.762 . . . . 27.79 113.037 -178.277 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.956 ' OD2' ' OD2' ' A' ' 65' ' ' ASP . 87.7 m-20 -64.81 -50.21 67.62 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 126.726 2.01 . . . . 53.02 112.95 178.825 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.18 -26.97 39.03 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 114.484 1.29 . . . . 32.77 114.484 -178.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 3.5 t -129.73 63.01 0.3 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.263 0 N-CA-C 113.744 1.016 . . . . 28.96 113.744 -179.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -47.29 -44.25 23.09 Favored 'General case' 0 CA--C 1.495 -1.144 0 N-CA-C 115.445 1.646 . . . . 27.37 115.445 -178.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.34 -44.31 75.78 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 119.847 -0.741 . . . . 27.76 112.05 -178.301 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 50.6 t -70.17 -38.83 75.92 Favored 'Isoleucine or valine' 0 C--O 1.242 0.7 0 C-N-CA 119.888 -0.725 . . . . 26.17 112.231 -178.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.57 -40.7 95.68 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-O 121.527 0.679 . . . . 23.99 110.02 179.513 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -65.26 -54.67 25.78 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 114.987 -1.006 . . . . 49.88 109.398 -178.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.12 -35.24 59.47 Favored 'General case' 0 C--O 1.226 -0.182 0 N-CA-C 112.652 0.612 . . . . 28.9 112.652 178.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.98 -10.39 59.57 Favored 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 116.68 2.104 . . . . 26.8 116.68 -178.44 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.19 33.6 59.03 Favored Glycine 0 CA--C 1.524 0.613 0 C-N-CA 119.316 -1.421 . . . . 26.41 114.822 178.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 10.6 mm -74.11 133.76 30.95 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.441 0 CA-C-O 121.214 0.53 . . . . 29.29 110.819 -178.159 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -132.6 -23.94 2.03 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 114.122 1.156 . . . . 35.11 114.122 -177.52 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -141.45 149.94 41.63 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.646 -0.706 . . . . 25.75 110.893 -177.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' MET . . . . . 0.553 ' CE ' ' C ' ' B' ' 32' ' ' THR . 3.5 mmt -116.04 138.79 24.37 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 124.048 0.939 . . . . 37.17 111.439 -178.519 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' PRO . . . . . 0.401 ' HB3' ' SG ' ' B' ' 39' ' ' CYS . 91.6 Cg_endo -91.37 163.67 28.88 Favored 'Cis proline' 0 N--CA 1.461 -0.386 0 C-N-CA 121.086 -2.464 . . . . 23.21 107.722 -0.697 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 3.0 m -130.11 141.8 50.66 Favored 'General case' 0 C--O 1.247 0.932 0 N-CA-C 105.833 -1.914 . . . . 21.36 105.833 178.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' PHE . . . . . 0.545 ' HA ' ' O ' ' B' ' 29' ' ' VAL . 61.7 m-85 -122.4 132.22 54.26 Favored 'General case' 0 C--O 1.256 1.415 0 N-CA-C 107.102 -1.444 . . . . 22.14 107.102 175.273 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -112.54 155.05 24.98 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 108.381 -0.97 . . . . 23.32 108.381 174.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 11.7 t -122.26 125.39 72.82 Favored 'Isoleucine or valine' 0 C--O 1.249 1.047 0 N-CA-C 101.593 -3.484 . . . . 24.29 101.593 175.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -114.76 132.58 56.4 Favored 'General case' 0 C--O 1.244 0.804 0 N-CA-C 106.719 -1.586 . . . . 28.69 106.719 178.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 5.3 mtpp -133.99 124.61 26.59 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 104.052 -2.574 . . . . 52.59 104.052 178.021 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' ASP . . . . . 0.418 ' OD2' ' HG3' ' B' ' 21' ' ' LYS . 0.9 OUTLIER 62.25 34.54 15.92 Favored 'General case' 0 CA--C 1.505 -0.782 0 N-CA-C 114.747 1.388 . . . . 53.23 114.747 179.606 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 73.23 7.16 71.27 Favored Glycine 0 C--O 1.213 -1.197 0 N-CA-C 115.145 0.818 . . . . 32.82 115.145 176.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -127.86 146.02 34.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 C-N-CA 119.171 -1.012 . . . . 34.08 109.827 -178.564 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -64.99 121.19 14.09 Favored 'General case' 0 CA--C 1.554 1.096 0 C-N-CA 118.731 -1.188 . . . . 34.21 110.581 179.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -104.37 -19.57 14.02 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 115.236 1.569 . . . . 31.62 115.236 -178.214 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -168.59 160.25 10.7 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 106.552 -1.647 . . . . 33.09 106.552 -179.264 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 35.9 p30 -150.86 168.44 24.47 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 108.972 -0.751 . . . . 28.84 108.972 177.049 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 11.9 tp -151.98 129.09 11.11 Favored 'General case' 0 C--O 1.213 -0.84 0 N-CA-C 104.326 -2.472 . . . . 27.08 104.326 -178.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 52.6 t -117.09 134.55 60.3 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 N-CA-C 108.334 -0.988 . . . . 25.08 108.334 178.633 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 115.45 164.94 14.44 Favored Glycine 0 C--O 1.22 -0.776 0 C-N-CA 118.76 -1.686 . . . . 22.36 109.565 179.644 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -103.05 38.66 1.71 Allowed 'General case' 0 C--O 1.25 1.111 0 N-CA-C 115.884 1.809 . . . . 32.26 115.884 -176.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 10.6 t -76.06 114.67 14.98 Favored 'General case' 0 N--CA 1.437 -1.093 0 CA-C-N 115.727 -0.669 . . . . 32.37 110.919 178.432 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -63.76 -41.94 97.89 Favored 'General case' 0 C--O 1.25 1.088 0 N-CA-C 114.871 1.434 . . . . 50.51 114.871 178.792 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -64.58 -41.91 95.96 Favored 'General case' 0 CA--C 1.496 -1.125 0 C-N-CA 120.492 -0.483 . . . . 44.74 111.355 -178.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -66.86 -34.39 77.7 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 119.13 -1.028 . . . . 46.59 112.497 179.343 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 16.6 tp -66.19 -46.37 77.56 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 107.548 -1.279 . . . . 23.6 107.548 -179.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 16.0 mtmt -54.24 -46.92 72.69 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.596 -0.729 . . . . 42.64 111.66 178.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.69 -44.66 95.66 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.379 -0.828 . . . . 26.97 110.717 -179.477 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 42.0 tp -52.64 -54.89 27.03 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-O 122.111 0.958 . . . . 25.96 110.246 -179.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 75.9 t -61.54 -40.11 85.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 114.713 -1.131 . . . . 29.8 112.989 -177.118 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -66.04 -48.67 70.32 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 120.239 -0.584 . . . . 35.76 111.071 179.801 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -53.57 -42.46 67.59 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 118.291 -1.364 . . . . 50.97 113.09 -179.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -84.2 -19.59 33.76 Favored 'General case' 0 N--CA 1.436 -1.125 0 N-CA-C 115.691 1.738 . . . . 36.27 115.691 -178.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.68 -30.17 68.78 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.445 -0.576 . . . . 49.41 109.445 -179.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -101.86 46.96 0.91 Allowed 'General case' 0 C--O 1.24 0.563 0 N-CA-C 108.024 -1.102 . . . . 63.07 108.024 178.582 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.234 0 N-CA-C 115.923 1.823 . . . . 73.22 115.923 179.831 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 244' ' ' HOH . . . . . 0.448 ' O ' ' NZ ' ' A' ' 21' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 209' ' ' HOH . . . . . 0.431 ' O ' ' NZ ' ' B' ' 19' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_