data_1enc_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 1enc _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 ' 7' ' ' LEU . . . . . . . . . . . . . 18.3 mt . . . . . 0 C--O 1.249 1.027 0 N-CA-C 106.653 -1.61 . . . . 43.12 106.653 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -147.62 141.37 25.67 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 107.392 -1.336 . . . . 60.47 107.392 177.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -84.82 154.76 22.12 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 125.327 2.489 . . . . 46.21 109.591 178.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -140.61 144.94 38.29 Favored Pre-proline 0 C--N 1.296 -1.752 0 O-C-N 119.42 -2.05 . . . . 52.48 109.084 178.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -63.24 155.28 62.6 Favored 'Trans proline' 0 C--N 1.302 -1.894 0 CA-C-O 123.622 1.426 . . . . 28.74 111.117 177.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -157.27 165.54 35.58 Favored 'General case' 0 C--N 1.312 -1.06 0 N-CA-C 103.881 -2.637 . . . . 27.02 103.881 175.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.0 m -126.65 129.97 49.53 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-O 116.668 -1.634 . . . . 26.56 110.254 -177.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.78 137.11 58.22 Favored 'General case' 0 C--N 1.308 -1.208 0 O-C-N 125.373 1.671 . . . . 29.21 111.324 -179.754 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.6 mt -110.18 -59.6 3.2 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.05 0 N-CA-C 101.378 -3.564 . . . . 30.89 101.378 173.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -159.99 136.7 9.12 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 125.948 2.03 . . . . 44.86 113.578 -178.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.61 140.24 37.19 Favored 'General case' 0 C--O 1.251 1.164 0 N-CA-C 105.038 -2.208 . . . . 30.62 105.038 176.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.3 mt -108.22 -47.85 7.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 C-N-CA 118.888 -1.125 . . . . 35.45 110.526 -177.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 55.8 p30 -160.09 -171.21 3.12 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 104.261 -2.496 . . . . 33.34 104.261 179.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.1 -40.42 59.08 Favored Glycine 0 C--N 1.303 -1.304 0 O-C-N 126.326 2.266 . . . . 25.03 115.094 -178.049 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -112.75 10.24 19.22 Favored 'General case' 0 C--O 1.245 0.867 0 CA-C-O 115.955 -1.974 . . . . 31.43 116.007 -176.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.4 m -137.38 124.1 21.14 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 120.428 1.467 . . . . 22.84 114.077 -178.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.4 m -133.15 143.9 37.95 Favored 'Isoleucine or valine' 0 C--O 1.251 1.18 0 N-CA-C 109.193 -0.669 . . . . 26.82 109.193 178.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.73 124.57 43.66 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 105.302 -2.11 . . . . 54.02 105.302 178.151 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.2 mt -127.27 157.16 40.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 126.622 2.451 . . . . 26.06 111.434 -177.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 49.5 tpp -95.22 111.01 22.92 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 100.42 -3.918 . . . . 44.22 100.42 173.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -121.08 111.88 18.01 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 124.974 1.421 . . . . 36.97 109.051 -178.275 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . 0.583 ' NZ ' ' CB ' ' A' ' 28' ' ' LYS . 6.8 mtmp? 50.27 56.56 7.74 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.439 1.496 . . . . 58.2 110.281 -179.463 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.89 11.28 57.76 Favored Glycine 0 N--CA 1.438 -1.215 0 O-C-N 126.013 2.071 . . . . 41.21 116.003 179.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -122.11 132.32 24.27 Favored Pre-proline 0 N--CA 1.484 1.23 0 CA-C-N 119.01 1.405 . . . . 55.55 108.42 179.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -73.98 134.64 19.96 Favored 'Trans proline' 0 C--N 1.318 -1.05 0 N-CA-C 106.073 -2.318 . . . . 35.91 106.073 174.07 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 24.4 ptm -155.72 146.62 22.28 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 122.982 1.372 . . . . 44.26 113.702 178.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 85.6 m -81.48 130.72 35.15 Favored 'General case' 0 C--O 1.257 1.481 0 CA-C-N 112.304 -2.226 . . . . 26.72 108.801 176.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -116.8 136.22 53.13 Favored 'General case' 0 C--O 1.214 -0.784 0 O-C-N 126.678 2.486 . . . . 20.46 108.637 178.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.0 tpt85 -112.54 129.59 56.3 Favored 'General case' 0 C--N 1.307 -1.271 0 O-C-N 128.217 3.448 . . . . 22.14 102.363 176.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.9 mp -64.53 124.76 22.67 Favored 'General case' 0 C--O 1.253 1.256 0 O-C-N 124.132 0.895 . . . . 20.93 110.067 179.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.6 mt -66.13 145.51 55.74 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.863 -0.608 . . . . 20.9 109.773 177.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 83.4 mt 63.28 15.75 8.89 Favored 'General case' 0 C--N 1.308 -1.224 1 C-N-CA 132.233 4.213 . . . . 31.76 116.306 169.745 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . 0.302 1.2 t -124.86 147.36 29.48 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.281 0 O-C-N 124.968 1.418 . . . . 30.51 110.835 -175.094 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -132.05 112.89 12.74 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 113.584 -1.643 . . . . 38.24 109.091 174.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 62.3 p -98.33 152.15 37.83 Favored Pre-proline 0 N--CA 1.479 1.014 0 O-C-N 125.218 1.574 . . . . 36.47 108.63 175.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -62.6 138.79 72.12 Favored 'Trans proline' 0 C--N 1.317 -1.1 0 N-CA-C 104.888 -2.774 . . . . 40.04 104.888 175.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -80.95 153.49 27.48 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.265 -0.88 . . . . 60.4 111.541 -176.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 60.8 p -113.05 -43.98 3.33 Favored 'General case' 0 C--N 1.315 -0.892 0 O-C-N 126.797 2.561 . . . . 63.54 110.058 179.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.93 95.7 6.18 Favored 'General case' 0 C--N 1.312 -1.053 0 O-C-N 125.329 1.643 . . . . 69.77 113.511 -177.042 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' HIS . . . . . 1.07 ' CD2' ' CD ' ' A' ' 47' ' ' PRO . 6.7 t-160 176.88 134.12 0.2 Allowed Pre-proline 0 C--N 1.319 -0.736 0 N-CA-C 115.895 1.813 . . . . 76.3 115.895 172.1 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' PRO . . . . . 1.07 ' CD ' ' CD2' ' A' ' 46' ' ' HIS . 3.2 Cg_exo -59.25 -39.9 73.84 Favored 'Trans proline' 0 C--O 1.272 2.206 0 C-N-CA 122.704 2.27 . . . . 76.61 110.557 177.291 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LYS . . . . . 0.98 ' CB ' ' CE1' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -87.73 105.23 17.24 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 127.014 2.696 . . . . 76.28 111.281 -178.968 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp 78.96 21.67 0.67 Allowed 'General case' 0 CA--C 1.556 1.199 0 CA-C-N 113.991 -1.459 . . . . 77.98 109.308 -179.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 30.53 -124.71 0.15 Allowed Glycine 0 N--CA 1.507 3.405 0 C-N-CA 126.421 1.963 . . . . 71.55 114.902 176.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.7 t -106.77 109.46 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.82 0 O-C-N 127.901 2.765 . . . . 62.91 107.225 178.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -87.93 161.33 17.51 Favored 'General case' 0 C--N 1.307 -1.269 0 O-C-N 126.815 2.572 . . . . 60.49 109.703 -175.185 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.5 ttmt -61.19 134.52 57.1 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 126.339 2.274 . . . . 63.25 106.247 179.777 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 81.34 -11.29 1.11 Allowed 'General case' 0 C--O 1.256 1.438 0 CA-C-N 115.446 -0.797 . . . . 45.16 111.644 -177.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -50.47 -60.37 6.89 Favored Glycine 0 N--CA 1.476 1.342 0 CA-C-N 120.444 1.475 . . . . 33.62 111.193 175.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -52.51 -43.07 57.48 Favored 'Trans proline' 0 C--O 1.245 0.871 1 C-N-CA 125.767 4.311 . . . . 30.35 114.348 175.746 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.32 -50.43 72.99 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 115.919 -1.991 . . . . 51.45 110.625 176.995 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.33 -41.96 97.89 Favored 'General case' 0 C--N 1.318 -0.781 0 O-C-N 125.156 1.535 . . . . 22.84 111.269 178.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.8 m -65.6 -44.27 87.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 116.967 -1.492 . . . . 32.87 110.287 178.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.98 -39.28 93.23 Favored 'General case' 0 N--CA 1.484 1.225 0 O-C-N 125.212 1.57 . . . . 25.67 111.457 -179.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -61.08 -51.77 67.75 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-O 122.585 1.183 . . . . 26.91 110.223 -179.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 55.8 m -59.95 -46.84 88.1 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 118.292 -2.755 . . . . 22.57 110.554 179.173 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 40.0 tttm -53.14 -55.54 23.34 Favored 'General case' 0 C--O 1.252 1.186 0 C-N-CA 124.979 1.311 . . . . 38.11 110.631 178.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' LYS . . . . . 0.466 ' CD ' ' O ' ' A' ' 182' ' ' HOH . 0.0 OUTLIER -60.76 -42.25 97.08 Favored 'General case' 0 C--O 1.25 1.122 0 CA-C-O 122.803 1.287 . . . . 43.14 113.189 -178.954 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 17.9 ttt -59.63 -51.09 71.31 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-N 113.891 -1.504 . . . . 27.74 111.351 -179.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.8 m -78.07 -33.93 18.63 Favored 'Isoleucine or valine' 0 C--O 1.253 1.261 0 O-C-N 120.289 -1.507 . . . . 25.73 113.14 -176.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -71.57 -27.59 63.25 Favored 'General case' 0 C--O 1.253 1.266 0 C-N-CA 119.014 -1.075 . . . . 41.2 112.668 -178.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -85.69 -11.72 53.01 Favored 'General case' 0 C--O 1.246 0.874 0 N-CA-C 114.792 1.404 . . . . 55.31 114.792 -179.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.22 145.02 42.32 Favored 'General case' 0 C--O 1.252 1.219 0 N-CA-C 107.141 -1.429 . . . . 31.08 107.141 -178.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.5 pttt -96.67 -18.73 19.5 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 111.394 -2.639 . . . . 32.33 108.394 174.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -136.28 118.3 15.35 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.641 -0.662 . . . . 37.95 111.546 178.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 29.0 mm -107.29 135.94 44.14 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 N-CA-C 106.212 -1.773 . . . . 28.26 106.212 174.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -130.52 147.55 52.22 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 124.659 1.225 . . . . 30.2 109.221 174.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.0 t -111.6 133.7 56.39 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.293 0 CA-C-N 111.365 -2.652 . . . . 27.21 107.76 -178.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -131.65 107.27 8.7 Favored 'General case' 0 N--CA 1.484 1.225 0 CA-C-O 118.47 -0.776 . . . . 31.86 109.034 178.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -75.6 157.06 34.3 Favored 'General case' 0 C--O 1.251 1.171 0 O-C-N 125.353 1.658 . . . . 25.29 108.255 178.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -92.23 -167.65 1.81 Allowed 'General case' 0 C--O 1.253 1.253 0 O-C-N 125.393 1.683 . . . . 24.69 106.627 176.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -80.48 -20.54 43.48 Favored 'General case' 0 C--O 1.251 1.167 0 CA-C-O 115.359 -2.257 . . . . 45.8 114.396 -177.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -96.26 -147.4 22.6 Favored Glycine 0 C--N 1.309 -0.945 0 CA-C-O 123.223 1.457 . . . . 26.72 112.213 -179.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -57.36 142.69 42.72 Favored 'General case' 0 C--O 1.253 1.274 0 CA-C-O 125.099 2.38 . . . . 49.1 110.148 178.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -103.0 -3.79 25.55 Favored 'General case' 0 CA--C 1.496 -1.111 0 CA-C-N 113.344 -1.753 . . . . 46.33 114.723 -175.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.3 p -139.23 152.97 47.76 Favored 'General case' 0 C--N 1.31 -1.149 0 O-C-N 127.795 3.184 . . . . 30.66 106.013 177.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 50.0 p30 -98.53 -179.11 4.22 Favored 'General case' 0 CA--C 1.55 0.967 0 O-C-N 126.148 2.155 . . . . 24.32 105.613 177.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' LYS . . . . . 0.525 ' NZ ' ' O2P' ' A' ' 151' ' ' THP . 24.6 pttt -60.27 -19.33 54.43 Favored 'General case' 0 C--O 1.253 1.289 0 N-CA-C 114.68 1.363 . . . . 37.74 114.68 179.355 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -92.56 0.47 57.43 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 121.524 0.678 . . . . 31.67 112.276 178.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 85.04 10.36 78.63 Favored Glycine 0 N--CA 1.471 0.973 0 C-N-CA 120.783 -0.722 . . . . 20.61 113.321 179.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 -85.81 139.96 30.84 Favored 'General case' 0 C--O 1.251 1.163 0 O-C-N 121.595 -0.944 . . . . 22.64 110.108 -179.296 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -67.75 142.92 41.08 Favored Glycine 0 N--CA 1.489 2.17 0 N-CA-C 106.225 -2.75 . . . . 22.61 106.225 176.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 95.4 mt -110.13 110.68 21.64 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 107.225 -1.398 . . . . 19.07 107.225 178.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -152.14 171.54 17.74 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 123.46 1.6 . . . . 17.76 112.217 -177.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -93.41 124.74 37.61 Favored 'General case' 0 C--O 1.249 1.04 0 N-CA-C 101.999 -3.334 . . . . 23.49 101.999 170.36 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 60.6 mt -109.55 132.51 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 118.244 -1.382 . . . . 25.65 109.488 -179.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -111.77 128.93 56.25 Favored 'General case' 0 C--N 1.316 -0.865 0 O-C-N 127.752 3.157 . . . . 20.22 109.676 -177.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -112.95 112.48 23.98 Favored 'General case' 0 C--O 1.25 1.13 0 O-C-N 126.651 2.47 . . . . 21.06 104.604 175.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 49.55 44.45 24.25 Favored 'General case' 0 N--CA 1.482 1.162 0 O-C-N 124.688 1.243 . . . . 30.65 111.785 -178.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.18 -4.92 56.95 Favored Glycine 0 C--O 1.266 2.116 0 CA-C-O 115.983 -2.565 . . . . 28.07 117.107 179.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.85 129.25 41.91 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 120.397 2.099 . . . . 38.0 108.349 179.118 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 23.9 ttm -73.03 118.63 16.21 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 119.088 0.858 . . . . 20.2 109.737 179.081 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 59.0 t -60.6 -39.19 80.65 Favored 'Isoleucine or valine' 0 C--O 1.25 1.107 0 CA-C-O 118.437 -0.792 . . . . 21.21 110.183 177.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -57.22 -43.3 82.7 Favored 'General case' 0 N--CA 1.497 1.884 0 C-N-CA 117.312 -1.755 . . . . 19.07 112.011 -176.299 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -73.19 -41.63 63.6 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-O 118.447 -0.787 . . . . 31.48 111.193 -176.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.89 -49.64 62.62 Favored 'General case' 0 C--O 1.257 1.449 0 O-C-N 126.111 2.132 . . . . 18.54 110.211 177.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 59.0 mt -59.94 -48.31 82.2 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 119.807 -1.808 . . . . 24.67 111.026 179.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 41.9 t -60.11 -50.1 81.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-N 114.799 -1.091 . . . . 21.27 108.783 -178.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 45.5 tpt85 -53.47 -36.44 61.64 Favored 'General case' 0 C--O 1.245 0.848 0 O-C-N 125.292 1.62 . . . . 24.16 113.545 178.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' GLN . . . . . 0.428 ' O ' ' ND2' ' A' ' 138' ' ' ASN . 45.5 mm-40 -83.17 -1.79 53.87 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 128.949 2.899 . . . . 35.2 114.252 179.328 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.73 33.05 74.96 Favored Glycine 0 N--CA 1.478 1.456 0 C-N-CA 119.116 -1.516 . . . . 26.42 109.579 -178.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.27 1.04 18.34 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-O 123.568 1.651 . . . . 25.42 113.464 178.723 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -157.58 151.91 24.83 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 117.967 -2.958 . . . . 24.46 109.936 179.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -105.89 146.78 29.52 Favored 'General case' 0 C--O 1.246 0.903 0 N-CA-C 105.745 -1.946 . . . . 51.07 105.745 176.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 16.8 t -72.28 118.73 17.72 Favored 'Isoleucine or valine' 0 C--O 1.261 1.677 0 N-CA-C 103.254 -2.869 . . . . 29.16 103.254 175.614 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -146.48 175.69 10.37 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 126.158 2.161 . . . . 28.84 111.682 -176.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 52.23 50.84 17.54 Favored 'General case' 0 C--O 1.26 1.613 0 O-C-N 126.956 2.66 . . . . 39.01 110.408 176.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 25.0 t -84.53 102.81 11.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 C-N-CA 116.962 -1.895 . . . . 39.82 106.897 -177.205 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -113.1 113.39 25.35 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 106.823 -1.547 . . . . 39.98 106.823 179.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.3 mttp -64.21 148.1 96.09 Favored Pre-proline 0 C--O 1.257 1.448 0 CA-C-O 116.442 -1.742 . . . . 54.94 109.957 178.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -91.74 22.72 28.29 Favored 'Cis proline' 0 C--O 1.251 1.152 0 O-C-N 123.852 1.449 . . . . 34.49 113.126 -0.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -85.89 60.0 5.97 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 107.906 -1.146 . . . . 28.6 107.906 179.658 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -144.26 24.68 1.59 Allowed 'General case' 0 C--N 1.312 -1.038 0 O-C-N 125.179 1.549 . . . . 35.97 111.528 -172.529 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 91.0 m -53.67 -40.83 66.26 Favored 'General case' 0 CA--C 1.501 -0.922 0 C-N-CA 117.289 -1.764 . . . . 31.75 111.704 -178.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -96.95 9.06 43.05 Favored 'General case' 0 C--O 1.249 1.058 0 CA-C-O 115.49 -2.195 . . . . 28.82 114.273 -174.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -50.24 -47.93 54.81 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 117.586 2.439 . . . . 38.33 117.586 -179.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.4 -49.53 77.45 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-O 123.354 1.549 . . . . 52.45 110.522 178.782 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -51.61 -52.52 46.97 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 114.544 -1.207 . . . . 45.18 109.537 176.338 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' LEU . . . . . 0.408 ' N ' ' CD2' ' A' ' 125' ' ' LEU . 16.7 mt -67.31 -37.17 82.93 Favored 'General case' 0 C--O 1.249 1.039 0 O-C-N 121.275 -0.891 . . . . 30.05 111.054 -179.314 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 64.3 mtt-85 -62.62 -40.09 95.86 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 119.723 -0.791 . . . . 46.78 109.254 -178.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -57.14 -48.66 78.13 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 124.068 1.889 . . . . 47.53 110.101 178.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 74.4 m -68.62 -34.24 75.42 Favored 'General case' 0 CA--C 1.506 -0.721 0 CA-C-O 117.652 -1.166 . . . . 25.21 108.99 -178.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -65.84 -45.05 83.65 Favored 'General case' 0 C--O 1.249 1.048 0 O-C-N 126.656 2.472 . . . . 36.23 111.993 178.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' ALA . . . . . 0.571 ' O ' ' CE ' ' A' ' 134' ' ' LYS . . . -57.37 -42.59 82.38 Favored 'General case' 0 N--CA 1.48 1.048 0 O-C-N 126.238 2.211 . . . . 29.88 108.945 178.498 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' GLN . . . . . 0.408 ' NE2' ' OE2' ' A' ' 135' ' ' GLU . 66.4 tp60 -60.63 -48.46 81.66 Favored 'General case' 0 C--O 1.25 1.099 0 O-C-N 125.19 1.556 . . . . 36.88 112.419 177.769 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.97 -32.75 74.39 Favored 'General case' 0 C--O 1.245 0.824 0 CA-C-O 122.989 1.376 . . . . 29.14 110.472 178.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 13.9 ttmm -69.35 -45.54 69.17 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 113.654 -1.612 . . . . 53.99 107.962 -179.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' LYS . . . . . 0.571 ' CE ' ' O ' ' A' ' 130' ' ' ALA . 0.1 OUTLIER -62.17 -34.47 76.47 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 116.762 -1.589 . . . . 45.26 108.457 177.712 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' GLU . . . . . 0.408 ' OE2' ' NE2' ' A' ' 131' ' ' GLN . 86.4 mt-10 -88.88 4.29 48.36 Favored 'General case' 0 C--O 1.259 1.593 0 N-CA-C 114.45 1.278 . . . . 32.61 114.45 178.168 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt 51.54 47.66 24.4 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 125.186 1.394 . . . . 49.8 111.878 178.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 35.5 mt -88.71 138.92 30.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 125.135 1.522 . . . . 34.74 111.959 -177.106 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 106' ' ' GLN . 75.0 m-80 36.26 -105.5 0.04 OUTLIER 'General case' 0 C--N 1.305 -1.34 0 O-C-N 126.234 2.209 . . . . 37.38 111.377 175.427 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 8.4 mt -47.95 -33.83 4.01 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.207 0 C-N-CA 124.759 1.224 . . . . 42.06 109.783 179.016 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 56.9 m95 -94.73 14.57 20.82 Favored 'General case' 0 C--O 1.255 1.352 0 CA-C-O 117.395 -1.288 . . . . 42.94 112.458 -178.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 64.2 p . . . . . 0 C--O 1.262 1.753 0 O-C-N 124.316 1.01 . . . . 52.07 111.049 -177.148 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' THP . . . . . 0.525 ' O2P' ' NZ ' ' A' ' 84' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 170' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 171' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 178' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 179' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 180' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 181' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 182' ' ' HOH . . . . . 0.466 ' O ' ' CD ' ' A' ' 64' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 183' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 184' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 185' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 186' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 187' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 188' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 189' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 190' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 191' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 192' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 18.3 mt . . . . . 0 C--O 1.249 1.027 0 N-CA-C 106.653 -1.61 . . . . 43.12 106.653 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -147.62 141.37 25.67 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 107.392 -1.336 . . . . 60.47 107.392 177.694 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -84.82 154.76 22.12 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 125.327 2.489 . . . . 46.21 109.591 178.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -140.61 144.94 38.29 Favored Pre-proline 0 C--N 1.296 -1.752 0 O-C-N 119.42 -2.05 . . . . 52.48 109.084 178.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -63.24 155.28 62.6 Favored 'Trans proline' 0 C--N 1.302 -1.894 0 CA-C-O 123.622 1.426 . . . . 28.74 111.117 177.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -157.27 165.54 35.58 Favored 'General case' 0 C--N 1.312 -1.06 0 N-CA-C 103.881 -2.637 . . . . 27.02 103.881 175.215 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.0 m -126.65 129.97 49.53 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-O 116.668 -1.634 . . . . 26.56 110.254 -177.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.78 137.11 58.22 Favored 'General case' 0 C--N 1.308 -1.208 0 O-C-N 125.373 1.671 . . . . 29.21 111.324 -179.754 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.6 mt -110.18 -59.6 3.2 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.05 0 N-CA-C 101.378 -3.564 . . . . 30.89 101.378 173.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -159.99 136.7 9.12 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 125.948 2.03 . . . . 44.86 113.578 -178.653 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.61 140.24 37.19 Favored 'General case' 0 C--O 1.251 1.164 0 N-CA-C 105.038 -2.208 . . . . 30.62 105.038 176.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.3 mt -108.22 -47.85 7.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 C-N-CA 118.888 -1.125 . . . . 35.45 110.526 -177.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 55.8 p30 -160.09 -171.21 3.12 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 104.261 -2.496 . . . . 33.34 104.261 179.736 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.1 -40.42 59.08 Favored Glycine 0 C--N 1.303 -1.304 0 O-C-N 126.326 2.266 . . . . 25.03 115.094 -178.049 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLU . . . . . 0.541 ' HA ' HD12 ' A' ' 36' ' ' LEU . 8.0 pt-20 -112.75 10.24 19.22 Favored 'General case' 0 C--O 1.245 0.867 0 CA-C-O 115.955 -1.974 . . . . 31.43 116.007 -176.291 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.4 m -137.38 124.1 21.14 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 120.428 1.467 . . . . 22.84 114.077 -178.309 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.4 m -133.15 143.9 37.95 Favored 'Isoleucine or valine' 0 C--O 1.251 1.18 0 N-CA-C 109.193 -0.669 . . . . 26.82 109.193 178.08 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.73 124.57 43.66 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 105.302 -2.11 . . . . 54.02 105.302 178.151 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.2 mt -127.27 157.16 40.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 126.622 2.451 . . . . 26.06 111.434 -177.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 49.5 tpp -95.22 111.01 22.92 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 100.42 -3.918 . . . . 44.22 100.42 173.595 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -121.08 111.88 18.01 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 124.974 1.421 . . . . 36.97 109.051 -178.275 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . 0.583 ' NZ ' ' CB ' ' A' ' 28' ' ' LYS . 6.8 mtmp? 50.27 56.56 7.74 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.439 1.496 . . . . 58.2 110.281 -179.463 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.89 11.28 57.76 Favored Glycine 0 N--CA 1.438 -1.215 0 O-C-N 126.013 2.071 . . . . 41.21 116.003 179.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -122.11 132.32 24.27 Favored Pre-proline 0 N--CA 1.484 1.23 0 CA-C-N 119.01 1.405 . . . . 55.55 108.42 179.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -73.98 134.64 19.96 Favored 'Trans proline' 0 C--N 1.318 -1.05 0 N-CA-C 106.073 -2.318 . . . . 35.91 106.073 174.07 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' MET . . . . . 0.565 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 24.4 ptm -155.72 146.62 22.28 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 122.982 1.372 . . . . 44.26 113.702 178.242 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 85.6 m -81.48 130.72 35.15 Favored 'General case' 0 C--O 1.257 1.481 0 CA-C-N 112.304 -2.226 . . . . 26.72 108.801 176.413 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' PHE . . . . . 0.565 ' CE1' ' HG3' ' A' ' 32' ' ' MET . 28.4 m-85 -116.8 136.22 53.13 Favored 'General case' 0 C--O 1.214 -0.784 0 O-C-N 126.678 2.486 . . . . 20.46 108.637 178.727 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.0 tpt85 -112.54 129.59 56.3 Favored 'General case' 0 C--N 1.307 -1.271 0 O-C-N 128.217 3.448 . . . . 22.14 102.363 176.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LEU . . . . . 0.541 HD12 ' HA ' ' A' ' 21' ' ' GLU . 8.9 mp -64.53 124.76 22.67 Favored 'General case' 0 C--O 1.253 1.256 0 O-C-N 124.132 0.895 . . . . 20.93 110.067 179.894 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.6 mt -66.13 145.51 55.74 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.863 -0.608 . . . . 20.9 109.773 177.731 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 83.4 mt 63.28 15.75 8.89 Favored 'General case' 0 C--N 1.308 -1.224 1 C-N-CA 132.233 4.213 . . . . 31.76 116.306 169.745 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . 0.302 1.2 t -124.86 147.36 29.48 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.281 0 O-C-N 124.968 1.418 . . . . 30.51 110.835 -175.094 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASP . . . . . 0.52 ' O ' ' HE3' ' A' ' 110' ' ' LYS . 30.9 t0 -132.05 112.89 12.74 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 113.584 -1.643 . . . . 38.24 109.091 174.032 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' THR . . . . . 0.408 HG22 ' HB2' ' A' ' 109' ' ' ALA . 62.3 p -98.33 152.15 37.83 Favored Pre-proline 0 N--CA 1.479 1.014 0 O-C-N 125.218 1.574 . . . . 36.47 108.63 175.911 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -62.6 138.79 72.12 Favored 'Trans proline' 0 C--N 1.317 -1.1 0 N-CA-C 104.888 -2.774 . . . . 40.04 104.888 175.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -80.95 153.49 27.48 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.265 -0.88 . . . . 60.4 111.541 -176.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' THR . . . . . 0.642 ' O ' HG22 ' A' ' 51' ' ' VAL . 60.8 p -113.05 -43.98 3.33 Favored 'General case' 0 C--N 1.315 -0.892 0 O-C-N 126.797 2.561 . . . . 63.54 110.058 179.152 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LYS . . . . . 0.462 ' HB2' ' HE2' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -103.93 95.7 6.18 Favored 'General case' 0 C--N 1.312 -1.053 0 O-C-N 125.329 1.643 . . . . 69.77 113.511 -177.042 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 46' ' ' HIS . . . . . 1.536 ' CD2' ' HD2' ' A' ' 47' ' ' PRO . 6.7 t-160 176.88 134.12 0.2 Allowed Pre-proline 0 C--N 1.319 -0.736 0 N-CA-C 115.895 1.813 . . . . 76.3 115.895 172.1 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' PRO . . . . . 1.536 ' HD2' ' CD2' ' A' ' 46' ' ' HIS . 3.2 Cg_exo -59.25 -39.9 73.84 Favored 'Trans proline' 0 C--O 1.272 2.206 0 C-N-CA 122.704 2.27 . . . . 76.61 110.557 177.291 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LYS . . . . . 1.303 ' HB3' ' CE1' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -87.73 105.23 17.24 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 127.014 2.696 . . . . 76.28 111.281 -178.968 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 49' ' ' LYS . . . . . 0.596 ' HB2' ' O ' ' A' ' 48' ' ' LYS . 6.1 mmtp 78.96 21.67 0.67 Allowed 'General case' 0 CA--C 1.556 1.199 0 CA-C-N 113.991 -1.459 . . . . 77.98 109.308 -179.126 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLY . . . . . 0.625 ' HA2' ' O ' ' A' ' 46' ' ' HIS . . . 30.53 -124.71 0.15 Allowed Glycine 0 N--CA 1.507 3.405 0 C-N-CA 126.421 1.963 . . . . 71.55 114.902 176.546 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' VAL . . . . . 0.642 HG22 ' O ' ' A' ' 44' ' ' THR . 54.7 t -106.77 109.46 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.82 0 O-C-N 127.901 2.765 . . . . 62.91 107.225 178.834 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -87.93 161.33 17.51 Favored 'General case' 0 C--N 1.307 -1.269 0 O-C-N 126.815 2.572 . . . . 60.49 109.703 -175.185 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LYS . . . . . 0.593 ' O ' ' HB2' ' A' ' 54' ' ' TYR . 18.5 ttmt -61.19 134.52 57.1 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 126.339 2.274 . . . . 63.25 106.247 179.777 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' TYR . . . . . 0.593 ' HB2' ' O ' ' A' ' 53' ' ' LYS . 52.0 m-85 81.34 -11.29 1.11 Allowed 'General case' 0 C--O 1.256 1.438 0 CA-C-N 115.446 -0.797 . . . . 45.16 111.644 -177.479 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -50.47 -60.37 6.89 Favored Glycine 0 N--CA 1.476 1.342 0 CA-C-N 120.444 1.475 . . . . 33.62 111.193 175.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -52.51 -43.07 57.48 Favored 'Trans proline' 0 C--O 1.245 0.871 1 C-N-CA 125.767 4.311 . . . . 30.35 114.348 175.746 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.32 -50.43 72.99 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 115.919 -1.991 . . . . 51.45 110.625 176.995 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.33 -41.96 97.89 Favored 'General case' 0 C--N 1.318 -0.781 0 O-C-N 125.156 1.535 . . . . 22.84 111.269 178.982 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.8 m -65.6 -44.27 87.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 116.967 -1.492 . . . . 32.87 110.287 178.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.98 -39.28 93.23 Favored 'General case' 0 N--CA 1.484 1.225 0 O-C-N 125.212 1.57 . . . . 25.67 111.457 -179.032 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -61.08 -51.77 67.75 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-O 122.585 1.183 . . . . 26.91 110.223 -179.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 55.8 m -59.95 -46.84 88.1 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 118.292 -2.755 . . . . 22.57 110.554 179.173 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 40.0 tttm -53.14 -55.54 23.34 Favored 'General case' 0 C--O 1.252 1.186 0 C-N-CA 124.979 1.311 . . . . 38.11 110.631 178.401 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' LYS . . . . . 0.892 ' HD3' ' O ' ' A' ' 182' ' ' HOH . 0.0 OUTLIER -60.76 -42.25 97.08 Favored 'General case' 0 C--O 1.25 1.122 0 CA-C-O 122.803 1.287 . . . . 43.14 113.189 -178.954 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 17.9 ttt -59.63 -51.09 71.31 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-N 113.891 -1.504 . . . . 27.74 111.351 -179.587 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.8 m -78.07 -33.93 18.63 Favored 'Isoleucine or valine' 0 C--O 1.253 1.261 0 O-C-N 120.289 -1.507 . . . . 25.73 113.14 -176.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -71.57 -27.59 63.25 Favored 'General case' 0 C--O 1.253 1.266 0 C-N-CA 119.014 -1.075 . . . . 41.2 112.668 -178.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ASN . . . . . 0.522 ' HB2' ' O ' ' A' ' 64' ' ' LYS . 2.1 m120 -85.69 -11.72 53.01 Favored 'General case' 0 C--O 1.246 0.874 0 N-CA-C 114.792 1.404 . . . . 55.31 114.792 -179.914 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.22 145.02 42.32 Favored 'General case' 0 C--O 1.252 1.219 0 N-CA-C 107.141 -1.429 . . . . 31.08 107.141 -178.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.5 pttt -96.67 -18.73 19.5 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 111.394 -2.639 . . . . 32.33 108.394 174.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -136.28 118.3 15.35 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.641 -0.662 . . . . 37.95 111.546 178.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 29.0 mm -107.29 135.94 44.14 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 N-CA-C 106.212 -1.773 . . . . 28.26 106.212 174.159 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -130.52 147.55 52.22 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 124.659 1.225 . . . . 30.2 109.221 174.207 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.0 t -111.6 133.7 56.39 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.293 0 CA-C-N 111.365 -2.652 . . . . 27.21 107.76 -178.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -131.65 107.27 8.7 Favored 'General case' 0 N--CA 1.484 1.225 0 CA-C-O 118.47 -0.776 . . . . 31.86 109.034 178.325 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -75.6 157.06 34.3 Favored 'General case' 0 C--O 1.251 1.171 0 O-C-N 125.353 1.658 . . . . 25.29 108.255 178.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ASP . . . . . 0.425 ' HB3' ' OD1' ' A' ' 118' ' ' ASN . 8.6 t0 -92.23 -167.65 1.81 Allowed 'General case' 0 C--O 1.253 1.253 0 O-C-N 125.393 1.683 . . . . 24.69 106.627 176.626 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -80.48 -20.54 43.48 Favored 'General case' 0 C--O 1.251 1.167 0 CA-C-O 115.359 -2.257 . . . . 45.8 114.396 -177.023 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -96.26 -147.4 22.6 Favored Glycine 0 C--N 1.309 -0.945 0 CA-C-O 123.223 1.457 . . . . 26.72 112.213 -179.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' A' ' 184' ' ' HOH . 8.0 pt20 -57.36 142.69 42.72 Favored 'General case' 0 C--O 1.253 1.274 0 CA-C-O 125.099 2.38 . . . . 49.1 110.148 178.859 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -103.0 -3.79 25.55 Favored 'General case' 0 CA--C 1.496 -1.111 0 CA-C-N 113.344 -1.753 . . . . 46.33 114.723 -175.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' A' ' 87' ' ' ARG . 28.3 p -139.23 152.97 47.76 Favored 'General case' 0 C--N 1.31 -1.149 0 O-C-N 127.795 3.184 . . . . 30.66 106.013 177.678 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 50.0 p30 -98.53 -179.11 4.22 Favored 'General case' 0 CA--C 1.55 0.967 0 O-C-N 126.148 2.155 . . . . 24.32 105.613 177.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' LYS . . . . . 0.738 ' HE3' ' CE2' ' A' ' 85' ' ' TYR . 24.6 pttt -60.27 -19.33 54.43 Favored 'General case' 0 C--O 1.253 1.289 0 N-CA-C 114.68 1.363 . . . . 37.74 114.68 179.355 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 85' ' ' TYR . . . . . 0.738 ' CE2' ' HE3' ' A' ' 84' ' ' LYS . 92.1 m-85 -92.56 0.47 57.43 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 121.524 0.678 . . . . 31.67 112.276 178.632 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 85.04 10.36 78.63 Favored Glycine 0 N--CA 1.471 0.973 0 C-N-CA 120.783 -0.722 . . . . 20.61 113.321 179.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ARG . . . . . 0.433 ' O ' ' HA ' ' A' ' 82' ' ' THR . 79.5 mtm180 -85.81 139.96 30.84 Favored 'General case' 0 C--O 1.251 1.163 0 O-C-N 121.595 -0.944 . . . . 22.64 110.108 -179.296 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -67.75 142.92 41.08 Favored Glycine 0 N--CA 1.489 2.17 0 N-CA-C 106.225 -2.75 . . . . 22.61 106.225 176.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 95.4 mt -110.13 110.68 21.64 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 107.225 -1.398 . . . . 19.07 107.225 178.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -152.14 171.54 17.74 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 123.46 1.6 . . . . 17.76 112.217 -177.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -93.41 124.74 37.61 Favored 'General case' 0 C--O 1.249 1.04 0 N-CA-C 101.999 -3.334 . . . . 23.49 101.999 170.36 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ILE . . . . . 0.4 HD12 HD23 ' A' ' 36' ' ' LEU . 60.6 mt -109.55 132.51 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 118.244 -1.382 . . . . 25.65 109.488 -179.784 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -111.77 128.93 56.25 Favored 'General case' 0 C--N 1.316 -0.865 0 O-C-N 127.752 3.157 . . . . 20.22 109.676 -177.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -112.95 112.48 23.98 Favored 'General case' 0 C--O 1.25 1.13 0 O-C-N 126.651 2.47 . . . . 21.06 104.604 175.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 49.55 44.45 24.25 Favored 'General case' 0 N--CA 1.482 1.162 0 O-C-N 124.688 1.243 . . . . 30.65 111.785 -178.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.18 -4.92 56.95 Favored Glycine 0 C--O 1.266 2.116 0 CA-C-O 115.983 -2.565 . . . . 28.07 117.107 179.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' LYS . . . . . 0.657 ' HD3' ' N ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -94.85 129.25 41.91 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 120.397 2.099 . . . . 40.85 108.349 179.118 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 23.9 ttm -73.03 118.63 16.21 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 119.088 0.858 . . . . 20.2 109.737 179.081 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 59.0 t -60.6 -39.19 80.65 Favored 'Isoleucine or valine' 0 C--O 1.25 1.107 0 CA-C-O 118.437 -0.792 . . . . 21.21 110.183 177.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -57.22 -43.3 82.7 Favored 'General case' 0 N--CA 1.497 1.884 0 C-N-CA 117.312 -1.755 . . . . 19.07 112.011 -176.299 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 101' ' ' GLU . . . . . 0.6 ' HA ' ' CD1' ' A' ' 125' ' ' LEU . 12.2 tm-20 -73.19 -41.63 63.6 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-O 118.447 -0.787 . . . . 31.48 111.193 -176.227 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.89 -49.64 62.62 Favored 'General case' 0 C--O 1.257 1.449 0 O-C-N 126.111 2.132 . . . . 18.54 110.211 177.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 59.0 mt -59.94 -48.31 82.2 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 119.807 -1.808 . . . . 24.67 111.026 179.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 41.9 t -60.11 -50.1 81.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-N 114.799 -1.091 . . . . 21.27 108.783 -178.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 45.5 tpt85 -53.47 -36.44 61.64 Favored 'General case' 0 C--O 1.245 0.848 0 O-C-N 125.292 1.62 . . . . 24.16 113.545 178.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -83.17 -1.79 53.87 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 128.949 2.899 . . . . 35.2 114.252 179.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.73 33.05 74.96 Favored Glycine 0 N--CA 1.478 1.456 0 C-N-CA 119.116 -1.516 . . . . 26.42 109.579 -178.766 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.27 1.04 18.34 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-O 123.568 1.651 . . . . 25.42 113.464 178.723 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 109' ' ' ALA . . . . . 0.408 ' HB2' HG22 ' A' ' 41' ' ' THR . . . -157.58 151.91 24.83 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 117.967 -2.958 . . . . 24.46 109.936 179.233 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 110' ' ' LYS . . . . . 0.52 ' HE3' ' O ' ' A' ' 40' ' ' ASP . 2.2 mtmt -105.89 146.78 29.52 Favored 'General case' 0 C--O 1.246 0.903 0 N-CA-C 105.745 -1.946 . . . . 51.07 105.745 176.307 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 16.8 t -72.28 118.73 17.72 Favored 'Isoleucine or valine' 0 C--O 1.261 1.677 0 N-CA-C 103.254 -2.869 . . . . 29.16 103.254 175.614 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ALA . . . . . 0.446 ' HB3' ' HB2' ' A' ' 40' ' ' ASP . . . -146.48 175.69 10.37 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 126.158 2.161 . . . . 28.84 111.682 -176.615 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 52.23 50.84 17.54 Favored 'General case' 0 C--O 1.26 1.613 0 O-C-N 126.956 2.66 . . . . 39.01 110.408 176.253 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 25.0 t -84.53 102.81 11.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 C-N-CA 116.962 -1.895 . . . . 39.82 106.897 -177.205 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -113.1 113.39 25.35 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 106.823 -1.547 . . . . 39.98 106.823 179.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' LYS . . . . . 0.58 ' HG3' ' O ' ' A' ' 156' ' ' HOH . 8.3 mttp -64.21 148.1 96.09 Favored Pre-proline 0 C--O 1.257 1.448 0 CA-C-O 116.442 -1.742 . . . . 54.94 109.957 178.48 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -91.74 22.72 28.29 Favored 'Cis proline' 0 C--O 1.251 1.152 0 O-C-N 123.852 1.449 . . . . 34.49 113.126 -0.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' ASN . . . . . 0.425 ' OD1' ' HB3' ' A' ' 77' ' ' ASP . 21.1 m-20 -85.89 60.0 5.97 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 107.906 -1.146 . . . . 28.6 107.906 179.658 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -144.26 24.68 1.59 Allowed 'General case' 0 C--N 1.312 -1.038 0 O-C-N 125.179 1.549 . . . . 35.97 111.528 -172.529 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 91.0 m -53.67 -40.83 66.26 Favored 'General case' 0 CA--C 1.501 -0.922 0 C-N-CA 117.289 -1.764 . . . . 31.75 111.704 -178.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HIS . . . . . 0.744 ' O ' HD23 ' A' ' 125' ' ' LEU . 32.8 m-70 -96.95 9.06 43.05 Favored 'General case' 0 C--O 1.249 1.058 0 CA-C-O 115.49 -2.195 . . . . 28.82 114.273 -174.471 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -50.24 -47.93 54.81 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 117.586 2.439 . . . . 38.33 117.586 -179.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.4 -49.53 77.45 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-O 123.354 1.549 . . . . 52.45 110.522 178.782 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HIS . . . . . 0.44 ' NE2' ' HG3' ' A' ' 101' ' ' GLU . 43.4 t60 -51.61 -52.52 46.97 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 114.544 -1.207 . . . . 45.18 109.537 176.338 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 125' ' ' LEU . . . . . 0.744 HD23 ' O ' ' A' ' 121' ' ' HIS . 16.7 mt -67.31 -37.17 82.93 Favored 'General case' 0 C--O 1.249 1.039 0 O-C-N 121.275 -0.891 . . . . 30.52 111.054 -179.314 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 64.3 mtt-85 -62.62 -40.09 95.86 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 119.723 -0.791 . . . . 46.78 109.254 -178.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -57.14 -48.66 78.13 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 124.068 1.889 . . . . 47.53 110.101 178.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 74.4 m -68.62 -34.24 75.42 Favored 'General case' 0 CA--C 1.506 -0.721 0 CA-C-O 117.652 -1.166 . . . . 25.21 108.99 -178.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -65.84 -45.05 83.65 Favored 'General case' 0 C--O 1.249 1.048 0 O-C-N 126.656 2.472 . . . . 36.23 111.993 178.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' ALA . . . . . 0.728 ' O ' ' HE2' ' A' ' 134' ' ' LYS . . . -57.37 -42.59 82.38 Favored 'General case' 0 N--CA 1.48 1.048 0 O-C-N 126.238 2.211 . . . . 29.88 108.945 178.498 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 66.4 tp60 -60.63 -48.46 81.66 Favored 'General case' 0 C--O 1.25 1.099 0 O-C-N 125.19 1.556 . . . . 36.88 112.419 177.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.97 -32.75 74.39 Favored 'General case' 0 C--O 1.245 0.824 0 CA-C-O 122.989 1.376 . . . . 29.14 110.472 178.644 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' LYS . . . . . 0.502 ' HB3' ' HE2' ' A' ' 134' ' ' LYS . 13.9 ttmm -69.35 -45.54 69.17 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 113.654 -1.612 . . . . 53.99 107.962 -179.229 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 134' ' ' LYS . . . . . 0.728 ' HE2' ' O ' ' A' ' 130' ' ' ALA . 0.1 OUTLIER -62.17 -34.47 76.47 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 116.762 -1.589 . . . . 45.26 108.457 177.712 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -88.88 4.29 48.36 Favored 'General case' 0 C--O 1.259 1.593 0 N-CA-C 114.45 1.278 . . . . 32.61 114.45 178.168 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt 51.54 47.66 24.4 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 125.186 1.394 . . . . 49.8 111.878 178.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 35.5 mt -88.71 138.92 30.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 125.135 1.522 . . . . 34.74 111.959 -177.106 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 36.26 -105.5 0.04 OUTLIER 'General case' 0 C--N 1.305 -1.34 0 O-C-N 126.234 2.209 . . . . 37.38 111.377 175.427 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 8.4 mt -47.95 -33.83 4.01 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.207 0 C-N-CA 124.759 1.224 . . . . 42.06 109.783 179.016 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 56.9 m95 -94.73 14.57 20.82 Favored 'General case' 0 C--O 1.255 1.352 0 CA-C-O 117.395 -1.288 . . . . 42.94 112.458 -178.273 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 64.2 p . . . . . 0 C--O 1.262 1.753 0 O-C-N 124.316 1.01 . . . . 52.07 111.049 -177.148 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 151' ' ' THP . . . . . 0.429 ' O2P' ' NZ ' ' A' ' 84' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 156' ' ' HOH . . . . . 0.58 ' O ' ' HG3' ' A' ' 116' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 170' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 171' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 178' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 179' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 180' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 181' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 182' ' ' HOH . . . . . 0.892 ' O ' ' HD3' ' A' ' 64' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 183' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 184' ' ' HOH . . . . . 0.476 ' O ' ' HG2' ' A' ' 80' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 185' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 186' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 187' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 188' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 189' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 190' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 191' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 192' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 18.3 mt . . . . . 0 C--O 1.249 1.027 0 N-CA-C 106.653 -1.61 . . . . 43.12 106.653 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -147.62 141.37 25.67 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 107.392 -1.336 . . . . 60.47 107.392 177.694 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -84.82 154.76 22.12 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 125.327 2.489 . . . . 46.21 109.591 178.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -140.61 144.94 38.29 Favored Pre-proline 0 C--N 1.296 -1.752 0 O-C-N 119.42 -2.05 . . . . 52.48 109.084 178.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -63.24 155.28 62.6 Favored 'Trans proline' 0 C--N 1.302 -1.894 0 CA-C-O 123.622 1.426 . . . . 28.74 111.117 177.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -157.27 165.54 35.58 Favored 'General case' 0 C--N 1.312 -1.06 0 N-CA-C 103.881 -2.637 . . . . 27.02 103.881 175.215 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.0 m -126.65 129.97 49.53 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-O 116.668 -1.634 . . . . 26.56 110.254 -177.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.78 137.11 58.22 Favored 'General case' 0 C--N 1.308 -1.208 0 O-C-N 125.373 1.671 . . . . 29.21 111.324 -179.754 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.6 mt -110.18 -59.6 3.2 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.05 0 N-CA-C 101.378 -3.564 . . . . 30.89 101.378 173.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -159.99 136.7 9.12 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 125.948 2.03 . . . . 44.86 113.578 -178.653 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.61 140.24 37.19 Favored 'General case' 0 C--O 1.251 1.164 0 N-CA-C 105.038 -2.208 . . . . 30.62 105.038 176.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.3 mt -108.22 -47.85 7.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 C-N-CA 118.888 -1.125 . . . . 35.45 110.526 -177.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 55.8 p30 -160.09 -171.21 3.12 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 104.261 -2.496 . . . . 33.34 104.261 179.736 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.1 -40.42 59.08 Favored Glycine 0 C--N 1.303 -1.304 0 O-C-N 126.326 2.266 . . . . 25.03 115.094 -178.049 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.541 ' HA ' HD12 ' A' ' 36' ' ' LEU . 8.0 pt-20 -112.75 10.24 19.22 Favored 'General case' 0 C--O 1.245 0.867 0 CA-C-O 115.955 -1.974 . . . . 31.43 116.007 -176.291 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.4 m -137.38 124.1 21.14 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 120.428 1.467 . . . . 22.84 114.077 -178.309 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.4 m -133.15 143.9 37.95 Favored 'Isoleucine or valine' 0 C--O 1.251 1.18 0 N-CA-C 109.193 -0.669 . . . . 26.82 109.193 178.08 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.73 124.57 43.66 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 105.302 -2.11 . . . . 54.02 105.302 178.151 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.2 mt -127.27 157.16 40.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 126.622 2.451 . . . . 26.06 111.434 -177.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 49.5 tpp -95.22 111.01 22.92 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 100.42 -3.918 . . . . 44.22 100.42 173.595 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -121.08 111.88 18.01 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 124.974 1.421 . . . . 36.97 109.051 -178.275 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.583 ' NZ ' ' CB ' ' A' ' 28' ' ' LYS . 6.8 mtmp? 50.27 56.56 7.74 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.439 1.496 . . . . 58.2 110.281 -179.463 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.89 11.28 57.76 Favored Glycine 0 N--CA 1.438 -1.215 0 O-C-N 126.013 2.071 . . . . 41.21 116.003 179.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -122.11 132.32 24.27 Favored Pre-proline 0 N--CA 1.484 1.23 0 CA-C-N 119.01 1.405 . . . . 55.55 108.42 179.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -73.98 134.64 19.96 Favored 'Trans proline' 0 C--N 1.318 -1.05 0 N-CA-C 106.073 -2.318 . . . . 35.91 106.073 174.07 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' MET . . . . . 0.565 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 24.4 ptm -155.72 146.62 22.28 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 122.982 1.372 . . . . 44.26 113.702 178.242 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 85.6 m -81.48 130.72 35.15 Favored 'General case' 0 C--O 1.257 1.481 0 CA-C-N 112.304 -2.226 . . . . 26.72 108.801 176.413 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.565 ' CE1' ' HG3' ' A' ' 32' ' ' MET . 28.4 m-85 -116.8 136.22 53.13 Favored 'General case' 0 C--O 1.214 -0.784 0 O-C-N 126.678 2.486 . . . . 20.46 108.637 178.727 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.0 tpt85 -112.54 129.59 56.3 Favored 'General case' 0 C--N 1.307 -1.271 0 O-C-N 128.217 3.448 . . . . 22.14 102.363 176.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.541 HD12 ' HA ' ' A' ' 21' ' ' GLU . 8.9 mp -64.53 124.76 22.67 Favored 'General case' 0 C--O 1.253 1.256 0 O-C-N 124.132 0.895 . . . . 20.93 110.067 179.894 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.6 mt -66.13 145.51 55.74 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.863 -0.608 . . . . 20.9 109.773 177.731 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 83.4 mt 63.28 15.75 8.89 Favored 'General case' 0 C--N 1.308 -1.224 1 C-N-CA 132.233 4.213 . . . . 31.76 116.306 169.745 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . 0.302 1.2 t -124.86 147.36 29.48 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.281 0 O-C-N 124.968 1.418 . . . . 30.51 110.835 -175.094 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.52 ' O ' ' HE3' ' A' ' 110' ' ' LYS . 30.9 t0 -132.05 112.89 12.74 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 113.584 -1.643 . . . . 38.24 109.091 174.032 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' THR . . . . . 0.408 HG22 ' HB2' ' A' ' 109' ' ' ALA . 62.3 p -98.33 152.15 37.83 Favored Pre-proline 0 N--CA 1.479 1.014 0 O-C-N 125.218 1.574 . . . . 36.47 108.63 175.911 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -62.6 138.79 72.12 Favored 'Trans proline' 0 C--N 1.317 -1.1 0 N-CA-C 104.888 -2.774 . . . . 40.04 104.888 175.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -80.95 153.49 27.48 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.265 -0.88 . . . . 60.4 111.541 -176.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' THR . . . . . 0.642 ' O ' HG22 ' A' ' 51' ' ' VAL . 60.8 p -113.05 -43.98 3.33 Favored 'General case' 0 C--N 1.315 -0.892 0 O-C-N 126.797 2.561 . . . . 63.54 110.058 179.152 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.462 ' HB2' ' HE2' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -103.93 95.7 6.18 Favored 'General case' 0 C--N 1.312 -1.053 0 O-C-N 125.329 1.643 . . . . 69.77 113.511 -177.042 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' HIS . . . . . 1.536 ' CD2' ' HD2' ' A' ' 47' ' ' PRO . 6.7 t-160 176.88 134.12 0.2 Allowed Pre-proline 0 C--N 1.319 -0.736 0 N-CA-C 115.895 1.813 . . . . 76.3 115.895 172.1 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' PRO . . . . . 1.536 ' HD2' ' CD2' ' A' ' 46' ' ' HIS . 3.2 Cg_exo -59.25 -39.9 73.84 Favored 'Trans proline' 0 C--O 1.272 2.206 0 C-N-CA 122.704 2.27 . . . . 76.61 110.557 177.291 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LYS . . . . . 1.303 ' HB3' ' CE1' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -87.73 105.23 17.24 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 127.014 2.696 . . . . 76.28 111.281 -178.968 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.596 ' HB2' ' O ' ' A' ' 48' ' ' LYS . 6.1 mmtp 78.96 21.67 0.67 Allowed 'General case' 0 CA--C 1.556 1.199 0 CA-C-N 113.991 -1.459 . . . . 77.98 109.308 -179.126 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.625 ' HA2' ' O ' ' A' ' 46' ' ' HIS . . . 30.53 -124.71 0.15 Allowed Glycine 0 N--CA 1.507 3.405 0 C-N-CA 126.421 1.963 . . . . 71.55 114.902 176.546 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.642 HG22 ' O ' ' A' ' 44' ' ' THR . 54.7 t -106.77 109.46 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.82 0 O-C-N 127.901 2.765 . . . . 62.91 107.225 178.834 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -87.93 161.33 17.51 Favored 'General case' 0 C--N 1.307 -1.269 0 O-C-N 126.815 2.572 . . . . 60.49 109.703 -175.185 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.593 ' O ' ' HB2' ' A' ' 54' ' ' TYR . 18.5 ttmt -61.19 134.52 57.1 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 126.339 2.274 . . . . 63.25 106.247 179.777 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.593 ' HB2' ' O ' ' A' ' 53' ' ' LYS . 52.0 m-85 81.34 -11.29 1.11 Allowed 'General case' 0 C--O 1.256 1.438 0 CA-C-N 115.446 -0.797 . . . . 45.16 111.644 -177.479 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -50.47 -60.37 6.89 Favored Glycine 0 N--CA 1.476 1.342 0 CA-C-N 120.444 1.475 . . . . 33.62 111.193 175.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -52.51 -43.07 57.48 Favored 'Trans proline' 0 C--O 1.245 0.871 1 C-N-CA 125.767 4.311 . . . . 30.35 114.348 175.746 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.32 -50.43 72.99 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 115.919 -1.991 . . . . 51.45 110.625 176.995 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.33 -41.96 97.89 Favored 'General case' 0 C--N 1.318 -0.781 0 O-C-N 125.156 1.535 . . . . 22.84 111.269 178.982 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.8 m -65.6 -44.27 87.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 116.967 -1.492 . . . . 32.87 110.287 178.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.98 -39.28 93.23 Favored 'General case' 0 N--CA 1.484 1.225 0 O-C-N 125.212 1.57 . . . . 25.67 111.457 -179.032 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -61.08 -51.77 67.75 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-O 122.585 1.183 . . . . 26.91 110.223 -179.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 55.8 m -59.95 -46.84 88.1 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 118.292 -2.755 . . . . 22.57 110.554 179.173 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 40.0 tttm -53.14 -55.54 23.34 Favored 'General case' 0 C--O 1.252 1.186 0 C-N-CA 124.979 1.311 . . . . 38.11 110.631 178.401 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.892 ' HD3' ' O ' ' A' ' 182' ' ' HOH . 0.0 OUTLIER -60.76 -42.25 97.08 Favored 'General case' 0 C--O 1.25 1.122 0 CA-C-O 122.803 1.287 . . . . 43.14 113.189 -178.954 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 17.9 ttt -59.63 -51.09 71.31 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-N 113.891 -1.504 . . . . 27.74 111.351 -179.587 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.8 m -78.07 -33.93 18.63 Favored 'Isoleucine or valine' 0 C--O 1.253 1.261 0 O-C-N 120.289 -1.507 . . . . 25.73 113.14 -176.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -71.57 -27.59 63.25 Favored 'General case' 0 C--O 1.253 1.266 0 C-N-CA 119.014 -1.075 . . . . 41.2 112.668 -178.025 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.522 ' HB2' ' O ' ' A' ' 64' ' ' LYS . 2.1 m120 -85.69 -11.72 53.01 Favored 'General case' 0 C--O 1.246 0.874 0 N-CA-C 114.792 1.404 . . . . 55.31 114.792 -179.914 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.22 145.02 42.32 Favored 'General case' 0 C--O 1.252 1.219 0 N-CA-C 107.141 -1.429 . . . . 31.08 107.141 -178.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.5 pttt -96.67 -18.73 19.5 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 111.394 -2.639 . . . . 32.33 108.394 174.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -136.28 118.3 15.35 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.641 -0.662 . . . . 37.95 111.546 178.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 29.0 mm -107.29 135.94 44.14 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 N-CA-C 106.212 -1.773 . . . . 28.26 106.212 174.159 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -130.52 147.55 52.22 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 124.659 1.225 . . . . 30.2 109.221 174.207 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.0 t -111.6 133.7 56.39 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.293 0 CA-C-N 111.365 -2.652 . . . . 27.21 107.76 -178.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -131.65 107.27 8.7 Favored 'General case' 0 N--CA 1.484 1.225 0 CA-C-O 118.47 -0.776 . . . . 31.86 109.034 178.325 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -75.6 157.06 34.3 Favored 'General case' 0 C--O 1.251 1.171 0 O-C-N 125.353 1.658 . . . . 25.29 108.255 178.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.425 ' HB3' ' OD1' ' A' ' 118' ' ' ASN . 8.6 t0 -92.23 -167.65 1.81 Allowed 'General case' 0 C--O 1.253 1.253 0 O-C-N 125.393 1.683 . . . . 24.69 106.627 176.626 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -80.48 -20.54 43.48 Favored 'General case' 0 C--O 1.251 1.167 0 CA-C-O 115.359 -2.257 . . . . 45.8 114.396 -177.023 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -96.26 -147.4 22.6 Favored Glycine 0 C--N 1.309 -0.945 0 CA-C-O 123.223 1.457 . . . . 26.72 112.213 -179.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' A' ' 184' ' ' HOH . 8.0 pt20 -57.36 142.69 42.72 Favored 'General case' 0 C--O 1.253 1.274 0 CA-C-O 125.099 2.38 . . . . 49.1 110.148 178.859 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -103.0 -3.79 25.55 Favored 'General case' 0 CA--C 1.496 -1.111 0 CA-C-N 113.344 -1.753 . . . . 46.33 114.723 -175.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' A' ' 87' ' ' ARG . 28.3 p -139.23 152.97 47.76 Favored 'General case' 0 C--N 1.31 -1.149 0 O-C-N 127.795 3.184 . . . . 30.66 106.013 177.678 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 50.0 p30 -98.53 -179.11 4.22 Favored 'General case' 0 CA--C 1.55 0.967 0 O-C-N 126.148 2.155 . . . . 24.32 105.613 177.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.738 ' HE3' ' CE2' ' A' ' 85' ' ' TYR . 24.6 pttt -60.27 -19.33 54.43 Favored 'General case' 0 C--O 1.253 1.289 0 N-CA-C 114.68 1.363 . . . . 37.74 114.68 179.355 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.738 ' CE2' ' HE3' ' A' ' 84' ' ' LYS . 92.1 m-85 -92.56 0.47 57.43 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 121.524 0.678 . . . . 31.67 112.276 178.632 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 85.04 10.36 78.63 Favored Glycine 0 N--CA 1.471 0.973 0 C-N-CA 120.783 -0.722 . . . . 20.61 113.321 179.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.433 ' O ' ' HA ' ' A' ' 82' ' ' THR . 79.5 mtm180 -85.81 139.96 30.84 Favored 'General case' 0 C--O 1.251 1.163 0 O-C-N 121.595 -0.944 . . . . 22.64 110.108 -179.296 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -67.75 142.92 41.08 Favored Glycine 0 N--CA 1.489 2.17 0 N-CA-C 106.225 -2.75 . . . . 22.61 106.225 176.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 95.4 mt -110.13 110.68 21.64 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 107.225 -1.398 . . . . 19.07 107.225 178.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -152.14 171.54 17.74 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 123.46 1.6 . . . . 17.76 112.217 -177.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -93.41 124.74 37.61 Favored 'General case' 0 C--O 1.249 1.04 0 N-CA-C 101.999 -3.334 . . . . 23.49 101.999 170.36 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.4 HD12 HD23 ' A' ' 36' ' ' LEU . 60.6 mt -109.55 132.51 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 118.244 -1.382 . . . . 25.65 109.488 -179.784 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -111.77 128.93 56.25 Favored 'General case' 0 C--N 1.316 -0.865 0 O-C-N 127.752 3.157 . . . . 20.22 109.676 -177.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -112.95 112.48 23.98 Favored 'General case' 0 C--O 1.25 1.13 0 O-C-N 126.651 2.47 . . . . 21.06 104.604 175.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 49.55 44.45 24.25 Favored 'General case' 0 N--CA 1.482 1.162 0 O-C-N 124.688 1.243 . . . . 30.65 111.785 -178.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.18 -4.92 56.95 Favored Glycine 0 C--O 1.266 2.116 0 CA-C-O 115.983 -2.565 . . . . 28.07 117.107 179.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.657 ' HD3' ' N ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -94.85 129.25 41.91 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 120.397 2.099 . . . . 40.85 108.349 179.118 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 23.9 ttm -73.03 118.63 16.21 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 119.088 0.858 . . . . 20.2 109.737 179.081 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 59.0 t -60.6 -39.19 80.65 Favored 'Isoleucine or valine' 0 C--O 1.25 1.107 0 CA-C-O 118.437 -0.792 . . . . 21.21 110.183 177.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -57.22 -43.3 82.7 Favored 'General case' 0 N--CA 1.497 1.884 0 C-N-CA 117.312 -1.755 . . . . 19.07 112.011 -176.299 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.6 ' HA ' ' CD1' ' A' ' 125' ' ' LEU . 12.2 tm-20 -73.19 -41.63 63.6 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-O 118.447 -0.787 . . . . 31.48 111.193 -176.227 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.89 -49.64 62.62 Favored 'General case' 0 C--O 1.257 1.449 0 O-C-N 126.111 2.132 . . . . 18.54 110.211 177.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 59.0 mt -59.94 -48.31 82.2 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 119.807 -1.808 . . . . 24.67 111.026 179.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 41.9 t -60.11 -50.1 81.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-N 114.799 -1.091 . . . . 21.27 108.783 -178.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 45.5 tpt85 -53.47 -36.44 61.64 Favored 'General case' 0 C--O 1.245 0.848 0 O-C-N 125.292 1.62 . . . . 24.16 113.545 178.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -83.17 -1.79 53.87 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 128.949 2.899 . . . . 35.2 114.252 179.328 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.73 33.05 74.96 Favored Glycine 0 N--CA 1.478 1.456 0 C-N-CA 119.116 -1.516 . . . . 26.42 109.579 -178.766 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.27 1.04 18.34 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-O 123.568 1.651 . . . . 25.42 113.464 178.723 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.408 ' HB2' HG22 ' A' ' 41' ' ' THR . . . -157.58 151.91 24.83 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 117.967 -2.958 . . . . 24.46 109.936 179.233 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.52 ' HE3' ' O ' ' A' ' 40' ' ' ASP . 2.2 mtmt -105.89 146.78 29.52 Favored 'General case' 0 C--O 1.246 0.903 0 N-CA-C 105.745 -1.946 . . . . 51.07 105.745 176.307 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 16.8 t -72.28 118.73 17.72 Favored 'Isoleucine or valine' 0 C--O 1.261 1.677 0 N-CA-C 103.254 -2.869 . . . . 29.16 103.254 175.614 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.446 ' HB3' ' HB2' ' A' ' 40' ' ' ASP . . . -146.48 175.69 10.37 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 126.158 2.161 . . . . 28.84 111.682 -176.615 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 52.23 50.84 17.54 Favored 'General case' 0 C--O 1.26 1.613 0 O-C-N 126.956 2.66 . . . . 39.01 110.408 176.253 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 25.0 t -84.53 102.81 11.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 C-N-CA 116.962 -1.895 . . . . 39.82 106.897 -177.205 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -113.1 113.39 25.35 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 106.823 -1.547 . . . . 39.98 106.823 179.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.58 ' HG3' ' O ' ' A' ' 156' ' ' HOH . 8.3 mttp -64.21 148.1 96.09 Favored Pre-proline 0 C--O 1.257 1.448 0 CA-C-O 116.442 -1.742 . . . . 54.94 109.957 178.48 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -91.74 22.72 28.29 Favored 'Cis proline' 0 C--O 1.251 1.152 0 O-C-N 123.852 1.449 . . . . 34.49 113.126 -0.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.425 ' OD1' ' HB3' ' A' ' 77' ' ' ASP . 21.1 m-20 -85.89 60.0 5.97 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 107.906 -1.146 . . . . 28.6 107.906 179.658 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -144.26 24.68 1.59 Allowed 'General case' 0 C--N 1.312 -1.038 0 O-C-N 125.179 1.549 . . . . 35.97 111.528 -172.529 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 91.0 m -53.67 -40.83 66.26 Favored 'General case' 0 CA--C 1.501 -0.922 0 C-N-CA 117.289 -1.764 . . . . 31.75 111.704 -178.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.744 ' O ' HD23 ' A' ' 125' ' ' LEU . 32.8 m-70 -96.95 9.06 43.05 Favored 'General case' 0 C--O 1.249 1.058 0 CA-C-O 115.49 -2.195 . . . . 28.82 114.273 -174.471 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -50.24 -47.93 54.81 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 117.586 2.439 . . . . 38.33 117.586 -179.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.4 -49.53 77.45 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-O 123.354 1.549 . . . . 52.45 110.522 178.782 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.44 ' NE2' ' HG3' ' A' ' 101' ' ' GLU . 43.4 t60 -51.61 -52.52 46.97 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 114.544 -1.207 . . . . 45.18 109.537 176.338 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.744 HD23 ' O ' ' A' ' 121' ' ' HIS . 16.7 mt -67.31 -37.17 82.93 Favored 'General case' 0 C--O 1.249 1.039 0 O-C-N 121.275 -0.891 . . . . 30.52 111.054 -179.314 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 64.3 mtt-85 -62.62 -40.09 95.86 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 119.723 -0.791 . . . . 46.78 109.254 -178.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -57.14 -48.66 78.13 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 124.068 1.889 . . . . 47.53 110.101 178.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 74.4 m -68.62 -34.24 75.42 Favored 'General case' 0 CA--C 1.506 -0.721 0 CA-C-O 117.652 -1.166 . . . . 25.21 108.99 -178.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -65.84 -45.05 83.65 Favored 'General case' 0 C--O 1.249 1.048 0 O-C-N 126.656 2.472 . . . . 36.23 111.993 178.989 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.728 ' O ' ' HE2' ' A' ' 134' ' ' LYS . . . -57.37 -42.59 82.38 Favored 'General case' 0 N--CA 1.48 1.048 0 O-C-N 126.238 2.211 . . . . 29.88 108.945 178.498 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 66.4 tp60 -60.63 -48.46 81.66 Favored 'General case' 0 C--O 1.25 1.099 0 O-C-N 125.19 1.556 . . . . 36.88 112.419 177.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.97 -32.75 74.39 Favored 'General case' 0 C--O 1.245 0.824 0 CA-C-O 122.989 1.376 . . . . 29.14 110.472 178.644 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.502 ' HB3' ' HE2' ' A' ' 134' ' ' LYS . 13.9 ttmm -69.35 -45.54 69.17 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 113.654 -1.612 . . . . 53.99 107.962 -179.229 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.728 ' HE2' ' O ' ' A' ' 130' ' ' ALA . 0.1 OUTLIER -62.17 -34.47 76.47 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 116.762 -1.589 . . . . 45.26 108.457 177.712 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -88.88 4.29 48.36 Favored 'General case' 0 C--O 1.259 1.593 0 N-CA-C 114.45 1.278 . . . . 32.61 114.45 178.168 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt 51.54 47.66 24.4 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 125.186 1.394 . . . . 49.8 111.878 178.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 35.5 mt -88.71 138.92 30.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 125.135 1.522 . . . . 34.74 111.959 -177.106 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 36.26 -105.5 0.04 OUTLIER 'General case' 0 C--N 1.305 -1.34 0 O-C-N 126.234 2.209 . . . . 37.38 111.377 175.427 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 8.4 mt -47.95 -33.83 4.01 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.207 0 C-N-CA 124.759 1.224 . . . . 42.06 109.783 179.016 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 56.9 m95 -94.73 14.57 20.82 Favored 'General case' 0 C--O 1.255 1.352 0 CA-C-O 117.395 -1.288 . . . . 42.94 112.458 -178.273 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 64.2 p . . . . . 0 C--O 1.262 1.753 0 O-C-N 124.316 1.01 . . . . 52.07 111.049 -177.148 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' THP . . . . . 0.429 ' O2P' ' NZ ' ' A' ' 84' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' HOH . . . . . 0.58 ' O ' ' HG3' ' A' ' 116' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 170' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 171' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 178' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 179' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 180' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 181' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 182' ' ' HOH . . . . . 0.892 ' O ' ' HD3' ' A' ' 64' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 183' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 184' ' ' HOH . . . . . 0.476 ' O ' ' HG2' ' A' ' 80' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 185' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 186' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 187' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 188' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 189' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 190' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 191' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 192' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_