data_1dqg_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 1dqg _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.9 t0 . . . . . 0 C--O 1.235 0.308 0 CA-C-O 116.641 -1.647 . . . . 58.01 111.417 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.17 -22.69 18.29 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 127.769 2.428 . . . . 47.09 111.632 179.637 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.78 -36.64 84.11 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 116.312 -1.804 . . . . 57.67 111.497 174.066 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -82.04 141.14 33.46 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 125.785 1.928 . . . . 38.0 109.592 -178.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -149.37 165.31 32.42 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 119.072 -1.051 . . . . 20.58 111.422 -178.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.0 mp -101.92 148.06 25.78 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 125.467 1.73 . . . . 18.64 107.003 174.038 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 83.3 mt -103.52 111.98 35.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 107.862 -1.162 . . . . 15.65 107.862 -176.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -114.41 133.78 55.47 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 124.796 1.31 . . . . 24.84 113.954 -166.055 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -106.93 114.09 27.96 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 128.237 3.46 . . . . 20.08 109.474 174.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -61.74 -47.09 86.78 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 118.928 -1.109 . . . . 38.97 111.913 -174.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -58.9 -43.96 91.14 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 117.042 -1.456 . . . . 27.34 113.188 -175.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -84.74 -15.32 45.48 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.937 1.088 . . . . 22.18 113.937 -179.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 94.2 mttt 54.55 47.96 21.53 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 122.267 1.032 . . . . 24.68 110.813 -172.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.0 mtp85 -138.8 162.0 35.84 Favored 'General case' 0 C--O 1.241 0.613 0 O-C-N 120.632 -1.293 . . . . 29.42 109.5 179.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.2 m -122.01 151.27 40.99 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.326 -0.852 . . . . 17.89 111.106 -176.309 -71.247 76.727 97.692 105.836 2.031 101.537 -90.9 -58.581 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.6 t -63.01 141.05 18.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 O-C-N 126.104 2.128 . . . . 15.49 111.163 177.472 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -139.72 114.19 9.18 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 108.758 -0.83 . . . . 22.5 108.758 -177.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.72 117.48 17.53 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 114.571 -1.195 . . . . 18.19 109.152 178.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 41.8 mt -101.07 -33.46 10.13 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 119.073 0.851 . . . . 23.31 113.131 179.102 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.7 p -164.92 177.17 8.05 Favored 'General case' 0 C--O 1.243 0.763 0 N-CA-C 109.092 -0.707 . . . . 20.16 109.092 177.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.55 -29.26 64.24 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 117.564 -1.654 . . . . 20.06 111.441 176.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.9 pt -107.15 15.44 7.51 Favored 'Isoleucine or valine' 0 C--O 1.244 0.791 0 CA-C-N 120.059 1.3 . . . . 19.61 112.353 -174.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.2 t -153.07 113.22 3.97 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 119.684 -1.885 . . . . 18.88 111.019 -173.455 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 83.0 t -127.58 112.32 27.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 105.09 -2.189 . . . . 16.62 105.09 176.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -122.89 -149.96 0.44 Allowed 'General case' 0 C--O 1.246 0.87 0 CA-C-O 116.545 -1.693 . . . . 21.08 108.449 -173.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 68.5 p -132.06 167.02 20.44 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 125.075 1.485 . . . . 19.47 107.843 177.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -157.24 165.44 35.89 Favored 'General case' 0 N--CA 1.45 -0.445 0 O-C-N 124.704 1.253 . . . . 19.79 108.523 177.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 55.4 m -57.91 129.22 40.91 Favored 'General case' 0 C--N 1.318 -0.804 0 O-C-N 125.551 1.782 . . . . 26.14 107.133 165.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 71.6 m -60.99 131.29 50.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 125.826 1.954 . . . . 19.8 110.989 -172.956 -58.581 -90.9 97.692 101.537 2.031 105.836 76.727 -71.247 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 58.0 t-20 -140.05 107.65 6.86 Favored Pre-proline 0 N--CA 1.469 0.489 0 N-CA-C 106.712 -1.588 . . . . 22.39 106.712 175.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -67.05 -8.28 21.31 Favored 'Trans proline' 0 C--N 1.316 -1.157 0 O-C-N 122.9 0.947 . . . . 25.17 112.101 -177.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -89.13 -12.21 41.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 119.415 1.007 . . . . 24.74 111.744 178.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.53 114.28 22.42 Favored 'General case' 0 C--O 1.25 1.08 0 O-C-N 124.702 1.251 . . . . 21.75 110.518 -174.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -60.4 -32.72 71.6 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 119.395 -0.922 . . . . 35.23 111.019 -178.634 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 88.9 p -63.1 -23.27 67.37 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-O 115.585 -2.15 . . . . 21.61 110.717 -179.15 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -91.92 0.08 57.48 Favored 'General case' 0 C--O 1.247 0.936 0 CA-C-N 120.432 1.469 . . . . 17.64 112.524 178.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -96.47 133.92 40.31 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 119.736 -1.852 . . . . 30.05 112.18 -174.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -128.85 163.85 24.34 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.753 0.787 . . . . 19.62 110.762 177.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -154.1 143.43 21.42 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.596 -0.89 . . . . 49.34 108.596 174.953 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -70.95 132.96 45.98 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 126.307 2.255 . . . . 22.46 109.664 174.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.3 m -116.05 4.45 7.47 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 C-N-CA 120.172 -0.611 . . . . 28.31 110.189 179.467 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 52.8 p -167.54 -176.71 3.28 Favored 'General case' 0 C--O 1.219 -0.521 0 C-N-CA 125.306 1.443 . . . . 25.59 108.897 175.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 48.2 p30 -66.06 -16.72 64.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 116.08 -1.914 . . . . 39.45 112.287 176.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 80.5 p -129.44 -8.85 4.66 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 115.128 1.529 . . . . 26.62 115.128 -173.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -113.63 138.85 49.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 119.629 1.104 . . . . 25.69 112.413 -171.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 60.2 mt -118.36 123.14 71.13 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 N-CA-C 108.66 -0.867 . . . . 18.87 108.66 178.432 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 62.3 ttp -101.28 136.28 41.39 Favored 'General case' 0 N--CA 1.448 -0.529 0 O-C-N 125.839 1.962 . . . . 25.68 110.79 -176.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.3 t -68.4 124.59 23.94 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 117.845 -1.074 . . . . 19.77 110.386 167.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.2 t -65.43 -41.92 92.23 Favored 'Isoleucine or valine' 0 C--O 1.255 1.347 0 CA-C-N 119.053 0.842 . . . . 23.21 111.585 179.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.86 -32.07 72.33 Favored 'General case' 0 C--O 1.247 0.959 0 O-C-N 120.962 -1.086 . . . . 25.67 113.8 -179.419 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -106.31 -16.35 14.59 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.832 1.196 . . . . 25.74 113.583 -174.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.7 mttt 54.39 41.89 31.72 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 120.021 -0.672 . . . . 32.35 109.651 -176.324 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 57.7 mt -130.99 154.37 48.24 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 126.918 2.087 . . . . 21.15 111.395 172.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 21.0 m -102.89 143.08 32.96 Favored 'General case' 0 C--O 1.247 0.967 0 C-N-CA 123.546 0.738 . . . . 20.76 112.011 -172.073 -80.329 78.004 99.204 105.587 2.043 104.437 -81.827 -63.708 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 75.5 mt -64.82 133.31 51.69 Favored 'General case' 0 CA--C 1.514 -0.434 0 O-C-N 125.127 1.517 . . . . 17.04 109.21 178.637 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -164.83 178.33 40.01 Favored Glycine 0 C--O 1.245 0.806 0 C-N-CA 119.445 -1.359 . . . . 17.42 111.425 -177.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 23.7 m -134.28 158.39 75.35 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 125.329 1.253 . . . . 20.23 110.477 -176.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -71.83 -22.62 23.35 Favored 'Trans proline' 0 C--O 1.245 0.862 0 C-N-CA 122.053 1.835 . . . . 25.55 113.257 175.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.1 p -169.55 159.92 8.71 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 109.275 -0.639 . . . . 26.62 109.275 179.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -86.28 74.71 9.95 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 125.344 1.652 . . . . 36.68 108.76 178.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 73.7 p -135.25 148.11 49.48 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 125.975 2.047 . . . . 27.42 111.916 -178.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -52.68 131.51 34.79 Favored 'General case' 0 C--O 1.236 0.38 0 O-C-N 121.255 -0.903 . . . . 25.27 109.24 177.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 2.5 t-105 71.08 18.79 5.76 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 126.316 1.847 . . . . 19.82 112.09 175.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.09 139.5 57.55 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 118.148 -2.845 . . . . 18.97 109.993 165.191 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.2 m -77.87 136.23 38.02 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 109.272 -0.64 . . . . 18.84 109.272 179.295 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.0 t -90.98 114.92 29.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 O-C-N 125.129 1.518 . . . . 15.1 107.723 172.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 67.2 p -134.87 -150.6 0.4 Allowed 'General case' 0 C--O 1.243 0.711 0 O-C-N 120.524 -1.36 . . . . 19.89 108.95 176.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.4 mt -123.32 134.35 54.05 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 119.812 -1.805 . . . . 19.41 112.356 -168.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -131.86 153.21 50.44 Favored 'General case' 0 C--O 1.248 0.993 0 C-N-CA 124.75 1.22 . . . . 21.82 111.571 -176.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.33 129.44 18.5 Favored 'General case' 0 C--O 1.249 1.075 0 C-N-CA 119.686 -0.806 . . . . 24.31 110.836 173.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 77.4 m -64.08 128.0 33.87 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 119.822 -0.751 . . . . 27.38 110.414 -176.233 -63.708 -81.827 99.204 104.437 2.043 105.587 78.004 -80.329 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -145.75 109.79 4.9 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.176 -0.952 . . . . 33.39 110.611 -175.55 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.9 p -65.04 -12.17 47.46 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 123.481 0.488 . . . . 36.66 112.234 -174.076 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.8 mttt -98.83 -4.76 32.44 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 117.803 -1.559 . . . . 41.09 111.499 -178.666 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.2 t -80.47 126.52 31.31 Favored 'General case' 0 C--O 1.22 -0.49 0 C-N-CA 119.003 -1.079 . . . . 32.64 110.188 -178.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -83.76 0.53 46.9 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 117.443 -1.703 . . . . 45.35 109.453 178.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -100.68 11.02 40.4 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-N 120.041 1.291 . . . . 36.83 113.59 -177.064 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -135.04 26.52 3.57 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 123.14 0.576 . . . . 24.09 109.916 176.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -105.84 124.07 48.97 Favored 'General case' 0 C--O 1.244 0.813 0 CA-C-N 114.85 -1.068 . . . . 32.0 108.613 179.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 56.7 m95 -118.11 159.68 22.83 Favored 'General case' 0 C--O 1.247 0.953 0 C-N-CA 125.457 1.503 . . . . 20.55 112.889 -178.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -150.6 155.78 40.08 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 124.997 1.436 . . . . 28.67 111.295 174.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 97.5 m -81.95 139.27 34.69 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 118.082 -1.447 . . . . 24.5 107.721 171.301 -69.186 93.818 102.408 103.163 2.048 103.722 89.659 -60.042 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 15.8 mmtt -105.01 -150.31 0.43 Allowed 'General case' 0 C--O 1.238 0.492 0 N-CA-C 106.581 -1.637 . . . . 31.24 106.581 174.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -89.7 165.59 14.11 Favored 'General case' 0 N--CA 1.486 1.328 1 C-N-CA 111.424 -4.11 . . . . 34.78 113.33 -179.168 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 40.49 51.66 2.92 Favored 'General case' 0 C--O 1.248 0.974 0 C-N-CA 126.054 1.742 . . . . 32.09 115.07 170.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 43.0 p 75.09 3.34 4.11 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 129.751 3.221 . . . . 25.8 110.888 175.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 39.5 tp -64.12 135.89 56.76 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 118.306 -1.358 . . . . 26.76 111.206 172.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -133.96 135.9 43.81 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 117.438 -1.268 . . . . 19.51 109.294 -170.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -167.46 -176.58 38.33 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 119.186 -1.483 . . . . 19.45 114.645 -175.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.8 mm -62.88 138.63 22.52 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 CA-C-N 113.972 -1.114 . . . . 24.36 110.544 179.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -64.59 125.12 23.72 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 120.63 -1.294 . . . . 36.38 110.351 -179.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.16 3.26 90.7 Favored Glycine 0 C--O 1.239 0.439 0 N-CA-C 116.279 1.272 . . . . 28.51 116.279 175.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.1 m -134.87 141.14 46.28 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 120.182 1.991 . . . . 31.98 111.263 179.352 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -85.21 62.51 7.54 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 120.567 -1.333 . . . . 34.07 110.17 179.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 78.6 mt -129.7 130.13 45.11 Favored 'General case' 0 C--O 1.25 1.115 0 N-CA-C 106.276 -1.75 . . . . 22.07 106.276 172.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -111.65 145.65 38.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 127.778 3.174 . . . . 32.62 113.394 -169.405 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -64.03 115.16 4.65 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 112.907 -1.952 . . . . 16.51 108.697 171.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -137.68 145.0 42.09 Favored 'General case' 0 C--O 1.25 1.116 0 N-CA-C 113.015 0.746 . . . . 18.5 113.015 -164.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -144.08 137.4 27.54 Favored 'General case' 0 C--O 1.25 1.109 0 CA-C-N 114.752 -1.113 . . . . 27.06 111.776 174.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 131.47 -21.18 4.56 Favored Glycine 0 N--CA 1.477 1.375 0 C-N-CA 118.402 -1.856 . . . . 22.19 111.887 170.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -84.5 150.48 25.23 Favored 'General case' 0 C--O 1.242 0.674 0 O-C-N 120.496 -1.591 . . . . 24.85 111.47 -175.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 49.31 34.78 6.72 Favored 'General case' 0 C--O 1.251 1.182 0 N-CA-C 118.745 2.868 . . . . 32.18 118.745 173.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 56.5 mm-40 58.82 14.45 3.26 Favored 'General case' 0 C--N 1.318 -0.77 0 O-C-N 118.996 -2.315 . . . . 32.22 114.457 -179.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -81.36 121.12 25.83 Favored 'General case' 0 C--O 1.243 0.718 0 O-C-N 120.73 -1.231 . . . . 24.11 112.468 -179.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -76.84 -27.18 55.02 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 120.76 -1.212 . . . . 37.22 113.78 -177.259 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -82.13 144.53 30.69 Favored 'General case' 0 C--O 1.241 0.657 0 O-C-N 120.945 -1.097 . . . . 17.93 111.222 -176.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 48.7 mm -53.55 137.73 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 CA-C-O 123.29 1.519 . . . . 16.44 110.243 169.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -125.99 154.24 43.2 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 118.891 -2.38 . . . . 19.56 111.968 178.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 20.4 mt -74.16 136.88 42.87 Favored 'General case' 0 C--O 1.245 0.856 0 N-CA-C 107.973 -1.121 . . . . 20.81 107.973 159.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -141.58 147.25 37.37 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-O 121.671 0.748 . . . . 26.43 109.425 178.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -73.95 -23.87 59.57 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 123.979 1.847 . . . . 36.54 111.838 177.402 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -75.71 150.18 39.33 Favored Glycine 0 C--O 1.239 0.44 0 C-N-CA 118.307 -1.901 . . . . 22.43 112.391 -175.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 70.8 p -125.24 30.29 5.86 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 122.153 0.978 . . . . 25.04 111.666 -173.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -78.26 -153.23 6.46 Favored Glycine 0 C--O 1.249 1.077 0 CA-C-O 123.54 1.633 . . . . 21.29 114.874 176.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 95.4 mt -66.7 -21.43 66.08 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 114.519 1.303 . . . . 29.28 114.519 -174.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 51.2 m0 -88.04 -3.82 58.86 Favored 'General case' 0 C--O 1.255 1.344 0 O-C-N 121.57 -0.706 . . . . 24.03 112.702 -176.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 58.3 m -109.87 9.28 24.58 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.011 0.924 . . . . 17.41 111.87 177.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 62.6 mtt-85 -109.33 129.55 55.52 Favored 'General case' 0 C--O 1.246 0.895 0 CA-C-N 112.794 -2.003 . . . . 34.55 112.849 -177.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -141.08 136.38 31.91 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 120.164 -1.585 . . . . 18.38 109.73 -166.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -118.63 160.2 22.24 Favored 'General case' 0 C--O 1.248 0.982 0 CA-C-O 119.021 -0.514 . . . . 35.53 111.662 177.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 79.7 t -65.41 120.21 11.83 Favored 'Isoleucine or valine' 0 C--O 1.251 1.143 0 O-C-N 126.563 2.414 . . . . 19.72 106.46 166.209 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -55.14 130.98 44.11 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.516 0.674 . . . . 29.33 111.456 179.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 89.49 8.1 68.47 Favored Glycine 0 C--O 1.242 0.599 0 CA-C-N 115.348 -0.842 . . . . 27.72 114.076 -178.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 15.3 p -140.97 170.2 16.17 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 126.169 1.787 . . . . 25.36 109.511 -179.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 35.1 p -105.64 18.45 22.17 Favored 'General case' 0 C--O 1.221 -0.409 0 C-N-CA 117.775 -1.57 . . . . 31.62 110.06 172.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -97.45 154.89 17.19 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 114.826 1.417 . . . . 30.78 114.826 -175.481 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 27.1 p30 -72.1 172.57 9.88 Favored 'General case' 0 C--O 1.243 0.719 0 O-C-N 125.306 1.628 . . . . 24.32 111.192 179.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 45.8 mt -68.18 -23.68 64.88 Favored 'General case' 0 C--O 1.247 0.925 0 O-C-N 118.755 -2.466 . . . . 19.16 113.215 -174.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 82.7 m -74.89 -3.76 33.94 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 119.413 -0.915 . . . . 21.38 111.99 -176.456 -60.042 89.659 102.408 103.722 2.048 103.163 93.818 -69.186 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 84.2 p -71.85 -10.87 60.41 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 122.602 1.191 . . . . 21.4 111.163 174.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 23.2 mmt85 -112.67 15.4 19.99 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 117.096 -1.842 . . . . 34.75 111.237 175.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -112.45 -152.98 11.71 Favored Glycine 0 N--CA 1.47 0.902 0 O-C-N 119.399 -2.063 . . . . 31.85 112.628 -173.817 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -119.45 161.06 21.17 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 117.091 0.446 . . . . 51.65 111.282 -174.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 . . . . . 0 C--O 1.24 0.583 0 C-N-CA 119.712 -0.795 . . . . 72.68 109.952 -178.55 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.9 t0 . . . . . 0 C--O 1.235 0.308 0 CA-C-O 116.641 -1.647 . . . . 58.01 111.417 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.17 -22.69 18.29 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 127.769 2.428 . . . . 47.09 111.632 179.637 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.78 -36.64 84.11 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 116.312 -1.804 . . . . 57.67 111.497 174.066 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -82.04 141.14 33.46 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 125.785 1.928 . . . . 38.0 109.592 -178.91 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -149.37 165.31 32.42 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 119.072 -1.051 . . . . 20.58 111.422 -178.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.0 mp -101.92 148.06 25.78 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 125.467 1.73 . . . . 18.64 107.003 174.038 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 83.3 mt -103.52 111.98 35.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 107.862 -1.162 . . . . 15.65 107.862 -176.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -114.41 133.78 55.47 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 124.796 1.31 . . . . 24.84 113.954 -166.055 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -106.93 114.09 27.96 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 128.237 3.46 . . . . 20.08 109.474 174.457 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -61.74 -47.09 86.78 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 118.928 -1.109 . . . . 38.97 111.913 -174.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -58.9 -43.96 91.14 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 117.042 -1.456 . . . . 27.34 113.188 -175.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -84.74 -15.32 45.48 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.937 1.088 . . . . 22.18 113.937 -179.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 94.2 mttt 54.55 47.96 21.53 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 122.267 1.032 . . . . 24.68 110.813 -172.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.0 mtp85 -138.8 162.0 35.84 Favored 'General case' 0 C--O 1.241 0.613 0 O-C-N 120.632 -1.293 . . . . 29.42 109.5 179.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.2 m -122.01 151.27 40.99 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.326 -0.852 . . . . 17.89 111.106 -176.309 -71.247 76.727 97.692 105.836 2.031 101.537 -90.9 -58.581 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.6 t -63.01 141.05 18.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 O-C-N 126.104 2.128 . . . . 15.49 111.163 177.472 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -139.72 114.19 9.18 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 108.758 -0.83 . . . . 22.5 108.758 -177.123 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.72 117.48 17.53 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 114.571 -1.195 . . . . 18.19 109.152 178.487 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 41.8 mt -101.07 -33.46 10.13 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 119.073 0.851 . . . . 23.31 113.131 179.102 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.7 p -164.92 177.17 8.05 Favored 'General case' 0 C--O 1.243 0.763 0 N-CA-C 109.092 -0.707 . . . . 20.16 109.092 177.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.55 -29.26 64.24 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 117.564 -1.654 . . . . 20.06 111.441 176.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.9 pt -107.15 15.44 7.51 Favored 'Isoleucine or valine' 0 C--O 1.244 0.791 0 CA-C-N 120.059 1.3 . . . . 19.61 112.353 -174.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.2 t -153.07 113.22 3.97 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 119.684 -1.885 . . . . 18.88 111.019 -173.455 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 83.0 t -127.58 112.32 27.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 105.09 -2.189 . . . . 16.62 105.09 176.276 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -122.89 -149.96 0.44 Allowed 'General case' 0 C--O 1.246 0.87 0 CA-C-O 116.545 -1.693 . . . . 21.08 108.449 -173.015 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 68.5 p -132.06 167.02 20.44 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 125.075 1.485 . . . . 19.47 107.843 177.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -157.24 165.44 35.89 Favored 'General case' 0 N--CA 1.45 -0.445 0 O-C-N 124.704 1.253 . . . . 19.79 108.523 177.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 55.4 m -57.91 129.22 40.91 Favored 'General case' 0 C--N 1.318 -0.804 0 O-C-N 125.551 1.782 . . . . 26.14 107.133 165.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 71.6 m -60.99 131.29 50.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 125.826 1.954 . . . . 19.8 110.989 -172.956 -58.581 -90.9 97.692 101.537 2.031 105.836 76.727 -71.247 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 58.0 t-20 -140.05 107.65 6.86 Favored Pre-proline 0 N--CA 1.469 0.489 0 N-CA-C 106.712 -1.588 . . . . 22.39 106.712 175.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -67.05 -8.28 21.31 Favored 'Trans proline' 0 C--N 1.316 -1.157 0 O-C-N 122.9 0.947 . . . . 25.17 112.101 -177.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -89.13 -12.21 41.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 119.415 1.007 . . . . 24.74 111.744 178.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.53 114.28 22.42 Favored 'General case' 0 C--O 1.25 1.08 0 O-C-N 124.702 1.251 . . . . 21.75 110.518 -174.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -60.4 -32.72 71.6 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 119.395 -0.922 . . . . 35.23 111.019 -178.634 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 88.9 p -63.1 -23.27 67.37 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-O 115.585 -2.15 . . . . 21.61 110.717 -179.15 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -91.92 0.08 57.48 Favored 'General case' 0 C--O 1.247 0.936 0 CA-C-N 120.432 1.469 . . . . 17.64 112.524 178.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -96.47 133.92 40.31 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 119.736 -1.852 . . . . 30.05 112.18 -174.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -128.85 163.85 24.34 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.753 0.787 . . . . 19.62 110.762 177.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -154.1 143.43 21.42 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.596 -0.89 . . . . 49.34 108.596 174.953 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -70.95 132.96 45.98 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 126.307 2.255 . . . . 22.46 109.664 174.242 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.3 m -116.05 4.45 7.47 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 C-N-CA 120.172 -0.611 . . . . 28.31 110.189 179.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 52.8 p -167.54 -176.71 3.28 Favored 'General case' 0 C--O 1.219 -0.521 0 C-N-CA 125.306 1.443 . . . . 25.59 108.897 175.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 48.2 p30 -66.06 -16.72 64.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 116.08 -1.914 . . . . 39.45 112.287 176.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 80.5 p -129.44 -8.85 4.66 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 115.128 1.529 . . . . 26.62 115.128 -173.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -113.63 138.85 49.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 119.629 1.104 . . . . 25.69 112.413 -171.407 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 60.2 mt -118.36 123.14 71.13 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 N-CA-C 108.66 -0.867 . . . . 18.87 108.66 178.432 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 62.3 ttp -101.28 136.28 41.39 Favored 'General case' 0 N--CA 1.448 -0.529 0 O-C-N 125.839 1.962 . . . . 25.68 110.79 -176.272 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.3 t -68.4 124.59 23.94 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 117.845 -1.074 . . . . 19.77 110.386 167.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.2 t -65.43 -41.92 92.23 Favored 'Isoleucine or valine' 0 C--O 1.255 1.347 0 CA-C-N 119.053 0.842 . . . . 23.21 111.585 179.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.86 -32.07 72.33 Favored 'General case' 0 C--O 1.247 0.959 0 O-C-N 120.962 -1.086 . . . . 25.67 113.8 -179.419 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -106.31 -16.35 14.59 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.832 1.196 . . . . 25.74 113.583 -174.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.7 mttt 54.39 41.89 31.72 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 120.021 -0.672 . . . . 32.35 109.651 -176.324 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 57.7 mt -130.99 154.37 48.24 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 126.918 2.087 . . . . 21.15 111.395 172.464 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 21.0 m -102.89 143.08 32.96 Favored 'General case' 0 C--O 1.247 0.967 0 C-N-CA 123.546 0.738 . . . . 20.76 112.011 -172.073 -80.329 78.004 99.204 105.587 2.043 104.437 -81.827 -63.708 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 75.5 mt -64.82 133.31 51.69 Favored 'General case' 0 CA--C 1.514 -0.434 0 O-C-N 125.127 1.517 . . . . 17.04 109.21 178.637 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -164.83 178.33 40.01 Favored Glycine 0 C--O 1.245 0.806 0 C-N-CA 119.445 -1.359 . . . . 17.42 111.425 -177.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 23.7 m -134.28 158.39 75.35 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 125.329 1.253 . . . . 20.23 110.477 -176.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -71.83 -22.62 23.35 Favored 'Trans proline' 0 C--O 1.245 0.862 0 C-N-CA 122.053 1.835 . . . . 25.55 113.257 175.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.1 p -169.55 159.92 8.71 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 109.275 -0.639 . . . . 26.62 109.275 179.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -86.28 74.71 9.95 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 125.344 1.652 . . . . 36.68 108.76 178.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 73.7 p -135.25 148.11 49.48 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 125.975 2.047 . . . . 27.42 111.916 -178.315 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -52.68 131.51 34.79 Favored 'General case' 0 C--O 1.236 0.38 0 O-C-N 121.255 -0.903 . . . . 25.27 109.24 177.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 2.5 t-105 71.08 18.79 5.76 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 126.316 1.847 . . . . 19.82 112.09 175.766 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.09 139.5 57.55 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 118.148 -2.845 . . . . 18.97 109.993 165.191 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.2 m -77.87 136.23 38.02 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 109.272 -0.64 . . . . 18.84 109.272 179.295 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.0 t -90.98 114.92 29.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 O-C-N 125.129 1.518 . . . . 15.1 107.723 172.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 67.2 p -134.87 -150.6 0.4 Allowed 'General case' 0 C--O 1.243 0.711 0 O-C-N 120.524 -1.36 . . . . 19.89 108.95 176.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.4 mt -123.32 134.35 54.05 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 119.812 -1.805 . . . . 19.41 112.356 -168.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -131.86 153.21 50.44 Favored 'General case' 0 C--O 1.248 0.993 0 C-N-CA 124.75 1.22 . . . . 21.82 111.571 -176.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.33 129.44 18.5 Favored 'General case' 0 C--O 1.249 1.075 0 C-N-CA 119.686 -0.806 . . . . 24.31 110.836 173.403 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 77.4 m -64.08 128.0 33.87 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 119.822 -0.751 . . . . 27.38 110.414 -176.233 -63.708 -81.827 99.204 104.437 2.043 105.587 78.004 -80.329 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -145.75 109.79 4.9 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.176 -0.952 . . . . 33.39 110.611 -175.55 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.9 p -65.04 -12.17 47.46 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 123.481 0.488 . . . . 36.66 112.234 -174.076 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.8 mttt -98.83 -4.76 32.44 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 117.803 -1.559 . . . . 41.09 111.499 -178.666 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.2 t -80.47 126.52 31.31 Favored 'General case' 0 C--O 1.22 -0.49 0 C-N-CA 119.003 -1.079 . . . . 32.64 110.188 -178.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -83.76 0.53 46.9 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 117.443 -1.703 . . . . 45.35 109.453 178.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -100.68 11.02 40.4 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-N 120.041 1.291 . . . . 36.83 113.59 -177.064 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -135.04 26.52 3.57 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 123.14 0.576 . . . . 24.09 109.916 176.644 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -105.84 124.07 48.97 Favored 'General case' 0 C--O 1.244 0.813 0 CA-C-N 114.85 -1.068 . . . . 32.0 108.613 179.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 56.7 m95 -118.11 159.68 22.83 Favored 'General case' 0 C--O 1.247 0.953 0 C-N-CA 125.457 1.503 . . . . 20.55 112.889 -178.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -150.6 155.78 40.08 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 124.997 1.436 . . . . 28.67 111.295 174.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 97.5 m -81.95 139.27 34.69 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 118.082 -1.447 . . . . 24.5 107.721 171.301 -69.186 93.818 102.408 103.163 2.048 103.722 89.659 -60.042 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 15.8 mmtt -105.01 -150.31 0.43 Allowed 'General case' 0 C--O 1.238 0.492 0 N-CA-C 106.581 -1.637 . . . . 31.24 106.581 174.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -89.7 165.59 14.11 Favored 'General case' 0 N--CA 1.486 1.328 1 C-N-CA 111.424 -4.11 . . . . 34.78 113.33 -179.168 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 40.49 51.66 2.92 Favored 'General case' 0 C--O 1.248 0.974 0 C-N-CA 126.054 1.742 . . . . 32.09 115.07 170.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 43.0 p 75.09 3.34 4.11 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 129.751 3.221 . . . . 25.8 110.888 175.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' LEU . . . . . 0.403 HD21 ' CE2' ' A' ' 97' ' ' TYR . 39.5 tp -64.12 135.89 56.76 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 118.306 -1.358 . . . . 26.76 111.206 172.532 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -133.96 135.9 43.81 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 117.438 -1.268 . . . . 19.51 109.294 -170.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -167.46 -176.58 38.33 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 119.186 -1.483 . . . . 19.45 114.645 -175.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.8 mm -62.88 138.63 22.52 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 CA-C-N 113.972 -1.114 . . . . 24.36 110.544 179.598 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -64.59 125.12 23.72 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 120.63 -1.294 . . . . 36.38 110.351 -179.571 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.16 3.26 90.7 Favored Glycine 0 C--O 1.239 0.439 0 N-CA-C 116.279 1.272 . . . . 28.51 116.279 175.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.1 m -134.87 141.14 46.28 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 120.182 1.991 . . . . 31.98 111.263 179.352 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -85.21 62.51 7.54 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 120.567 -1.333 . . . . 34.07 110.17 179.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 78.6 mt -129.7 130.13 45.11 Favored 'General case' 0 C--O 1.25 1.115 0 N-CA-C 106.276 -1.75 . . . . 22.07 106.276 172.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' TYR . . . . . 0.403 ' CE2' HD21 ' A' ' 88' ' ' LEU . 48.6 m-85 -111.65 145.65 38.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 127.778 3.174 . . . . 32.62 113.394 -169.405 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -64.03 115.16 4.65 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 112.907 -1.952 . . . . 16.51 108.697 171.4 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -137.68 145.0 42.09 Favored 'General case' 0 C--O 1.25 1.116 0 N-CA-C 113.015 0.746 . . . . 18.5 113.015 -164.34 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -144.08 137.4 27.54 Favored 'General case' 0 C--O 1.25 1.109 0 CA-C-N 114.752 -1.113 . . . . 27.06 111.776 174.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 131.47 -21.18 4.56 Favored Glycine 0 N--CA 1.477 1.375 0 C-N-CA 118.402 -1.856 . . . . 22.19 111.887 170.571 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -84.5 150.48 25.23 Favored 'General case' 0 C--O 1.242 0.674 0 O-C-N 120.496 -1.591 . . . . 24.85 111.47 -175.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 49.31 34.78 6.72 Favored 'General case' 0 C--O 1.251 1.182 0 N-CA-C 118.745 2.868 . . . . 32.18 118.745 173.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 56.5 mm-40 58.82 14.45 3.26 Favored 'General case' 0 C--N 1.318 -0.77 0 O-C-N 118.996 -2.315 . . . . 32.22 114.457 -179.536 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -81.36 121.12 25.83 Favored 'General case' 0 C--O 1.243 0.718 0 O-C-N 120.73 -1.231 . . . . 24.11 112.468 -179.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -76.84 -27.18 55.02 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 120.76 -1.212 . . . . 37.22 113.78 -177.259 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -82.13 144.53 30.69 Favored 'General case' 0 C--O 1.241 0.657 0 O-C-N 120.945 -1.097 . . . . 17.93 111.222 -176.113 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 48.7 mm -53.55 137.73 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 CA-C-O 123.29 1.519 . . . . 16.44 110.243 169.06 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -125.99 154.24 43.2 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 118.891 -2.38 . . . . 19.56 111.968 178.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 20.4 mt -74.16 136.88 42.87 Favored 'General case' 0 C--O 1.245 0.856 0 N-CA-C 107.973 -1.121 . . . . 20.81 107.973 159.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -141.58 147.25 37.37 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-O 121.671 0.748 . . . . 26.43 109.425 178.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -73.95 -23.87 59.57 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 123.979 1.847 . . . . 36.54 111.838 177.402 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -75.71 150.18 39.33 Favored Glycine 0 C--O 1.239 0.44 0 C-N-CA 118.307 -1.901 . . . . 22.43 112.391 -175.309 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 70.8 p -125.24 30.29 5.86 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 122.153 0.978 . . . . 25.04 111.666 -173.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -78.26 -153.23 6.46 Favored Glycine 0 C--O 1.249 1.077 0 CA-C-O 123.54 1.633 . . . . 21.29 114.874 176.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 95.4 mt -66.7 -21.43 66.08 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 114.519 1.303 . . . . 29.28 114.519 -174.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 51.2 m0 -88.04 -3.82 58.86 Favored 'General case' 0 C--O 1.255 1.344 0 O-C-N 121.57 -0.706 . . . . 24.03 112.702 -176.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 58.3 m -109.87 9.28 24.58 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.011 0.924 . . . . 17.41 111.87 177.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 62.6 mtt-85 -109.33 129.55 55.52 Favored 'General case' 0 C--O 1.246 0.895 0 CA-C-N 112.794 -2.003 . . . . 34.55 112.849 -177.618 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -141.08 136.38 31.91 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 120.164 -1.585 . . . . 18.38 109.73 -166.633 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -118.63 160.2 22.24 Favored 'General case' 0 C--O 1.248 0.982 0 CA-C-O 119.021 -0.514 . . . . 35.53 111.662 177.188 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 79.7 t -65.41 120.21 11.83 Favored 'Isoleucine or valine' 0 C--O 1.251 1.143 0 O-C-N 126.563 2.414 . . . . 19.72 106.46 166.209 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -55.14 130.98 44.11 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.516 0.674 . . . . 29.33 111.456 179.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 89.49 8.1 68.47 Favored Glycine 0 C--O 1.242 0.599 0 CA-C-N 115.348 -0.842 . . . . 27.72 114.076 -178.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 15.3 p -140.97 170.2 16.17 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 126.169 1.787 . . . . 25.36 109.511 -179.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 35.1 p -105.64 18.45 22.17 Favored 'General case' 0 C--O 1.221 -0.409 0 C-N-CA 117.775 -1.57 . . . . 31.62 110.06 172.814 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -97.45 154.89 17.19 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 114.826 1.417 . . . . 30.78 114.826 -175.481 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 27.1 p30 -72.1 172.57 9.88 Favored 'General case' 0 C--O 1.243 0.719 0 O-C-N 125.306 1.628 . . . . 24.32 111.192 179.957 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 45.8 mt -68.18 -23.68 64.88 Favored 'General case' 0 C--O 1.247 0.925 0 O-C-N 118.755 -2.466 . . . . 19.16 113.215 -174.532 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 82.7 m -74.89 -3.76 33.94 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 119.413 -0.915 . . . . 21.38 111.99 -176.456 -60.042 89.659 102.408 103.722 2.048 103.163 93.818 -69.186 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 84.2 p -71.85 -10.87 60.41 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 122.602 1.191 . . . . 21.4 111.163 174.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 23.2 mmt85 -112.67 15.4 19.99 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 117.096 -1.842 . . . . 34.75 111.237 175.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -112.45 -152.98 11.71 Favored Glycine 0 N--CA 1.47 0.902 0 O-C-N 119.399 -2.063 . . . . 31.85 112.628 -173.817 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' TYR . . . . . 0.422 ' O ' ' HB2' ' A' ' 135' ' ' GLU . 84.8 m-85 -119.45 161.06 21.17 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 117.091 0.446 . . . . 51.65 111.282 -174.706 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 135' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 134' ' ' TYR . 85.3 mt-10 . . . . . 0 C--O 1.24 0.583 0 C-N-CA 119.712 -0.795 . . . . 72.68 109.952 -178.55 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 136' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.9 t0 . . . . . 0 C--O 1.235 0.308 0 CA-C-O 116.641 -1.647 . . . . 58.01 111.417 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.17 -22.69 18.29 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 127.769 2.428 . . . . 47.09 111.632 179.637 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.78 -36.64 84.11 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 116.312 -1.804 . . . . 57.67 111.497 174.066 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -82.04 141.14 33.46 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 125.785 1.928 . . . . 38.0 109.592 -178.91 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -149.37 165.31 32.42 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 119.072 -1.051 . . . . 20.58 111.422 -178.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.0 mp -101.92 148.06 25.78 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 125.467 1.73 . . . . 18.64 107.003 174.038 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 83.3 mt -103.52 111.98 35.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 107.862 -1.162 . . . . 15.65 107.862 -176.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -114.41 133.78 55.47 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 124.796 1.31 . . . . 24.84 113.954 -166.055 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -106.93 114.09 27.96 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 128.237 3.46 . . . . 20.08 109.474 174.457 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -61.74 -47.09 86.78 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 118.928 -1.109 . . . . 38.97 111.913 -174.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -58.9 -43.96 91.14 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 117.042 -1.456 . . . . 27.34 113.188 -175.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -84.74 -15.32 45.48 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.937 1.088 . . . . 22.18 113.937 -179.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 94.2 mttt 54.55 47.96 21.53 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 122.267 1.032 . . . . 24.68 110.813 -172.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.0 mtp85 -138.8 162.0 35.84 Favored 'General case' 0 C--O 1.241 0.613 0 O-C-N 120.632 -1.293 . . . . 29.42 109.5 179.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.2 m -122.01 151.27 40.99 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.326 -0.852 . . . . 17.89 111.106 -176.309 -71.247 76.727 97.692 105.836 2.031 101.537 -90.9 -58.581 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.6 t -63.01 141.05 18.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 O-C-N 126.104 2.128 . . . . 15.49 111.163 177.472 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -139.72 114.19 9.18 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 108.758 -0.83 . . . . 22.5 108.758 -177.123 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.72 117.48 17.53 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 114.571 -1.195 . . . . 18.19 109.152 178.487 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 41.8 mt -101.07 -33.46 10.13 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 119.073 0.851 . . . . 23.31 113.131 179.102 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.7 p -164.92 177.17 8.05 Favored 'General case' 0 C--O 1.243 0.763 0 N-CA-C 109.092 -0.707 . . . . 20.16 109.092 177.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.55 -29.26 64.24 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 117.564 -1.654 . . . . 20.06 111.441 176.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.9 pt -107.15 15.44 7.51 Favored 'Isoleucine or valine' 0 C--O 1.244 0.791 0 CA-C-N 120.059 1.3 . . . . 19.61 112.353 -174.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.2 t -153.07 113.22 3.97 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 119.684 -1.885 . . . . 18.88 111.019 -173.455 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 83.0 t -127.58 112.32 27.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 105.09 -2.189 . . . . 16.62 105.09 176.276 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -122.89 -149.96 0.44 Allowed 'General case' 0 C--O 1.246 0.87 0 CA-C-O 116.545 -1.693 . . . . 21.08 108.449 -173.015 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 68.5 p -132.06 167.02 20.44 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 125.075 1.485 . . . . 19.47 107.843 177.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -157.24 165.44 35.89 Favored 'General case' 0 N--CA 1.45 -0.445 0 O-C-N 124.704 1.253 . . . . 19.79 108.523 177.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 55.4 m -57.91 129.22 40.91 Favored 'General case' 0 C--N 1.318 -0.804 0 O-C-N 125.551 1.782 . . . . 26.14 107.133 165.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 71.6 m -60.99 131.29 50.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 125.826 1.954 . . . . 19.8 110.989 -172.956 -58.581 -90.9 97.692 101.537 2.031 105.836 76.727 -71.247 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 58.0 t-20 -140.05 107.65 6.86 Favored Pre-proline 0 N--CA 1.469 0.489 0 N-CA-C 106.712 -1.588 . . . . 22.39 106.712 175.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -67.05 -8.28 21.31 Favored 'Trans proline' 0 C--N 1.316 -1.157 0 O-C-N 122.9 0.947 . . . . 25.17 112.101 -177.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -89.13 -12.21 41.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 119.415 1.007 . . . . 24.74 111.744 178.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.53 114.28 22.42 Favored 'General case' 0 C--O 1.25 1.08 0 O-C-N 124.702 1.251 . . . . 21.75 110.518 -174.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -60.4 -32.72 71.6 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 119.395 -0.922 . . . . 35.23 111.019 -178.634 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 88.9 p -63.1 -23.27 67.37 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-O 115.585 -2.15 . . . . 21.61 110.717 -179.15 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -91.92 0.08 57.48 Favored 'General case' 0 C--O 1.247 0.936 0 CA-C-N 120.432 1.469 . . . . 17.64 112.524 178.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -96.47 133.92 40.31 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 119.736 -1.852 . . . . 30.05 112.18 -174.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -128.85 163.85 24.34 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.753 0.787 . . . . 19.62 110.762 177.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -154.1 143.43 21.42 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.596 -0.89 . . . . 49.34 108.596 174.953 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -70.95 132.96 45.98 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 126.307 2.255 . . . . 22.46 109.664 174.242 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.3 m -116.05 4.45 7.47 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 C-N-CA 120.172 -0.611 . . . . 28.31 110.189 179.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 52.8 p -167.54 -176.71 3.28 Favored 'General case' 0 C--O 1.219 -0.521 0 C-N-CA 125.306 1.443 . . . . 25.59 108.897 175.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 48.2 p30 -66.06 -16.72 64.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 116.08 -1.914 . . . . 39.45 112.287 176.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 80.5 p -129.44 -8.85 4.66 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 115.128 1.529 . . . . 26.62 115.128 -173.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -113.63 138.85 49.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 119.629 1.104 . . . . 25.69 112.413 -171.407 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 60.2 mt -118.36 123.14 71.13 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 N-CA-C 108.66 -0.867 . . . . 18.87 108.66 178.432 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 62.3 ttp -101.28 136.28 41.39 Favored 'General case' 0 N--CA 1.448 -0.529 0 O-C-N 125.839 1.962 . . . . 25.68 110.79 -176.272 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.3 t -68.4 124.59 23.94 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 117.845 -1.074 . . . . 19.77 110.386 167.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.2 t -65.43 -41.92 92.23 Favored 'Isoleucine or valine' 0 C--O 1.255 1.347 0 CA-C-N 119.053 0.842 . . . . 23.21 111.585 179.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.86 -32.07 72.33 Favored 'General case' 0 C--O 1.247 0.959 0 O-C-N 120.962 -1.086 . . . . 25.67 113.8 -179.419 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -106.31 -16.35 14.59 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.832 1.196 . . . . 25.74 113.583 -174.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.7 mttt 54.39 41.89 31.72 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 120.021 -0.672 . . . . 32.35 109.651 -176.324 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 57.7 mt -130.99 154.37 48.24 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 126.918 2.087 . . . . 21.15 111.395 172.464 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 21.0 m -102.89 143.08 32.96 Favored 'General case' 0 C--O 1.247 0.967 0 C-N-CA 123.546 0.738 . . . . 20.76 112.011 -172.073 -80.329 78.004 99.204 105.587 2.043 104.437 -81.827 -63.708 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 75.5 mt -64.82 133.31 51.69 Favored 'General case' 0 CA--C 1.514 -0.434 0 O-C-N 125.127 1.517 . . . . 17.04 109.21 178.637 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -164.83 178.33 40.01 Favored Glycine 0 C--O 1.245 0.806 0 C-N-CA 119.445 -1.359 . . . . 17.42 111.425 -177.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 23.7 m -134.28 158.39 75.35 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 125.329 1.253 . . . . 20.23 110.477 -176.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -71.83 -22.62 23.35 Favored 'Trans proline' 0 C--O 1.245 0.862 0 C-N-CA 122.053 1.835 . . . . 25.55 113.257 175.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.1 p -169.55 159.92 8.71 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 109.275 -0.639 . . . . 26.62 109.275 179.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -86.28 74.71 9.95 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 125.344 1.652 . . . . 36.68 108.76 178.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 73.7 p -135.25 148.11 49.48 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 125.975 2.047 . . . . 27.42 111.916 -178.315 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -52.68 131.51 34.79 Favored 'General case' 0 C--O 1.236 0.38 0 O-C-N 121.255 -0.903 . . . . 25.27 109.24 177.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 2.5 t-105 71.08 18.79 5.76 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 126.316 1.847 . . . . 19.82 112.09 175.766 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.09 139.5 57.55 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 118.148 -2.845 . . . . 18.97 109.993 165.191 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.2 m -77.87 136.23 38.02 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 109.272 -0.64 . . . . 18.84 109.272 179.295 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.0 t -90.98 114.92 29.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 O-C-N 125.129 1.518 . . . . 15.1 107.723 172.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 67.2 p -134.87 -150.6 0.4 Allowed 'General case' 0 C--O 1.243 0.711 0 O-C-N 120.524 -1.36 . . . . 19.89 108.95 176.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.4 mt -123.32 134.35 54.05 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 119.812 -1.805 . . . . 19.41 112.356 -168.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -131.86 153.21 50.44 Favored 'General case' 0 C--O 1.248 0.993 0 C-N-CA 124.75 1.22 . . . . 21.82 111.571 -176.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.33 129.44 18.5 Favored 'General case' 0 C--O 1.249 1.075 0 C-N-CA 119.686 -0.806 . . . . 24.31 110.836 173.403 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.57 ' HA ' HE22 ' A' ' 79' ' ' GLN . 77.4 m -64.08 128.0 33.87 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 119.822 -0.751 . . . . 27.38 110.414 -176.233 -63.708 -81.827 99.204 104.437 2.043 105.587 78.004 -80.329 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.669 ' H ' ' NE2' ' A' ' 79' ' ' GLN . 56.8 t0 -145.75 109.79 4.9 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.176 -0.952 . . . . 33.39 110.611 -175.55 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.9 p -65.04 -12.17 47.46 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 123.481 0.488 . . . . 36.66 112.234 -174.076 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.8 mttt -98.83 -4.76 32.44 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 117.803 -1.559 . . . . 41.09 111.499 -178.666 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.2 t -80.47 126.52 31.31 Favored 'General case' 0 C--O 1.22 -0.49 0 C-N-CA 119.003 -1.079 . . . . 32.64 110.188 -178.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -83.76 0.53 46.9 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 117.443 -1.703 . . . . 45.35 109.453 178.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -100.68 11.02 40.4 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-N 120.041 1.291 . . . . 36.83 113.59 -177.064 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.669 ' NE2' ' H ' ' A' ' 73' ' ' ASP . 7.9 pt20 -135.04 26.52 3.57 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 123.14 0.576 . . . . 24.09 109.916 176.644 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -105.84 124.07 48.97 Favored 'General case' 0 C--O 1.244 0.813 0 CA-C-N 114.85 -1.068 . . . . 32.0 108.613 179.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 56.7 m95 -118.11 159.68 22.83 Favored 'General case' 0 C--O 1.247 0.953 0 C-N-CA 125.457 1.503 . . . . 20.55 112.889 -178.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -150.6 155.78 40.08 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 124.997 1.436 . . . . 28.67 111.295 174.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 97.5 m -81.95 139.27 34.69 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 118.082 -1.447 . . . . 24.5 107.721 171.301 -69.186 93.818 102.408 103.163 2.048 103.722 89.659 -60.042 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 15.8 mmtt -105.01 -150.31 0.43 Allowed 'General case' 0 C--O 1.238 0.492 0 N-CA-C 106.581 -1.637 . . . . 31.24 106.581 174.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -89.7 165.59 14.11 Favored 'General case' 0 N--CA 1.486 1.328 1 C-N-CA 111.424 -4.11 . . . . 34.78 113.33 -179.168 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 40.49 51.66 2.92 Favored 'General case' 0 C--O 1.248 0.974 0 C-N-CA 126.054 1.742 . . . . 32.09 115.07 170.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 43.0 p 75.09 3.34 4.11 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 129.751 3.221 . . . . 25.8 110.888 175.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.403 HD21 ' CE2' ' A' ' 97' ' ' TYR . 39.5 tp -64.12 135.89 56.76 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 118.306 -1.358 . . . . 26.76 111.206 172.532 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -133.96 135.9 43.81 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 117.438 -1.268 . . . . 19.51 109.294 -170.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -167.46 -176.58 38.33 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 119.186 -1.483 . . . . 19.45 114.645 -175.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.8 mm -62.88 138.63 22.52 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 CA-C-N 113.972 -1.114 . . . . 24.36 110.544 179.598 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -64.59 125.12 23.72 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 120.63 -1.294 . . . . 36.38 110.351 -179.571 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.16 3.26 90.7 Favored Glycine 0 C--O 1.239 0.439 0 N-CA-C 116.279 1.272 . . . . 28.51 116.279 175.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.1 m -134.87 141.14 46.28 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 120.182 1.991 . . . . 31.98 111.263 179.352 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -85.21 62.51 7.54 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 120.567 -1.333 . . . . 34.07 110.17 179.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 78.6 mt -129.7 130.13 45.11 Favored 'General case' 0 C--O 1.25 1.115 0 N-CA-C 106.276 -1.75 . . . . 22.07 106.276 172.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.403 ' CE2' HD21 ' A' ' 88' ' ' LEU . 48.6 m-85 -111.65 145.65 38.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 127.778 3.174 . . . . 32.62 113.394 -169.405 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -64.03 115.16 4.65 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 112.907 -1.952 . . . . 16.51 108.697 171.4 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -137.68 145.0 42.09 Favored 'General case' 0 C--O 1.25 1.116 0 N-CA-C 113.015 0.746 . . . . 18.5 113.015 -164.34 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -144.08 137.4 27.54 Favored 'General case' 0 C--O 1.25 1.109 0 CA-C-N 114.752 -1.113 . . . . 27.06 111.776 174.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 131.47 -21.18 4.56 Favored Glycine 0 N--CA 1.477 1.375 0 C-N-CA 118.402 -1.856 . . . . 22.19 111.887 170.571 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -84.5 150.48 25.23 Favored 'General case' 0 C--O 1.242 0.674 0 O-C-N 120.496 -1.591 . . . . 24.85 111.47 -175.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 49.31 34.78 6.72 Favored 'General case' 0 C--O 1.251 1.182 0 N-CA-C 118.745 2.868 . . . . 32.18 118.745 173.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 56.5 mm-40 58.82 14.45 3.26 Favored 'General case' 0 C--N 1.318 -0.77 0 O-C-N 118.996 -2.315 . . . . 32.22 114.457 -179.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -81.36 121.12 25.83 Favored 'General case' 0 C--O 1.243 0.718 0 O-C-N 120.73 -1.231 . . . . 24.11 112.468 -179.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -76.84 -27.18 55.02 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 120.76 -1.212 . . . . 37.22 113.78 -177.259 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -82.13 144.53 30.69 Favored 'General case' 0 C--O 1.241 0.657 0 O-C-N 120.945 -1.097 . . . . 17.93 111.222 -176.113 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 48.7 mm -53.55 137.73 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 CA-C-O 123.29 1.519 . . . . 16.44 110.243 169.06 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -125.99 154.24 43.2 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 118.891 -2.38 . . . . 19.56 111.968 178.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 20.4 mt -74.16 136.88 42.87 Favored 'General case' 0 C--O 1.245 0.856 0 N-CA-C 107.973 -1.121 . . . . 20.81 107.973 159.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -141.58 147.25 37.37 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-O 121.671 0.748 . . . . 26.43 109.425 178.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -73.95 -23.87 59.57 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 123.979 1.847 . . . . 36.54 111.838 177.402 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -75.71 150.18 39.33 Favored Glycine 0 C--O 1.239 0.44 0 C-N-CA 118.307 -1.901 . . . . 22.43 112.391 -175.309 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 70.8 p -125.24 30.29 5.86 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 122.153 0.978 . . . . 25.04 111.666 -173.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -78.26 -153.23 6.46 Favored Glycine 0 C--O 1.249 1.077 0 CA-C-O 123.54 1.633 . . . . 21.29 114.874 176.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 95.4 mt -66.7 -21.43 66.08 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 114.519 1.303 . . . . 29.28 114.519 -174.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 51.2 m0 -88.04 -3.82 58.86 Favored 'General case' 0 C--O 1.255 1.344 0 O-C-N 121.57 -0.706 . . . . 24.03 112.702 -176.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 58.3 m -109.87 9.28 24.58 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.011 0.924 . . . . 17.41 111.87 177.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 62.6 mtt-85 -109.33 129.55 55.52 Favored 'General case' 0 C--O 1.246 0.895 0 CA-C-N 112.794 -2.003 . . . . 34.55 112.849 -177.618 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -141.08 136.38 31.91 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 120.164 -1.585 . . . . 18.38 109.73 -166.633 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -118.63 160.2 22.24 Favored 'General case' 0 C--O 1.248 0.982 0 CA-C-O 119.021 -0.514 . . . . 35.53 111.662 177.188 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 79.7 t -65.41 120.21 11.83 Favored 'Isoleucine or valine' 0 C--O 1.251 1.143 0 O-C-N 126.563 2.414 . . . . 19.72 106.46 166.209 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -55.14 130.98 44.11 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.516 0.674 . . . . 29.33 111.456 179.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 89.49 8.1 68.47 Favored Glycine 0 C--O 1.242 0.599 0 CA-C-N 115.348 -0.842 . . . . 27.72 114.076 -178.809 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 15.3 p -140.97 170.2 16.17 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 126.169 1.787 . . . . 25.36 109.511 -179.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 35.1 p -105.64 18.45 22.17 Favored 'General case' 0 C--O 1.221 -0.409 0 C-N-CA 117.775 -1.57 . . . . 31.62 110.06 172.814 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -97.45 154.89 17.19 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 114.826 1.417 . . . . 30.78 114.826 -175.481 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 27.1 p30 -72.1 172.57 9.88 Favored 'General case' 0 C--O 1.243 0.719 0 O-C-N 125.306 1.628 . . . . 24.32 111.192 179.957 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 45.8 mt -68.18 -23.68 64.88 Favored 'General case' 0 C--O 1.247 0.925 0 O-C-N 118.755 -2.466 . . . . 19.16 113.215 -174.532 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 82.7 m -74.89 -3.76 33.94 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 119.413 -0.915 . . . . 21.38 111.99 -176.456 -60.042 89.659 102.408 103.722 2.048 103.163 93.818 -69.186 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 84.2 p -71.85 -10.87 60.41 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 122.602 1.191 . . . . 21.4 111.163 174.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 23.2 mmt85 -112.67 15.4 19.99 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 117.096 -1.842 . . . . 34.75 111.237 175.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -112.45 -152.98 11.71 Favored Glycine 0 N--CA 1.47 0.902 0 O-C-N 119.399 -2.063 . . . . 31.85 112.628 -173.817 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.422 ' O ' ' HB2' ' A' ' 135' ' ' GLU . 84.8 m-85 -119.45 161.06 21.17 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 117.091 0.446 . . . . 51.65 111.282 -174.706 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 134' ' ' TYR . 85.3 mt-10 . . . . . 0 C--O 1.24 0.583 0 C-N-CA 119.712 -0.795 . . . . 72.68 109.952 -178.55 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_