data_6iju_residue ############################ # Computer software used # ############################ 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 6iju _Structure_validation_residue.Date_analyzed 2019-10-11 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 51.1 p30 . . . . . 0 CA--C 1.546 0.79 0 N-CA-C 113.774 1.028 . . . . 79.04 113.774 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 58.1 mt -123.4 146.64 28.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 C-N-CA 124.443 1.097 . . . . 56.01 108.857 178.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.1 mt -127.56 138.04 55.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 N-CA-C 109.067 -0.716 . . . . 40.6 109.067 -178.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -127.67 114.82 17.84 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 107.779 -1.193 . . . . 77.58 107.779 177.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.5 t -113.95 -88.09 0.16 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.693 0 C-N-CA 118.044 -1.462 . . . . 87.43 112.304 -175.277 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -91.47 38.21 0.97 Allowed 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 115.468 -0.787 . . . . 77.26 111.386 -172.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.34 2.47 89.33 Favored Glycine 0 N--CA 1.442 -0.957 0 CA-C-O 119.246 -0.752 . . . . 58.72 114.686 -161.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 95.1 mt -101.29 132.13 47.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 118.477 1.139 . . . . 45.69 108.711 179.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.0 m -108.05 124.77 50.7 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.49 -0.559 . . . . 47.31 109.49 176.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.7 tt -136.61 131.62 47.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 N-CA-C 109.41 -0.589 . . . . 38.95 109.41 -179.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -93.63 143.91 25.87 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-N 116.451 -0.34 . . . . 74.57 110.31 177.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -59.03 -37.62 77.39 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 119.259 -0.976 . . . . 55.29 110.964 175.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -98.11 113.44 25.33 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.739 0.415 . . . . 34.23 110.048 175.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.75 -23.28 63.35 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 119.783 -0.767 . . . . 25.54 112.658 177.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -91.09 61.5 4.58 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 122.766 1.27 . . . . 30.94 111.635 -168.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -110.29 149.45 30.16 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 114.484 -1.234 . . . . 69.46 109.422 176.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.8 m -126.55 150.62 32.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 N-CA-C 107.449 -1.315 . . . . 34.77 107.449 167.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 43.2 p -101.32 143.41 31.41 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 121.08 0.466 . . . . 58.58 110.352 179.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.6 p -158.3 130.31 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.215 -0.661 . . . . 38.35 109.215 178.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 34.2 t30 52.03 37.86 22.43 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.598 0.713 . . . . 50.64 111.914 179.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 68.54 4.45 38.76 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.009 -1.091 . . . . 52.05 115.482 -175.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.2 -173.29 2.26 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 119.035 1.418 . . . . 42.4 109.758 175.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -132.45 130.0 39.97 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 123.744 0.817 . . . . 84.17 110.223 -174.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 68.1 mt -103.13 127.13 57.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 107.933 -1.136 . . . . 38.31 107.933 168.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -95.18 123.93 38.95 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 108.699 -0.852 . . . . 76.65 108.699 177.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.6 mt -117.36 173.37 6.73 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.927 0.87 . . . . 28.99 110.079 -176.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.5 p -95.36 168.7 10.56 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 108.635 -0.876 . . . . 33.85 108.635 164.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.4 tttp -53.56 -49.05 68.52 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 119.484 -0.886 . . . . 36.04 111.526 176.209 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 44.9 m -66.4 -39.71 89.17 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 121.605 -0.684 . . . . 27.91 111.059 -174.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -63.4 -44.79 93.67 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 121.804 -0.56 . . . . 29.98 111.356 176.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -58.14 -45.85 86.65 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.119 0.485 . . . . 30.55 111.046 178.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -69.23 -29.7 67.7 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 119.61 -0.836 . . . . 34.23 110.966 -176.016 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 39.7 tp -72.43 -46.45 55.0 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 120.709 0.29 . . . . 32.01 110.631 179.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.8 tp -56.42 -45.88 80.49 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 116.291 -0.413 . . . . 32.69 110.966 173.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -61.12 -47.04 88.1 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 118.948 -1.101 . . . . 40.65 110.824 179.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 40.2 tp -57.3 -47.42 81.52 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.059 0.457 . . . . 38.23 111.215 -177.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 61.2 mt -62.59 -46.4 88.48 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 120.087 -0.645 . . . . 37.32 110.611 177.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.01 -41.32 86.88 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.938 -0.305 . . . . 40.69 111.274 -175.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -54.11 -27.1 30.98 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.8 0.296 . . . . 65.5 111.8 172.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -112.67 31.88 6.04 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 123.094 0.558 . . . . 53.41 111.956 -175.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -38.22 131.02 1.19 Allowed 'General case' 0 CA--C 1.517 -0.3 0 C-N-CA 123.281 0.632 . . . . 75.52 110.414 176.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.3 m-20 72.18 -3.61 2.22 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 126.451 1.9 . . . . 84.18 114.028 174.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -106.2 120.42 41.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 119.442 1.019 . . . . 102.56 109.262 173.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 49.0 t -64.85 137.7 24.49 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 N-CA-C 109.682 -0.488 . . . . 54.7 109.682 177.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 74.3 mmm -110.29 120.65 43.13 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 122.985 0.514 . . . . 62.65 109.713 178.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -66.48 144.75 56.29 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.293 0.568 . . . . 92.24 110.379 174.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -52.19 -47.28 65.65 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.754 -0.657 . . . . 67.35 112.047 -176.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -60.8 -35.85 77.55 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 119.184 -1.006 . . . . 79.97 111.187 -178.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -64.59 -44.79 89.53 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 121.274 0.559 . . . . 90.44 110.79 178.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 49.3 mt -59.91 -42.27 88.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 C-N-CA 120.085 -0.646 . . . . 39.01 109.967 176.22 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.6 tp -57.24 -47.34 81.61 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 120.802 -0.359 . . . . 34.53 110.56 179.145 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -58.79 -44.42 90.72 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 120.033 -0.667 . . . . 44.96 111.219 -178.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -76.1 -43.09 44.99 Favored 'General case' 0 CA--C 1.514 -0.436 0 C-N-CA 120.824 -0.35 . . . . 53.9 111.73 -173.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 56.4 t -88.93 -36.59 9.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 119.018 -1.073 . . . . 34.87 111.688 -174.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 18.1 m-90 -106.24 -13.81 15.3 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 120.33 -1.481 . . . . 31.51 113.736 -174.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.56 143.97 9.45 Favored Glycine 0 CA--C 1.527 0.816 0 CA-C-N 119.051 0.841 . . . . 42.26 112.515 179.648 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -65.37 -23.8 67.07 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 120.245 -0.582 . . . . 77.9 112.511 -176.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -112.15 22.39 14.84 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 119.746 -0.782 . . . . 62.07 112.192 -177.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.7 t -67.14 139.71 57.49 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 121.45 0.643 . . . . 37.2 111.305 -170.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -84.49 0.74 48.64 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.526 -0.761 . . . . 41.57 112.62 175.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.4 p -68.98 147.94 11.92 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 C-N-CA 119.602 -0.839 . . . . 30.48 109.54 -176.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -64.15 136.46 57.25 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.746 -0.661 . . . . 39.04 110.175 173.246 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.7 m -57.59 -20.02 29.69 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 112.759 0.651 . . . . 44.3 112.759 -172.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -80.9 2.33 27.09 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 118.575 -1.25 . . . . 50.21 114.37 -176.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.6 m -55.89 -35.41 40.29 Favored 'Isoleucine or valine' 0 C--N 1.345 0.383 0 CA-C-N 121.218 1.826 . . . . 47.77 110.501 167.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 39.0 t -52.82 -50.02 44.74 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 C-N-CA 120.222 -0.591 . . . . 35.13 109.484 179.122 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -57.68 -46.64 84.01 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 120.634 -0.426 . . . . 49.62 110.835 176.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.4 t -57.93 -44.87 87.51 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 CA-C-O 121.305 0.574 . . . . 40.86 109.827 -177.006 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -81.31 -28.13 34.71 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 112.323 0.49 . . . . 31.66 112.323 -174.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.1 mm -56.95 -43.71 81.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 C-N-CA 119.51 -0.876 . . . . 40.72 109.681 168.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.2 mtm105 -64.46 -45.55 86.91 Favored 'General case' 0 C--O 1.238 0.472 0 O-C-N 121.883 -0.51 . . . . 84.19 111.497 176.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 18.3 m-30 -53.74 -45.05 70.42 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 120.569 -0.452 . . . . 39.83 110.834 174.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.1 tp -67.04 -45.33 77.77 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.504 -0.316 . . . . 42.24 111.132 -176.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -56.4 -45.0 80.82 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.847 -0.341 . . . . 46.79 111.612 175.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -62.47 -33.92 75.8 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.492 -0.483 . . . . 43.81 111.508 -178.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -69.93 -27.35 64.69 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 119.794 -0.762 . . . . 37.36 111.008 176.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 57.4 mt -90.65 -19.34 23.76 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 112.932 0.716 . . . . 38.65 112.932 -177.891 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -56.66 -42.17 94.96 Favored Pre-proline 0 C--O 1.241 0.616 0 CA-C-O 117.976 -1.011 . . . . 69.65 113.605 -179.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -60.05 -21.83 66.96 Favored 'Trans proline' 0 C--O 1.233 0.238 0 CA-C-N 121.652 1.626 . . . . 46.79 114.293 -179.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -109.65 14.3 23.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 118.721 0.691 . . . . 67.69 111.635 -176.472 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 50.91 45.75 27.13 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 124.619 1.168 . . . . 69.57 112.553 -177.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -118.84 2.95 11.62 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.917 0.71 . . . . 65.76 112.917 173.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -64.18 -34.28 77.72 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 118.616 0.644 . . . . 53.95 112.211 -173.248 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -70.28 -4.46 22.06 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 119.369 -0.932 . . . . 62.8 113.289 -175.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 18.4 ptm -72.72 -25.3 61.17 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 118.552 0.614 . . . . 50.87 112.409 176.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 61.7 mt -90.35 108.28 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 106.946 -1.501 . . . . 49.93 106.946 174.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -105.36 136.26 45.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.922 0.392 . . . . 76.11 111.233 -173.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.1 m -78.37 120.86 23.72 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.239 -0.892 . . . . 60.48 108.724 171.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.3 t -98.26 93.07 3.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 104.189 -2.522 . . . . 68.48 104.189 167.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -61.89 124.3 20.38 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.77 -0.65 . . . . 105.57 110.705 -162.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.32 -28.62 14.36 Favored Glycine 0 N--CA 1.436 -1.319 0 CA-C-N 115.163 -0.926 . . . . 81.56 114.419 179.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.3 p -109.67 -54.97 5.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 118.379 1.09 . . . . 80.32 111.977 -179.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 167.95 -140.85 6.46 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 119.392 -1.385 . . . . 75.32 115.057 -178.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -127.16 151.78 48.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.241 0.543 . . . . 49.61 110.288 -167.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 12.8 p -148.3 147.0 17.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 CA-C-N 115.214 -0.903 . . . . 50.7 108.622 179.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.7 mt -104.3 121.2 55.7 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 N-CA-C 106.628 -1.619 . . . . 49.57 106.628 164.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.6 tpp180 . . . . . 0 CA--C 1.535 0.377 0 N-CA-C 112.854 0.687 . . . . 73.09 112.854 -171.31 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ASP . . . . . 0.514 ' HB2' ' O ' ' A' ' 122' ' ' HOH . 51.1 p30 . . . . . 0 CA--C 1.546 0.79 0 N-CA-C 113.774 1.028 . . . . 79.04 113.774 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 58.1 mt -123.4 146.64 28.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 C-N-CA 124.443 1.097 . . . . 56.01 108.857 178.068 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.1 mt -127.56 138.04 55.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 N-CA-C 109.067 -0.716 . . . . 40.6 109.067 -178.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -127.67 114.82 17.84 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 107.779 -1.193 . . . . 77.58 107.779 177.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.5 t -113.95 -88.09 0.16 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.693 0 C-N-CA 118.044 -1.462 . . . . 87.43 112.304 -175.277 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -91.47 38.21 0.97 Allowed 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 115.468 -0.787 . . . . 77.26 111.386 -172.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.34 2.47 89.33 Favored Glycine 0 N--CA 1.442 -0.957 0 CA-C-O 119.246 -0.752 . . . . 58.72 114.686 -161.727 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 95.1 mt -101.29 132.13 47.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 118.477 1.139 . . . . 45.69 108.711 179.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.0 m -108.05 124.77 50.7 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.49 -0.559 . . . . 47.31 109.49 176.294 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.7 tt -136.61 131.62 47.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 N-CA-C 109.41 -0.589 . . . . 38.95 109.41 -179.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -93.63 143.91 25.87 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-N 116.451 -0.34 . . . . 74.57 110.31 177.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -59.03 -37.62 77.39 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 119.259 -0.976 . . . . 55.29 110.964 175.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -98.11 113.44 25.33 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.739 0.415 . . . . 34.23 110.048 175.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.75 -23.28 63.35 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 119.783 -0.767 . . . . 25.54 112.658 177.136 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -91.09 61.5 4.58 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 122.766 1.27 . . . . 30.94 111.635 -168.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -110.29 149.45 30.16 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 114.484 -1.234 . . . . 69.46 109.422 176.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.8 m -126.55 150.62 32.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 N-CA-C 107.449 -1.315 . . . . 34.77 107.449 167.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 43.2 p -101.32 143.41 31.41 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 121.08 0.466 . . . . 58.58 110.352 179.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.6 p -158.3 130.31 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.215 -0.661 . . . . 38.35 109.215 178.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 34.2 t30 52.03 37.86 22.43 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.598 0.713 . . . . 50.64 111.914 179.222 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 68.54 4.45 38.76 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.009 -1.091 . . . . 52.05 115.482 -175.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.2 -173.29 2.26 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 119.035 1.418 . . . . 42.4 109.758 175.567 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -132.45 130.0 39.97 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 123.744 0.817 . . . . 84.17 110.223 -174.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 68.1 mt -103.13 127.13 57.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 107.933 -1.136 . . . . 38.31 107.933 168.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -95.18 123.93 38.95 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 108.699 -0.852 . . . . 76.65 108.699 177.659 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.6 mt -117.36 173.37 6.73 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.927 0.87 . . . . 28.99 110.079 -176.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.5 p -95.36 168.7 10.56 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 108.635 -0.876 . . . . 33.85 108.635 164.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.4 tttp -53.56 -49.05 68.52 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 119.484 -0.886 . . . . 36.04 111.526 176.209 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 44.9 m -66.4 -39.71 89.17 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 121.605 -0.684 . . . . 27.91 111.059 -174.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -63.4 -44.79 93.67 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 121.804 -0.56 . . . . 29.98 111.356 176.297 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -58.14 -45.85 86.65 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.119 0.485 . . . . 30.55 111.046 178.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -69.23 -29.7 67.7 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 119.61 -0.836 . . . . 34.23 110.966 -176.016 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 39.7 tp -72.43 -46.45 55.0 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 120.709 0.29 . . . . 32.01 110.631 179.916 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.8 tp -56.42 -45.88 80.49 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 116.291 -0.413 . . . . 32.69 110.966 173.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -61.12 -47.04 88.1 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 118.948 -1.101 . . . . 40.65 110.824 179.57 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 40.2 tp -57.3 -47.42 81.52 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.059 0.457 . . . . 38.23 111.215 -177.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 61.2 mt -62.59 -46.4 88.48 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 120.087 -0.645 . . . . 37.32 110.611 177.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.01 -41.32 86.88 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.938 -0.305 . . . . 40.69 111.274 -175.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -54.11 -27.1 30.98 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.8 0.296 . . . . 65.5 111.8 172.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -112.67 31.88 6.04 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 123.094 0.558 . . . . 53.41 111.956 -175.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -38.22 131.02 1.19 Allowed 'General case' 0 CA--C 1.517 -0.3 0 C-N-CA 123.281 0.632 . . . . 75.52 110.414 176.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.3 m-20 72.18 -3.61 2.22 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 126.451 1.9 . . . . 84.18 114.028 174.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -106.2 120.42 41.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 119.442 1.019 . . . . 102.56 109.262 173.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 49.0 t -64.85 137.7 24.49 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 N-CA-C 109.682 -0.488 . . . . 54.7 109.682 177.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 74.3 mmm -110.29 120.65 43.13 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 122.985 0.514 . . . . 62.65 109.713 178.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -66.48 144.75 56.29 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.293 0.568 . . . . 92.24 110.379 174.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -52.19 -47.28 65.65 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.754 -0.657 . . . . 67.35 112.047 -176.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -60.8 -35.85 77.55 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 119.184 -1.006 . . . . 79.97 111.187 -178.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -64.59 -44.79 89.53 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 121.274 0.559 . . . . 90.44 110.79 178.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 49.3 mt -59.91 -42.27 88.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 C-N-CA 120.085 -0.646 . . . . 39.01 109.967 176.22 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.6 tp -57.24 -47.34 81.61 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 120.802 -0.359 . . . . 34.53 110.56 179.145 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -58.79 -44.42 90.72 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 120.033 -0.667 . . . . 44.96 111.219 -178.785 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -76.1 -43.09 44.99 Favored 'General case' 0 CA--C 1.514 -0.436 0 C-N-CA 120.824 -0.35 . . . . 53.9 111.73 -173.086 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 56.4 t -88.93 -36.59 9.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 119.018 -1.073 . . . . 34.87 111.688 -174.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 18.1 m-90 -106.24 -13.81 15.3 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 120.33 -1.481 . . . . 31.51 113.736 -174.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.56 143.97 9.45 Favored Glycine 0 CA--C 1.527 0.816 0 CA-C-N 119.051 0.841 . . . . 42.26 112.515 179.648 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -65.37 -23.8 67.07 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 120.245 -0.582 . . . . 77.9 112.511 -176.097 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -112.15 22.39 14.84 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 119.746 -0.782 . . . . 62.07 112.192 -177.565 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.7 t -67.14 139.71 57.49 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 121.45 0.643 . . . . 37.2 111.305 -170.901 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -84.49 0.74 48.64 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.526 -0.761 . . . . 41.57 112.62 175.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.4 p -68.98 147.94 11.92 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 C-N-CA 119.602 -0.839 . . . . 30.48 109.54 -176.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -64.15 136.46 57.25 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.746 -0.661 . . . . 39.04 110.175 173.246 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.7 m -57.59 -20.02 29.69 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 112.759 0.651 . . . . 44.3 112.759 -172.272 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -80.9 2.33 27.09 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 118.575 -1.25 . . . . 50.21 114.37 -176.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.6 m -55.89 -35.41 40.29 Favored 'Isoleucine or valine' 0 C--N 1.345 0.383 0 CA-C-N 121.218 1.826 . . . . 47.77 110.501 167.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 39.0 t -52.82 -50.02 44.74 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 C-N-CA 120.222 -0.591 . . . . 35.13 109.484 179.122 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -57.68 -46.64 84.01 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 120.634 -0.426 . . . . 49.62 110.835 176.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.4 t -57.93 -44.87 87.51 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 CA-C-O 121.305 0.574 . . . . 40.86 109.827 -177.006 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -81.31 -28.13 34.71 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 112.323 0.49 . . . . 31.66 112.323 -174.736 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ILE . . . . . 0.488 HG21 ' CE2' ' A' ' 94' ' ' TYR . 7.1 mm -56.95 -43.71 81.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 C-N-CA 119.51 -0.876 . . . . 40.72 109.681 168.795 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.2 mtm105 -64.46 -45.55 86.91 Favored 'General case' 0 C--O 1.238 0.472 0 O-C-N 121.883 -0.51 . . . . 84.19 111.497 176.93 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 18.3 m-30 -53.74 -45.05 70.42 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 120.569 -0.452 . . . . 39.83 110.834 174.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.1 tp -67.04 -45.33 77.77 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.504 -0.316 . . . . 42.24 111.132 -176.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -56.4 -45.0 80.82 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.847 -0.341 . . . . 46.79 111.612 175.222 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -62.47 -33.92 75.8 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.492 -0.483 . . . . 43.81 111.508 -178.589 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -69.93 -27.35 64.69 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 119.794 -0.762 . . . . 37.36 111.008 176.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 57.4 mt -90.65 -19.34 23.76 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 112.932 0.716 . . . . 38.65 112.932 -177.891 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -56.66 -42.17 94.96 Favored Pre-proline 0 C--O 1.241 0.616 0 CA-C-O 117.976 -1.011 . . . . 69.65 113.605 -179.679 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -60.05 -21.83 66.96 Favored 'Trans proline' 0 C--O 1.233 0.238 0 CA-C-N 121.652 1.626 . . . . 46.79 114.293 -179.59 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -109.65 14.3 23.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 118.721 0.691 . . . . 67.69 111.635 -176.472 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 50.91 45.75 27.13 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 124.619 1.168 . . . . 69.57 112.553 -177.654 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -118.84 2.95 11.62 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.917 0.71 . . . . 65.76 112.917 173.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -64.18 -34.28 77.72 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 118.616 0.644 . . . . 53.95 112.211 -173.248 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -70.28 -4.46 22.06 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 119.369 -0.932 . . . . 62.8 113.289 -175.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 18.4 ptm -72.72 -25.3 61.17 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 118.552 0.614 . . . . 50.87 112.409 176.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 61.7 mt -90.35 108.28 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 106.946 -1.501 . . . . 49.93 106.946 174.779 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -105.36 136.26 45.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.922 0.392 . . . . 76.11 111.233 -173.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.1 m -78.37 120.86 23.72 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.239 -0.892 . . . . 60.48 108.724 171.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.3 t -98.26 93.07 3.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 104.189 -2.522 . . . . 68.48 104.189 167.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -61.89 124.3 20.38 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.77 -0.65 . . . . 105.57 110.705 -162.715 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.32 -28.62 14.36 Favored Glycine 0 N--CA 1.436 -1.319 0 CA-C-N 115.163 -0.926 . . . . 81.56 114.419 179.302 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.3 p -109.67 -54.97 5.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 118.379 1.09 . . . . 80.32 111.977 -179.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 167.95 -140.85 6.46 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 119.392 -1.385 . . . . 75.32 115.057 -178.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' TYR . . . . . 0.488 ' CE2' HG21 ' A' ' 70' ' ' ILE . 94.5 m-85 -127.16 151.78 48.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.241 0.543 . . . . 49.61 110.288 -167.315 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 12.8 p -148.3 147.0 17.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 CA-C-N 115.214 -0.903 . . . . 50.7 108.622 179.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.7 mt -104.3 121.2 55.7 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 N-CA-C 106.628 -1.619 . . . . 49.57 106.628 164.276 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.6 tpp180 . . . . . 0 CA--C 1.535 0.377 0 N-CA-C 112.854 0.687 . . . . 73.09 112.854 -171.31 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . 0.514 ' O ' ' HB2' ' A' ' 1' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.514 ' HB2' ' O ' ' A' ' 122' ' ' HOH . 51.1 p30 . . . . . 0 CA--C 1.546 0.79 0 N-CA-C 113.774 1.028 . . . . 79.04 113.774 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 58.1 mt -123.4 146.64 28.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 C-N-CA 124.443 1.097 . . . . 56.01 108.857 178.068 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.1 mt -127.56 138.04 55.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 N-CA-C 109.067 -0.716 . . . . 40.6 109.067 -178.549 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -127.67 114.82 17.84 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 107.779 -1.193 . . . . 77.58 107.779 177.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.5 t -113.95 -88.09 0.16 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.693 0 C-N-CA 118.044 -1.462 . . . . 87.43 112.304 -175.277 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -91.47 38.21 0.97 Allowed 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 115.468 -0.787 . . . . 77.26 111.386 -172.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.34 2.47 89.33 Favored Glycine 0 N--CA 1.442 -0.957 0 CA-C-O 119.246 -0.752 . . . . 58.72 114.686 -161.727 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 95.1 mt -101.29 132.13 47.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 118.477 1.139 . . . . 45.69 108.711 179.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.0 m -108.05 124.77 50.7 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.49 -0.559 . . . . 47.31 109.49 176.294 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.7 tt -136.61 131.62 47.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 N-CA-C 109.41 -0.589 . . . . 38.95 109.41 -179.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -93.63 143.91 25.87 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-N 116.451 -0.34 . . . . 74.57 110.31 177.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -59.03 -37.62 77.39 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 119.259 -0.976 . . . . 55.29 110.964 175.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -98.11 113.44 25.33 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.739 0.415 . . . . 34.23 110.048 175.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.75 -23.28 63.35 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 119.783 -0.767 . . . . 25.54 112.658 177.136 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -91.09 61.5 4.58 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 122.766 1.27 . . . . 30.94 111.635 -168.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -110.29 149.45 30.16 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 114.484 -1.234 . . . . 69.46 109.422 176.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.8 m -126.55 150.62 32.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 N-CA-C 107.449 -1.315 . . . . 34.77 107.449 167.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 43.2 p -101.32 143.41 31.41 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 121.08 0.466 . . . . 58.58 110.352 179.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.6 p -158.3 130.31 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.215 -0.661 . . . . 38.35 109.215 178.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 34.2 t30 52.03 37.86 22.43 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.598 0.713 . . . . 50.64 111.914 179.222 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 68.54 4.45 38.76 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.009 -1.091 . . . . 52.05 115.482 -175.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.2 -173.29 2.26 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 119.035 1.418 . . . . 42.4 109.758 175.567 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -132.45 130.0 39.97 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 123.744 0.817 . . . . 84.17 110.223 -174.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 68.1 mt -103.13 127.13 57.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 107.933 -1.136 . . . . 38.31 107.933 168.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -95.18 123.93 38.95 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 108.699 -0.852 . . . . 76.65 108.699 177.659 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.6 mt -117.36 173.37 6.73 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.927 0.87 . . . . 28.99 110.079 -176.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.5 p -95.36 168.7 10.56 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 108.635 -0.876 . . . . 33.85 108.635 164.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.4 tttp -53.56 -49.05 68.52 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 119.484 -0.886 . . . . 36.04 111.526 176.209 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 44.9 m -66.4 -39.71 89.17 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 121.605 -0.684 . . . . 27.91 111.059 -174.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -63.4 -44.79 93.67 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 121.804 -0.56 . . . . 29.98 111.356 176.297 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -58.14 -45.85 86.65 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.119 0.485 . . . . 30.55 111.046 178.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -69.23 -29.7 67.7 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 119.61 -0.836 . . . . 34.23 110.966 -176.016 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 39.7 tp -72.43 -46.45 55.0 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 120.709 0.29 . . . . 32.01 110.631 179.916 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.8 tp -56.42 -45.88 80.49 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 116.291 -0.413 . . . . 32.69 110.966 173.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -61.12 -47.04 88.1 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 118.948 -1.101 . . . . 40.65 110.824 179.57 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 40.2 tp -57.3 -47.42 81.52 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.059 0.457 . . . . 38.23 111.215 -177.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 61.2 mt -62.59 -46.4 88.48 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 120.087 -0.645 . . . . 37.32 110.611 177.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.01 -41.32 86.88 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.938 -0.305 . . . . 40.69 111.274 -175.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -54.11 -27.1 30.98 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.8 0.296 . . . . 65.5 111.8 172.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -112.67 31.88 6.04 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 123.094 0.558 . . . . 53.41 111.956 -175.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -38.22 131.02 1.19 Allowed 'General case' 0 CA--C 1.517 -0.3 0 C-N-CA 123.281 0.632 . . . . 75.52 110.414 176.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.3 m-20 72.18 -3.61 2.22 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 126.451 1.9 . . . . 84.18 114.028 174.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -106.2 120.42 41.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 119.442 1.019 . . . . 102.56 109.262 173.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 49.0 t -64.85 137.7 24.49 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 N-CA-C 109.682 -0.488 . . . . 54.7 109.682 177.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 74.3 mmm -110.29 120.65 43.13 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 122.985 0.514 . . . . 62.65 109.713 178.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -66.48 144.75 56.29 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.293 0.568 . . . . 92.24 110.379 174.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -52.19 -47.28 65.65 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.754 -0.657 . . . . 67.35 112.047 -176.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -60.8 -35.85 77.55 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 119.184 -1.006 . . . . 79.97 111.187 -178.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -64.59 -44.79 89.53 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 121.274 0.559 . . . . 90.44 110.79 178.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 49.3 mt -59.91 -42.27 88.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 C-N-CA 120.085 -0.646 . . . . 39.01 109.967 176.22 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.6 tp -57.24 -47.34 81.61 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 120.802 -0.359 . . . . 34.53 110.56 179.145 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -58.79 -44.42 90.72 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 120.033 -0.667 . . . . 44.96 111.219 -178.785 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -76.1 -43.09 44.99 Favored 'General case' 0 CA--C 1.514 -0.436 0 C-N-CA 120.824 -0.35 . . . . 53.9 111.73 -173.086 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 56.4 t -88.93 -36.59 9.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 119.018 -1.073 . . . . 34.87 111.688 -174.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 18.1 m-90 -106.24 -13.81 15.3 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 120.33 -1.481 . . . . 31.51 113.736 -174.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.56 143.97 9.45 Favored Glycine 0 CA--C 1.527 0.816 0 CA-C-N 119.051 0.841 . . . . 42.26 112.515 179.648 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -65.37 -23.8 67.07 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 120.245 -0.582 . . . . 77.9 112.511 -176.097 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -112.15 22.39 14.84 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 119.746 -0.782 . . . . 62.07 112.192 -177.565 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.7 t -67.14 139.71 57.49 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 121.45 0.643 . . . . 37.2 111.305 -170.901 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -84.49 0.74 48.64 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.526 -0.761 . . . . 41.57 112.62 175.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.4 p -68.98 147.94 11.92 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 C-N-CA 119.602 -0.839 . . . . 30.48 109.54 -176.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -64.15 136.46 57.25 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.746 -0.661 . . . . 39.04 110.175 173.246 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.7 m -57.59 -20.02 29.69 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 112.759 0.651 . . . . 44.3 112.759 -172.272 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -80.9 2.33 27.09 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 118.575 -1.25 . . . . 50.21 114.37 -176.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.6 m -55.89 -35.41 40.29 Favored 'Isoleucine or valine' 0 C--N 1.345 0.383 0 CA-C-N 121.218 1.826 . . . . 47.77 110.501 167.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 39.0 t -52.82 -50.02 44.74 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 C-N-CA 120.222 -0.591 . . . . 35.13 109.484 179.122 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -57.68 -46.64 84.01 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 120.634 -0.426 . . . . 49.62 110.835 176.33 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.4 t -57.93 -44.87 87.51 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 CA-C-O 121.305 0.574 . . . . 40.86 109.827 -177.006 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -81.31 -28.13 34.71 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 112.323 0.49 . . . . 31.66 112.323 -174.736 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.488 HG21 ' CE2' ' A' ' 94' ' ' TYR . 7.1 mm -56.95 -43.71 81.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 C-N-CA 119.51 -0.876 . . . . 40.72 109.681 168.795 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.2 mtm105 -64.46 -45.55 86.91 Favored 'General case' 0 C--O 1.238 0.472 0 O-C-N 121.883 -0.51 . . . . 84.19 111.497 176.93 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 18.3 m-30 -53.74 -45.05 70.42 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 120.569 -0.452 . . . . 39.83 110.834 174.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.1 tp -67.04 -45.33 77.77 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.504 -0.316 . . . . 42.24 111.132 -176.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -56.4 -45.0 80.82 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.847 -0.341 . . . . 46.79 111.612 175.222 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -62.47 -33.92 75.8 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.492 -0.483 . . . . 43.81 111.508 -178.589 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -69.93 -27.35 64.69 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 119.794 -0.762 . . . . 37.36 111.008 176.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 57.4 mt -90.65 -19.34 23.76 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 112.932 0.716 . . . . 38.65 112.932 -177.891 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -56.66 -42.17 94.96 Favored Pre-proline 0 C--O 1.241 0.616 0 CA-C-O 117.976 -1.011 . . . . 69.65 113.605 -179.679 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -60.05 -21.83 66.96 Favored 'Trans proline' 0 C--O 1.233 0.238 0 CA-C-N 121.652 1.626 . . . . 46.79 114.293 -179.59 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -109.65 14.3 23.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 118.721 0.691 . . . . 67.69 111.635 -176.472 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 50.91 45.75 27.13 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 124.619 1.168 . . . . 69.57 112.553 -177.654 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -118.84 2.95 11.62 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.917 0.71 . . . . 65.76 112.917 173.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -64.18 -34.28 77.72 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 118.616 0.644 . . . . 53.95 112.211 -173.248 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -70.28 -4.46 22.06 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 119.369 -0.932 . . . . 62.8 113.289 -175.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 18.4 ptm -72.72 -25.3 61.17 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 118.552 0.614 . . . . 50.87 112.409 176.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 61.7 mt -90.35 108.28 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 106.946 -1.501 . . . . 49.93 106.946 174.779 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -105.36 136.26 45.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.922 0.392 . . . . 76.11 111.233 -173.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.1 m -78.37 120.86 23.72 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.239 -0.892 . . . . 60.48 108.724 171.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.3 t -98.26 93.07 3.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 104.189 -2.522 . . . . 68.48 104.189 167.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -61.89 124.3 20.38 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.77 -0.65 . . . . 105.57 110.705 -162.715 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.32 -28.62 14.36 Favored Glycine 0 N--CA 1.436 -1.319 0 CA-C-N 115.163 -0.926 . . . . 81.56 114.419 179.302 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.3 p -109.67 -54.97 5.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 118.379 1.09 . . . . 80.32 111.977 -179.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 167.95 -140.85 6.46 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 119.392 -1.385 . . . . 75.32 115.057 -178.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.488 ' CE2' HG21 ' A' ' 70' ' ' ILE . 94.5 m-85 -127.16 151.78 48.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.241 0.543 . . . . 49.61 110.288 -167.315 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 12.8 p -148.3 147.0 17.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 CA-C-N 115.214 -0.903 . . . . 50.7 108.622 179.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.7 mt -104.3 121.2 55.7 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 N-CA-C 106.628 -1.619 . . . . 49.57 106.628 164.276 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.6 tpp180 . . . . . 0 CA--C 1.535 0.377 0 N-CA-C 112.854 0.687 . . . . 73.09 112.854 -171.31 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . 0.514 ' O ' ' HB2' ' A' ' 1' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_