data_1cdt_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 1cdt _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.241 0.654 0 CA-C-O 121.458 0.646 . . . . 20.39 111.708 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' LYS . . . . . 0.412 ' N ' ' OD2' ' A' ' 57' ' ' ASP . 4.5 mtmt -107.38 126.16 52.12 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.0 -1.454 . . . . 21.21 107.809 179.62 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 93.8 m -126.01 141.6 51.89 Favored 'General case' 0 C--N 1.316 -0.864 0 O-C-N 125.998 2.061 . . . . 20.46 110.69 179.942 -68.677 -48.207 -104.004 104.88 2.043 104.555 -34.685 -73.815 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ASN . . . . . 0.68 ' ND2' ' NE ' ' A' ' 58' ' ' ARG . 2.6 m120 -69.28 155.51 40.29 Favored 'General case' 0 C--N 1.313 -0.991 0 O-C-N 126.149 2.156 . . . . 20.33 109.224 179.644 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.1 mttp -99.52 179.02 4.69 Favored 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 107.568 -1.271 . . . . 20.18 107.568 179.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 33.0 tp -47.68 -53.91 13.61 Favored 'General case' 0 C--O 1.246 0.892 0 O-C-N 125.734 1.896 . . . . 20.23 108.783 179.849 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.7 mp -96.31 109.96 50.08 Favored Pre-proline 0 N--CA 1.521 3.077 1 N-CA-C 95.618 -5.697 . . . . 20.46 95.618 179.142 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -60.3 -7.92 7.61 Favored 'Trans proline' 0 C--O 1.266 1.918 0 N-CA-C 120.499 3.23 . . . . 20.75 120.499 -178.671 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 pp -65.95 -15.3 18.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 N-CA-C 105.738 -1.949 . . . . 21.21 105.738 179.594 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -112.97 155.11 25.36 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 125.815 1.646 . . . . 21.53 109.571 179.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -152.19 157.02 40.91 Favored 'General case' 0 N--CA 1.437 -1.085 0 C-N-CA 128.571 2.748 . . . . 22.83 109.622 -179.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.87 151.85 51.66 Favored 'General case' 0 C--O 1.25 1.08 0 O-C-N 125.358 1.661 . . . . 22.46 111.821 179.829 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.42 148.88 23.23 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 102.749 -3.056 . . . . 22.13 102.749 179.492 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.3 m -101.02 151.72 37.7 Favored Pre-proline 0 C--N 1.307 -1.271 0 N-CA-C 116.175 1.917 . . . . 22.26 116.175 -179.455 -37.285 -76.104 -63.759 101.017 2.062 103.534 -114.87 -54.644 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -68.9 -174.0 0.68 Allowed 'Trans proline' 0 C--O 1.262 1.715 0 O-C-N 124.782 1.938 . . . . 22.67 107.481 179.472 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -95.62 139.33 32.02 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 104.866 -2.272 . . . . 23.85 104.866 179.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.53 -10.96 57.98 Favored Glycine 0 N--CA 1.485 1.932 0 N-CA-C 105.579 -3.008 . . . . 22.75 105.579 -179.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -114.05 72.02 0.77 Allowed 'General case' 0 C--N 1.32 -0.681 0 O-C-N 127.574 2.573 . . . . 22.66 105.005 179.73 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 68' ' ' HOH . 9.6 m120 -91.62 4.21 53.21 Favored 'General case' 0 C--O 1.277 2.535 0 N-CA-C 121.682 3.956 . . . . 22.27 121.682 -179.185 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . 0.343 0.2 OUTLIER -135.77 159.46 41.59 Favored 'General case' 0 N--CA 1.516 2.834 0 N-CA-C 105.868 -1.901 . . . . 21.55 105.868 179.561 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 61.4 m -97.74 159.81 14.7 Favored 'General case' 0 C--O 1.252 1.232 0 N-CA-C 104.262 -2.495 . . . . 20.89 104.262 179.546 -73.815 -34.685 -104.004 104.555 2.043 104.88 -48.207 -68.677 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -160.08 151.53 19.7 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 125.012 1.445 . . . . 20.78 112.322 179.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -121.63 131.3 54.03 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 104.975 -2.232 . . . . 20.54 104.975 179.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.5 ttt -114.68 110.35 19.62 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 106.821 -1.548 . . . . 20.58 106.821 179.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.5 mtm -121.34 147.82 45.17 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 125.338 2.494 . . . . 20.94 115.633 -179.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.94 128.89 34.86 Favored 'General case' 0 C--O 1.243 0.747 0 CA-C-N 110.991 -2.822 . . . . 21.44 106.269 179.734 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.38 -16.4 61.34 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 126.502 2.376 . . . . 22.09 112.189 -179.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' SER . . . . . 0.566 ' CB ' ' O ' ' A' ' 78' ' ' HOH . 73.2 m -56.85 90.45 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 125.663 2.649 . . . . 22.76 110.791 -179.912 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.8 -53.17 0.04 OUTLIER 'General case' 0 C--O 1.289 3.145 2 C-N-CA 139.238 7.015 . . . . 23.36 125.605 179.191 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 31' ' ' MET . 0.0 OUTLIER -98.61 -13.24 20.46 Favored 'General case' 0 C--O 1.264 1.854 0 N-CA-C 118.324 2.712 . . . . 23.34 118.324 -179.214 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' MET . . . . . 0.415 ' CB ' ' O ' ' A' ' 30' ' ' LYS . 66.2 mmm 84.12 104.83 0.05 Allowed 'General case' 0 N--CA 1.498 1.955 1 N-CA-C 96.835 -5.246 . . . . 22.91 96.835 -179.212 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.0 p -140.26 128.76 13.03 Favored Pre-proline 0 C--N 1.307 -1.273 0 O-C-N 127.667 3.104 . . . . 22.24 110.541 -179.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -68.92 132.9 25.73 Favored 'Trans proline' 0 C--N 1.321 -0.897 0 O-C-N 126.133 2.649 . . . . 21.73 109.871 -179.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . 0.27 0.9 OUTLIER -121.33 -13.7 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 CA-C-N 112.767 -2.015 . . . . 21.32 110.465 -179.613 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -159.06 150.34 20.29 Favored 'General case' 0 C--N 1.315 -0.928 0 C-N-CA 125.609 1.563 . . . . 21.19 108.197 179.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ARG . . . . . 0.483 ' NH2' ' O ' ' A' ' 75' ' ' HOH . 13.2 mtt180 -154.16 134.37 13.28 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 116.533 -1.699 . . . . 20.86 107.766 179.986 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -178.27 -150.46 8.71 Favored Glycine 0 CA--C 1.497 -1.042 0 N-CA-C 118.122 2.009 . . . . 20.75 118.122 -179.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' CYS . . . . . 0.545 ' N ' ' O2 ' ' A' ' 61' ' ' PO4 . 58.1 m -112.78 149.76 32.57 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 103.583 -2.747 . . . . 21.3 103.583 179.817 -54.644 -114.87 -63.759 103.534 2.062 101.017 -76.104 -37.285 2 2 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.8 tt -160.55 161.93 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 127.347 3.451 . . . . 20.6 111.792 -179.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -69.24 -75.43 0.11 Allowed 'General case' 0 C--N 1.304 -1.404 1 C-N-CA 131.713 4.005 . . . . 20.95 110.336 -179.904 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.5 m -120.12 158.13 22.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.658 0 CA-C-N 111.532 -2.576 . . . . 20.06 108.877 -179.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.7 t -82.7 117.55 68.88 Favored Pre-proline 0 C--O 1.244 0.794 0 O-C-N 125.382 1.676 . . . . 19.69 106.603 179.728 -165.106 71.619 86.855 100.573 2.053 102.82 113.09 -57.741 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -69.45 137.84 37.34 Favored 'Trans proline' 0 C--N 1.316 -1.151 0 C-N-CA 123.206 2.604 . . . . 19.46 114.721 -179.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.37 140.15 50.07 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 112.655 -2.066 . . . . 19.83 108.902 179.884 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -74.29 130.21 39.28 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 119.222 3.045 . . . . 19.22 119.222 -179.402 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.28 173.8 7.63 Favored 'General case' 0 C--O 1.251 1.151 0 N-CA-C 102.717 -3.068 . . . . 18.99 102.717 179.347 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.04 -45.12 94.97 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 125.039 1.462 . . . . 18.86 110.645 -179.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.8 mp -97.38 -16.11 20.38 Favored 'General case' 0 C--O 1.252 1.206 0 N-CA-C 115.871 1.804 . . . . 18.79 115.871 -179.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . 0.253 0.2 OUTLIER -130.19 116.05 35.05 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 CA-C-O 123.71 1.719 . . . . 18.77 111.867 -179.611 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -102.44 160.95 14.1 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 110.57 -3.014 . . . . 18.8 109.76 179.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -144.86 137.93 26.65 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 125.574 1.55 . . . . 18.77 109.415 -179.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . 0.272 0.3 OUTLIER -127.87 129.66 69.89 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 N-CA-C 101.664 -3.458 . . . . 18.89 101.664 179.198 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 66.0 m -115.84 151.81 34.55 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 126.121 2.138 . . . . 19.13 110.412 -179.553 -57.741 113.09 86.855 102.82 2.053 100.573 71.619 -165.106 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 25.7 p -151.17 173.32 14.55 Favored 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 115.954 -1.974 . . . . 18.87 106.754 -179.784 57.964 93.058 90.693 101.053 2.031 106.623 91.088 58.706 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.6 p -140.35 27.14 2.12 Favored 'General case' 0 C--O 1.256 1.427 0 N-CA-C 117.337 2.347 . . . . 18.88 117.337 -179.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 53.4 m -108.82 138.43 45.15 Favored 'General case' 0 C--O 1.255 1.366 0 CA-C-O 115.89 -2.005 . . . . 18.96 106.585 179.295 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ASP . . . . . 0.412 ' OD2' ' N ' ' A' ' 2' ' ' LYS . 83.2 m-20 -41.79 129.29 3.41 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-O 123.595 1.664 . . . . 19.35 110.308 -179.801 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ARG . . . . . 0.68 ' NE ' ' ND2' ' A' ' 4' ' ' ASN . 49.8 mtp180 49.29 40.89 19.28 Favored 'General case' 0 C--O 1.253 1.273 0 CA-C-N 111.354 -2.657 . . . . 19.62 117.005 179.683 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 26.4 p -82.07 -18.6 42.52 Favored 'General case' 0 C--O 1.253 1.241 0 C-N-CA 124.102 0.961 . . . . 18.52 113.395 179.647 58.706 91.088 90.693 106.623 2.031 101.053 93.058 57.964 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 . . . . . 0 C--O 1.247 0.962 0 CA-C-O 116.727 -1.606 . . . . 18.25 111.732 179.984 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 2.5 pt? . . . . . 0 C--O 1.243 0.748 0 N-CA-C 108.077 -1.083 . . . . 20.14 108.077 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.04 131.7 48.33 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 126.703 2.502 . . . . 20.09 105.576 179.52 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 71.8 m -133.16 140.31 47.52 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 113.186 -1.825 . . . . 20.18 108.168 179.997 -62.744 -53.164 -106.369 107.332 2.013 106.75 -33.734 -78.36 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -73.32 149.08 42.91 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 126.963 2.664 . . . . 19.89 111.092 179.666 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -96.95 178.68 5.2 Favored 'General case' 0 C--O 1.254 1.315 0 O-C-N 125.323 1.639 . . . . 19.77 107.461 179.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 11.0 tp -41.35 -64.19 0.59 Allowed 'General case' 0 N--CA 1.488 1.452 0 CA-C-O 117.301 -1.333 . . . . 19.85 110.211 -179.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 13.0 mm -87.51 112.68 50.03 Favored Pre-proline 0 N--CA 1.525 3.308 1 N-CA-C 94.194 -6.224 . . . . 20.13 94.194 178.914 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -75.45 25.38 0.39 Allowed 'Trans proline' 0 C--O 1.27 2.093 0 N-CA-C 120.341 3.17 . . . . 20.43 120.341 -178.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 pt -92.98 -1.21 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 CA-C-O 124.932 2.301 . . . . 20.79 106.119 179.891 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -129.53 151.35 50.24 Favored 'General case' 0 C--O 1.243 0.726 0 CA-C-N 110.284 -3.144 . . . . 21.22 107.049 179.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -147.76 158.74 44.17 Favored 'General case' 0 C--N 1.312 -1.039 0 O-C-N 125.33 1.644 . . . . 21.59 108.68 -179.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 6.5 ptpt -118.47 166.1 13.09 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 104.372 -2.455 . . . . 22.16 104.372 179.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.07 147.06 30.44 Favored 'General case' 0 C--O 1.268 2.058 1 N-CA-C 96.759 -5.275 . . . . 22.19 96.759 179.223 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 13.1 m -99.92 137.61 20.17 Favored Pre-proline 0 C--N 1.31 -1.146 1 N-CA-C 123.233 4.531 . . . . 21.96 123.233 -178.872 -46.0 -66.475 -79.39 105.234 2.029 105.325 -110.729 -56.804 2 2 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.07 162.79 10.81 Favored 'Trans proline' 0 C--O 1.258 1.491 0 C-N-CA 121.965 1.777 . . . . 22.27 107.726 179.163 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -64.99 144.76 57.08 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 125.449 1.718 . . . . 23.34 107.278 179.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 85.74 1.57 87.22 Favored Glycine 0 N--CA 1.483 1.825 0 N-CA-C 108.103 -1.999 . . . . 22.29 108.103 -179.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -118.3 84.79 2.24 Favored 'General case' 0 N--CA 1.499 1.996 1 N-CA-C 97.416 -5.031 . . . . 22.18 97.416 179.295 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ASN . . . . . 0.543 ' N ' ' ND2' ' B' ' 19' ' ' ASN . 0.0 OUTLIER -104.59 -4.27 22.78 Favored 'General case' 0 C--O 1.247 0.948 0 CA-C-N 109.461 -3.518 . . . . 21.88 112.256 -179.008 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mp -124.06 157.95 33.31 Favored 'General case' 0 C--N 1.307 -1.27 0 C-N-CA 125.711 1.604 . . . . 20.99 114.577 179.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' CYS . . . . . . . . . . . . . 33.3 m -117.33 157.77 25.54 Favored 'General case' 0 CA--C 1.567 1.604 0 N-CA-C 101.201 -3.629 . . . . 20.48 101.201 178.86 -78.36 -33.734 -106.369 106.75 2.013 107.332 -53.164 -62.744 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -163.25 162.21 25.18 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-O 125.14 2.4 . . . . 20.54 112.654 179.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.87 153.99 36.42 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 111.714 -2.494 . . . . 20.65 104.344 179.579 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 10.6 ttt -137.77 109.18 6.92 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 101.73 -3.433 . . . . 20.93 101.73 179.419 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 19.1 mtm -122.17 150.06 42.76 Favored 'General case' 0 C--N 1.319 -0.735 0 O-C-N 127.535 3.022 . . . . 21.45 114.086 -179.612 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 9.1 mt -96.61 126.99 42.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 113.259 -1.791 . . . . 22.17 108.266 179.665 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' B' ' 29' ' ' LYS . . . -60.39 -21.01 61.68 Favored 'General case' 0 C--N 1.316 -0.883 0 O-C-N 125.82 1.95 . . . . 22.92 111.827 -179.935 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' SER . . . . . 0.543 ' O ' ' CB ' ' B' ' 29' ' ' LYS . 0.2 OUTLIER -44.66 71.86 0.0 OUTLIER 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 115.695 1.739 . . . . 23.53 115.695 -179.654 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LYS . . . . . 0.543 ' CB ' ' O ' ' B' ' 28' ' ' SER . 0.0 OUTLIER 108.25 -94.99 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 104.845 -2.28 . . . . 24.4 104.845 179.596 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' LYS . . . . . 0.459 ' N ' ' CG ' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -142.65 115.37 8.65 Favored 'General case' 0 C--N 1.31 -1.135 0 O-C-N 127.154 2.784 . . . . 23.57 109.801 -179.815 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -10.87 76.53 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.553 0 N-CA-C 119.023 2.971 . . . . 23.17 119.023 179.785 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 6.3 p -83.89 129.95 57.08 Favored Pre-proline 0 N--CA 1.512 2.627 1 N-CA-C 96.224 -5.473 . . . . 22.65 96.224 178.509 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -74.16 145.2 34.61 Favored 'Trans proline' 0 C--N 1.301 -1.946 0 C-N-CA 122.721 2.28 . . . . 22.09 108.365 -179.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 11.4 m -133.65 1.13 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 N-CA-C 114.769 1.396 . . . . 21.6 114.769 -179.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.23 142.21 4.84 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 105.164 -2.161 . . . . 21.02 105.164 179.508 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 6.2 mtm-85 -150.97 138.51 19.6 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 115.398 -2.239 . . . . 20.57 106.047 -179.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.61 -158.97 25.49 Favored Glycine 0 C--N 1.313 -0.731 0 O-C-N 127.292 2.87 . . . . 20.37 112.144 179.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 62.7 m -100.89 139.56 36.4 Favored 'General case' 0 C--O 1.253 1.268 0 N-CA-C 103.726 -2.694 . . . . 20.86 103.726 179.451 -56.804 -110.729 -79.39 105.325 2.029 105.234 -66.475 -46.0 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.19 169.89 20.4 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.169 0 O-C-N 127.103 2.752 . . . . 20.11 105.696 179.804 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -102.95 -43.51 5.5 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 107.26 -1.385 . . . . 19.81 107.26 179.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 11.2 m -128.33 140.51 49.0 Favored 'Isoleucine or valine' 0 C--O 1.242 0.69 0 CA-C-N 112.61 -2.087 . . . . 19.4 108.323 179.864 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 8.8 t -71.6 118.05 62.91 Favored Pre-proline 0 C--N 1.32 -0.705 0 O-C-N 126.229 2.205 . . . . 19.04 106.957 179.694 -163.002 64.17 87.071 100.64 2.036 103.783 112.424 -46.985 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -68.51 143.74 58.43 Favored 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 123.786 2.99 . . . . 18.81 114.242 -179.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.04 143.53 43.46 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 113.325 -1.762 . . . . 18.85 110.369 -179.647 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -79.61 138.75 37.53 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-O 126.007 2.813 . . . . 18.83 115.113 -179.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 7.4 t -95.48 171.1 8.9 Favored 'General case' 0 C--O 1.262 1.728 0 CA-C-N 109.331 -3.577 . . . . 19.08 101.381 179.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.7 -28.88 70.2 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 119.062 0.847 . . . . 18.95 111.856 -179.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.14 -18.23 8.12 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 116.291 -1.814 . . . . 19.24 112.738 -179.937 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -115.19 101.48 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 CA-C-O 125.735 2.683 . . . . 19.2 114.637 -179.295 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -92.37 139.07 30.98 Favored 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 117.619 2.451 . . . . 19.22 117.619 -179.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -119.25 141.38 48.99 Favored 'General case' 0 C--O 1.251 1.165 0 C-N-CA 125.836 1.654 . . . . 19.21 109.753 179.526 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . 0.268 0.7 OUTLIER -144.22 115.18 2.27 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 N-CA-C 104.698 -2.334 . . . . 19.01 104.698 179.16 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 16.4 m -107.92 149.18 28.64 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 117.1 2.259 . . . . 18.78 117.1 -179.533 -46.985 112.424 87.071 103.783 2.036 100.64 64.17 -163.002 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 24.6 p -151.38 154.82 37.41 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 112.496 -2.138 . . . . 18.56 107.435 179.829 56.84 98.943 104.361 103.541 2.043 105.042 92.002 59.191 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' SER . . . . . 0.655 ' OG ' ' O ' ' B' ' 62' ' ' HOH . 0.9 OUTLIER -110.28 19.36 18.95 Favored 'General case' 0 C--O 1.261 1.709 0 N-CA-C 118.692 2.849 . . . . 18.42 118.692 -179.459 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' THR . . . . . 0.446 ' O ' ' SG ' ' B' ' 59' ' ' CYS . 98.0 m -119.61 135.23 54.89 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-N 122.166 2.257 . . . . 18.27 114.222 179.855 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -27.52 106.13 0.03 OUTLIER 'General case' 0 C--N 1.309 -1.156 0 C-N-CA 129.286 3.034 . . . . 18.34 116.841 179.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.42 34.63 12.74 Favored 'General case' 0 C--O 1.258 1.545 0 N-CA-C 114.914 1.449 . . . . 18.52 114.914 179.538 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' CYS . . . . . 0.446 ' SG ' ' O ' ' B' ' 56' ' ' THR . 26.6 p -81.64 -28.2 33.74 Favored 'General case' 0 C--O 1.256 1.422 0 N-CA-C 114.885 1.439 . . . . 18.05 114.885 -179.655 59.191 92.002 104.361 105.042 2.043 103.541 98.943 56.84 2 2 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 30.5 p-10 . . . . . 0 C--N 1.302 -1.464 0 C-N-CA 125.229 1.412 . . . . 17.72 114.5 -179.702 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' PO4 . . . . . 0.545 ' O2 ' ' N ' ' A' ' 38' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' PO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' HOH . . . . . 0.497 ' O ' ' ND2' ' A' ' 19' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' HOH . . . . . 0.483 ' O ' ' NH2' ' A' ' 36' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' HOH . . . . . 0.566 ' O ' ' CB ' ' A' ' 28' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' HOH . . . . . 0.655 ' O ' ' OG ' ' B' ' 55' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.241 0.654 0 CA-C-O 121.458 0.646 . . . . 20.39 111.708 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' LYS . . . . . 0.59 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 4.5 mtmt -107.38 126.16 52.12 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.0 -1.454 . . . . 21.21 107.809 179.62 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 93.8 m -126.01 141.6 51.89 Favored 'General case' 0 C--N 1.316 -0.864 0 O-C-N 125.998 2.061 . . . . 20.46 110.69 179.942 -68.677 -48.207 -104.004 104.88 2.043 104.555 -34.685 -73.815 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ASN . . . . . 0.521 ' OD1' ' NE ' ' A' ' 58' ' ' ARG . 51.0 m-20 -69.28 155.51 40.29 Favored 'General case' 0 C--N 1.313 -0.991 0 O-C-N 126.149 2.156 . . . . 20.33 109.224 179.644 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.1 mttp -99.52 179.02 4.69 Favored 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 107.568 -1.271 . . . . 20.18 107.568 179.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LEU . . . . . 0.404 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 33.0 tp -47.68 -53.91 13.61 Favored 'General case' 0 C--O 1.246 0.892 0 O-C-N 125.734 1.896 . . . . 20.23 108.783 179.849 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ILE . . . . . 0.657 HG22 HG13 ' A' ' 9' ' ' ILE . 1.7 mp -96.31 109.96 50.08 Favored Pre-proline 0 N--CA 1.521 3.077 1 N-CA-C 95.618 -5.697 . . . . 20.46 95.618 179.142 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 8' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 20.1 Cg_exo -60.3 -7.92 7.61 Favored 'Trans proline' 0 C--O 1.266 1.918 0 N-CA-C 120.499 3.23 . . . . 20.75 120.499 -178.671 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ILE . . . . . 0.657 HG13 HG22 ' A' ' 7' ' ' ILE . 1.4 pp -65.95 -15.3 18.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 N-CA-C 105.738 -1.949 . . . . 21.21 105.738 179.594 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -112.97 155.11 25.36 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 125.815 1.646 . . . . 21.53 109.571 179.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' TYR . . . . . 0.59 ' CE2' ' HD2' ' A' ' 2' ' ' LYS . 36.9 p90 -152.19 157.02 40.91 Favored 'General case' 0 N--CA 1.437 -1.085 0 C-N-CA 128.571 2.748 . . . . 22.83 109.622 -179.888 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.87 151.85 51.66 Favored 'General case' 0 C--O 1.25 1.08 0 O-C-N 125.358 1.661 . . . . 22.46 111.821 179.829 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.42 148.88 23.23 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 102.749 -3.056 . . . . 22.13 102.749 179.492 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.3 m -101.02 151.72 37.7 Favored Pre-proline 0 C--N 1.307 -1.271 0 N-CA-C 116.175 1.917 . . . . 22.26 116.175 -179.455 -37.285 -76.104 -63.759 101.017 2.062 103.534 -114.87 -54.644 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' PRO . . . . . 0.773 ' HG2' ' HG3' ' A' ' 18' ' ' LYS . 22.1 Cg_endo -68.9 -174.0 0.68 Allowed 'Trans proline' 0 C--O 1.262 1.715 0 O-C-N 124.782 1.938 . . . . 22.67 107.481 179.472 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -95.62 139.33 32.02 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 104.866 -2.272 . . . . 23.85 104.866 179.715 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.53 -10.96 57.98 Favored Glycine 0 N--CA 1.485 1.932 0 N-CA-C 105.579 -3.008 . . . . 22.75 105.579 -179.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . 0.773 ' HG3' ' HG2' ' A' ' 15' ' ' PRO . 64.6 mmtt -114.05 72.02 0.77 Allowed 'General case' 0 C--N 1.32 -0.681 0 O-C-N 127.574 2.573 . . . . 22.66 105.005 179.73 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 68' ' ' HOH . 9.6 m120 -91.62 4.21 53.21 Favored 'General case' 0 C--O 1.277 2.535 0 N-CA-C 121.682 3.956 . . . . 22.27 121.682 -179.185 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . 0.343 0.2 OUTLIER -135.77 159.46 41.59 Favored 'General case' 0 N--CA 1.516 2.834 0 N-CA-C 105.868 -1.901 . . . . 21.55 105.868 179.561 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 61.4 m -97.74 159.81 14.7 Favored 'General case' 0 C--O 1.252 1.232 0 N-CA-C 104.262 -2.495 . . . . 20.89 104.262 179.546 -73.815 -34.685 -104.004 104.555 2.043 104.88 -48.207 -68.677 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -160.08 151.53 19.7 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 125.012 1.445 . . . . 20.78 112.322 179.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LYS . . . . . 0.466 ' HE2' ' HG3' ' A' ' 33' ' ' PRO . 7.4 tttt -121.63 131.3 54.03 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 104.975 -2.232 . . . . 20.54 104.975 179.587 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.5 ttt -114.68 110.35 19.62 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 106.821 -1.548 . . . . 20.58 106.821 179.982 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' MET . . . . . 0.451 ' SD ' ' HD3' ' A' ' 23' ' ' LYS . 4.5 mtm -121.34 147.82 45.17 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 125.338 2.494 . . . . 20.94 115.633 -179.678 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . 0.476 ' CD1' ' HB2' ' A' ' 28' ' ' SER . 0.2 OUTLIER -83.94 128.89 34.86 Favored 'General case' 0 C--O 1.243 0.747 0 CA-C-N 110.991 -2.822 . . . . 21.44 106.269 179.734 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.38 -16.4 61.34 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 126.502 2.376 . . . . 22.09 112.189 -179.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' SER . . . . . 0.799 ' HB3' ' O ' ' A' ' 78' ' ' HOH . 73.2 m -56.85 90.45 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 125.663 2.649 . . . . 22.76 110.791 -179.912 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LYS . . . . . 0.75 ' HD3' ' O ' ' A' ' 79' ' ' HOH . 0.1 OUTLIER 57.8 -53.17 0.04 OUTLIER 'General case' 0 C--O 1.289 3.145 2 C-N-CA 139.238 7.015 . . . . 23.36 125.605 179.191 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LYS . . . . . 0.734 ' N ' ' HD2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -98.61 -13.24 20.46 Favored 'General case' 0 C--O 1.264 1.854 0 N-CA-C 118.324 2.712 . . . . 23.34 118.324 -179.214 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 31' ' ' MET . . . . . 0.599 ' HB2' ' O ' ' A' ' 30' ' ' LYS . 66.2 mmm 84.12 104.83 0.05 Allowed 'General case' 0 N--CA 1.498 1.955 1 N-CA-C 96.835 -5.246 . . . . 22.91 96.835 -179.212 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 32' ' ' VAL . . . . . 0.437 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 12.0 p -140.26 128.76 13.03 Favored Pre-proline 0 C--N 1.307 -1.273 0 O-C-N 127.667 3.104 . . . . 22.24 110.541 -179.629 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' PRO . . . . . 0.466 ' HG3' ' HE2' ' A' ' 23' ' ' LYS . 12.5 Cg_exo -68.92 132.9 25.73 Favored 'Trans proline' 0 C--N 1.321 -0.897 0 O-C-N 126.133 2.649 . . . . 21.73 109.871 -179.846 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . 0.27 0.9 OUTLIER -121.33 -13.7 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 CA-C-N 112.767 -2.015 . . . . 21.32 110.465 -179.613 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -159.06 150.34 20.29 Favored 'General case' 0 C--N 1.315 -0.928 0 C-N-CA 125.609 1.563 . . . . 21.19 108.197 179.667 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -154.16 134.37 13.28 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 116.533 -1.699 . . . . 20.86 107.766 179.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . 0.442 ' HA3' ' O4 ' ' A' ' 61' ' ' PO4 . . . -178.27 -150.46 8.71 Favored Glycine 0 CA--C 1.497 -1.042 0 N-CA-C 118.122 2.009 . . . . 20.75 118.122 -179.886 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 58.1 m -112.78 149.76 32.57 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 103.583 -2.747 . . . . 21.3 103.583 179.817 -54.644 -114.87 -63.759 103.534 2.062 101.017 -76.104 -37.285 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.8 tt -160.55 161.93 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 127.347 3.451 . . . . 20.6 111.792 -179.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -69.24 -75.43 0.11 Allowed 'General case' 0 C--N 1.304 -1.404 1 C-N-CA 131.713 4.005 . . . . 20.95 110.336 -179.904 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.5 m -120.12 158.13 22.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.658 0 CA-C-N 111.532 -2.576 . . . . 20.06 108.877 -179.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' CYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 11.7 t -82.7 117.55 68.88 Favored Pre-proline 0 C--O 1.244 0.794 0 O-C-N 125.382 1.676 . . . . 19.69 106.603 179.728 -165.106 71.619 86.855 100.573 2.053 102.82 113.09 -57.741 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 13.6 Cg_exo -69.45 137.84 37.34 Favored 'Trans proline' 0 C--N 1.316 -1.151 0 C-N-CA 123.206 2.604 . . . . 19.46 114.721 -179.752 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.37 140.15 50.07 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 112.655 -2.066 . . . . 19.83 108.902 179.884 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ASN . . . . . 0.629 ' H ' ' HB2' ' B' ' 55' ' ' SER . 42.5 m-20 -74.29 130.21 39.28 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 119.222 3.045 . . . . 19.22 119.222 -179.402 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.28 173.8 7.63 Favored 'General case' 0 C--O 1.251 1.151 0 N-CA-C 102.717 -3.068 . . . . 18.99 102.717 179.347 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.04 -45.12 94.97 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 125.039 1.462 . . . . 18.86 110.645 -179.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.8 mp -97.38 -16.11 20.38 Favored 'General case' 0 C--O 1.252 1.206 0 N-CA-C 115.871 1.804 . . . . 18.79 115.871 -179.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . 0.253 0.2 OUTLIER -130.19 116.05 35.05 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 CA-C-O 123.71 1.719 . . . . 18.77 111.867 -179.611 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -102.44 160.95 14.1 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 110.57 -3.014 . . . . 18.8 109.76 179.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -144.86 137.93 26.65 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 125.574 1.55 . . . . 18.77 109.415 -179.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . 0.272 0.3 OUTLIER -127.87 129.66 69.89 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 N-CA-C 101.664 -3.458 . . . . 18.89 101.664 179.198 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 66.0 m -115.84 151.81 34.55 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 126.121 2.138 . . . . 19.13 110.412 -179.553 -57.741 113.09 86.855 102.82 2.053 100.573 71.619 -165.106 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 25.7 p -151.17 173.32 14.55 Favored 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 115.954 -1.974 . . . . 18.87 106.754 -179.784 57.964 93.058 90.693 101.053 2.031 106.623 91.088 58.706 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.6 p -140.35 27.14 2.12 Favored 'General case' 0 C--O 1.256 1.427 0 N-CA-C 117.337 2.347 . . . . 18.88 117.337 -179.728 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 53.4 m -108.82 138.43 45.15 Favored 'General case' 0 C--O 1.255 1.366 0 CA-C-O 115.89 -2.005 . . . . 18.96 106.585 179.295 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -41.79 129.29 3.41 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-O 123.595 1.664 . . . . 19.35 110.308 -179.801 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ARG . . . . . 0.521 ' NE ' ' OD1' ' A' ' 4' ' ' ASN . 49.8 mtp180 49.29 40.89 19.28 Favored 'General case' 0 C--O 1.253 1.273 0 CA-C-N 111.354 -2.657 . . . . 19.62 117.005 179.683 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 26.4 p -82.07 -18.6 42.52 Favored 'General case' 0 C--O 1.253 1.241 0 C-N-CA 124.102 0.961 . . . . 18.52 113.395 179.647 58.706 91.088 90.693 106.623 2.031 101.053 93.058 57.964 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 . . . . . 0 C--O 1.247 0.962 0 CA-C-O 116.727 -1.606 . . . . 18.25 111.732 179.984 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 2.5 pt? . . . . . 0 C--O 1.243 0.748 0 N-CA-C 108.077 -1.083 . . . . 20.14 108.077 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' LYS . . . . . 0.458 ' HG2' ' CD2' ' B' ' 11' ' ' TYR . 0.0 OUTLIER -102.04 131.7 48.33 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 126.703 2.502 . . . . 20.09 105.576 179.52 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 71.8 m -133.16 140.31 47.52 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 113.186 -1.825 . . . . 20.18 108.168 179.997 -62.744 -53.164 -106.369 107.332 2.013 106.75 -33.734 -78.36 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ASN . . . . . 0.748 ' OD1' ' HG2' ' B' ' 58' ' ' ARG . 91.9 m-20 -73.32 149.08 42.91 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 126.963 2.664 . . . . 19.89 111.092 179.666 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -96.95 178.68 5.2 Favored 'General case' 0 C--O 1.254 1.315 0 O-C-N 125.323 1.639 . . . . 19.77 107.461 179.42 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 11.0 tp -41.35 -64.19 0.59 Allowed 'General case' 0 N--CA 1.488 1.452 0 CA-C-O 117.301 -1.333 . . . . 19.85 110.211 -179.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 13.0 mm -87.51 112.68 50.03 Favored Pre-proline 0 N--CA 1.525 3.308 1 N-CA-C 94.194 -6.224 . . . . 20.13 94.194 178.914 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 8' ' ' PRO . . . . . 0.592 ' HG3' ' NH1' ' B' ' 36' ' ' ARG . 10.4 Cg_endo -75.45 25.38 0.39 Allowed 'Trans proline' 0 C--O 1.27 2.093 0 N-CA-C 120.341 3.17 . . . . 20.43 120.341 -178.486 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 pt -92.98 -1.21 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 CA-C-O 124.932 2.301 . . . . 20.79 106.119 179.891 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -129.53 151.35 50.24 Favored 'General case' 0 C--O 1.243 0.726 0 CA-C-N 110.284 -3.144 . . . . 21.22 107.049 179.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' TYR . . . . . 0.477 ' CG ' ' HD2' ' B' ' 58' ' ' ARG . 45.0 p90 -147.76 158.74 44.17 Favored 'General case' 0 C--N 1.312 -1.039 0 O-C-N 125.33 1.644 . . . . 21.59 108.68 -179.83 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 6.5 ptpt -118.47 166.1 13.09 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 104.372 -2.455 . . . . 22.16 104.372 179.791 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.07 147.06 30.44 Favored 'General case' 0 C--O 1.268 2.058 1 N-CA-C 96.759 -5.275 . . . . 22.19 96.759 179.223 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 14' ' ' CYS . . . . . 0.537 ' HB3' ' HB3' ' B' ' 18' ' ' LYS . 13.1 m -99.92 137.61 20.17 Favored Pre-proline 0 C--N 1.31 -1.146 1 N-CA-C 123.233 4.531 . . . . 21.96 123.233 -178.872 -46.0 -66.475 -79.39 105.234 2.029 105.325 -110.729 -56.804 3 3 . 1 . 001 ecloud build full ' B' B ' 15' ' ' PRO . . . . . 0.481 ' O ' ' HB2' ' B' ' 18' ' ' LYS . 19.0 Cg_endo -58.07 162.79 10.81 Favored 'Trans proline' 0 C--O 1.258 1.491 0 C-N-CA 121.965 1.777 . . . . 22.27 107.726 179.163 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -64.99 144.76 57.08 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 125.449 1.718 . . . . 23.34 107.278 179.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 85.74 1.57 87.22 Favored Glycine 0 N--CA 1.483 1.825 0 N-CA-C 108.103 -1.999 . . . . 22.29 108.103 -179.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' LYS . . . . . 0.537 ' HB3' ' HB3' ' B' ' 14' ' ' CYS . 2.1 mptm? -118.3 84.79 2.24 Favored 'General case' 0 N--CA 1.499 1.996 1 N-CA-C 97.416 -5.031 . . . . 22.18 97.416 179.295 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -104.59 -4.27 22.78 Favored 'General case' 0 C--O 1.247 0.948 0 CA-C-N 109.461 -3.518 . . . . 21.88 112.256 -179.008 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' LEU . . . . . 0.427 ' HB3' HG22 ' B' ' 39' ' ' ILE . 2.0 mp -124.06 157.95 33.31 Favored 'General case' 0 C--N 1.307 -1.27 0 C-N-CA 125.711 1.604 . . . . 20.99 114.577 179.865 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 21' ' ' CYS . . . . . . . . . . . . . 33.3 m -117.33 157.77 25.54 Favored 'General case' 0 CA--C 1.567 1.604 0 N-CA-C 101.201 -3.629 . . . . 20.48 101.201 178.86 -78.36 -33.734 -106.369 106.75 2.013 107.332 -53.164 -62.744 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' TYR . . . . . 0.688 ' CD2' ' HB ' ' B' ' 39' ' ' ILE . 11.1 p90 -163.25 162.21 25.18 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-O 125.14 2.4 . . . . 20.54 112.654 179.985 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 23' ' ' LYS . . . . . 0.535 ' HD3' ' HB3' ' B' ' 33' ' ' PRO . 0.0 OUTLIER -120.87 153.99 36.42 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 111.714 -2.494 . . . . 20.65 104.344 179.579 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 10.6 ttt -137.77 109.18 6.92 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 101.73 -3.433 . . . . 20.93 101.73 179.419 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' MET . . . . . 0.428 ' SD ' ' HB3' ' B' ' 31' ' ' MET . 19.1 mtm -122.17 150.06 42.76 Favored 'General case' 0 C--N 1.319 -0.735 0 O-C-N 127.535 3.022 . . . . 21.45 114.086 -179.612 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 9.1 mt -96.61 126.99 42.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 113.259 -1.791 . . . . 22.17 108.266 179.665 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' B' ' 29' ' ' LYS . . . -60.39 -21.01 61.68 Favored 'General case' 0 C--N 1.316 -0.883 0 O-C-N 125.82 1.95 . . . . 22.92 111.827 -179.935 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 28' ' ' SER . . . . . 0.853 ' O ' ' HB3' ' B' ' 29' ' ' LYS . 0.2 OUTLIER -44.66 71.86 0.0 OUTLIER 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 115.695 1.739 . . . . 23.53 115.695 -179.654 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LYS . . . . . 0.853 ' HB3' ' O ' ' B' ' 28' ' ' SER . 0.0 OUTLIER 108.25 -94.99 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 104.845 -2.28 . . . . 24.4 104.845 179.596 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 30' ' ' LYS . . . . . 0.648 ' H ' ' HD2' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -142.65 115.37 8.65 Favored 'General case' 0 C--N 1.31 -1.135 0 O-C-N 127.154 2.784 . . . . 23.57 109.801 -179.815 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 31' ' ' MET . . . . . 0.428 ' HB3' ' SD ' ' B' ' 25' ' ' MET . 0.0 OUTLIER -10.87 76.53 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.553 0 N-CA-C 119.023 2.971 . . . . 23.17 119.023 179.785 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 6.3 p -83.89 129.95 57.08 Favored Pre-proline 0 N--CA 1.512 2.627 1 N-CA-C 96.224 -5.473 . . . . 22.65 96.224 178.509 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 33' ' ' PRO . . . . . 0.535 ' HB3' ' HD3' ' B' ' 23' ' ' LYS . 1.1 Cg_endo -74.16 145.2 34.61 Favored 'Trans proline' 0 C--N 1.301 -1.946 0 C-N-CA 122.721 2.28 . . . . 22.09 108.365 -179.833 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 11.4 m -133.65 1.13 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 N-CA-C 114.769 1.396 . . . . 21.6 114.769 -179.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.23 142.21 4.84 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 105.164 -2.161 . . . . 21.02 105.164 179.508 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 36' ' ' ARG . . . . . 0.592 ' NH1' ' HG3' ' B' ' 8' ' ' PRO . 6.2 mtm-85 -150.97 138.51 19.6 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 115.398 -2.239 . . . . 20.57 106.047 -179.721 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.61 -158.97 25.49 Favored Glycine 0 C--N 1.313 -0.731 0 O-C-N 127.292 2.87 . . . . 20.37 112.144 179.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 62.7 m -100.89 139.56 36.4 Favored 'General case' 0 C--O 1.253 1.268 0 N-CA-C 103.726 -2.694 . . . . 20.86 103.726 179.451 -56.804 -110.729 -79.39 105.325 2.029 105.234 -66.475 -46.0 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' ILE . . . . . 0.688 ' HB ' ' CD2' ' B' ' 22' ' ' TYR . 0.0 OUTLIER -135.19 169.89 20.4 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.169 0 O-C-N 127.103 2.752 . . . . 20.11 105.696 179.804 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 40' ' ' ASN . . . . . 0.583 ' H ' HD12 ' B' ' 39' ' ' ILE . 19.6 p-10 -102.95 -43.51 5.5 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 107.26 -1.385 . . . . 19.81 107.26 179.816 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 11.2 m -128.33 140.51 49.0 Favored 'Isoleucine or valine' 0 C--O 1.242 0.69 0 CA-C-N 112.61 -2.087 . . . . 19.4 108.323 179.864 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' CYS . . . . . 0.426 ' HA ' ' HD3' ' B' ' 43' ' ' PRO . 8.8 t -71.6 118.05 62.91 Favored Pre-proline 0 C--N 1.32 -0.705 0 O-C-N 126.229 2.205 . . . . 19.04 106.957 179.694 -163.002 64.17 87.071 100.64 2.036 103.783 112.424 -46.985 2 2 . 1 . 001 ecloud build full ' B' B ' 43' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' B' ' 42' ' ' CYS . 9.7 Cg_exo -68.51 143.74 58.43 Favored 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 123.786 2.99 . . . . 18.81 114.242 -179.616 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 44' ' ' LYS . . . . . 0.472 ' N ' ' HD3' ' B' ' 44' ' ' LYS . 0.1 OUTLIER -75.04 143.53 43.46 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 113.325 -1.762 . . . . 18.85 110.369 -179.647 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -79.61 138.75 37.53 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-O 126.007 2.813 . . . . 18.83 115.113 -179.413 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' SER . . . . . 0.558 ' HB3' HG22 ' B' ' 49' ' ' VAL . 7.4 t -95.48 171.1 8.9 Favored 'General case' 0 C--O 1.262 1.728 0 CA-C-N 109.331 -3.577 . . . . 19.08 101.381 179.186 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.7 -28.88 70.2 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 119.062 0.847 . . . . 18.95 111.856 -179.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.14 -18.23 8.12 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 116.291 -1.814 . . . . 19.24 112.738 -179.937 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 49' ' ' VAL . . . . . 0.558 HG22 ' HB3' ' B' ' 46' ' ' SER . 0.6 OUTLIER -115.19 101.48 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 CA-C-O 125.735 2.683 . . . . 19.2 114.637 -179.295 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -92.37 139.07 30.98 Favored 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 117.619 2.451 . . . . 19.22 117.619 -179.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -119.25 141.38 48.99 Favored 'General case' 0 C--O 1.251 1.165 0 C-N-CA 125.836 1.654 . . . . 19.21 109.753 179.526 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . 0.268 0.7 OUTLIER -144.22 115.18 2.27 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 N-CA-C 104.698 -2.334 . . . . 19.01 104.698 179.16 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 16.4 m -107.92 149.18 28.64 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 117.1 2.259 . . . . 18.78 117.1 -179.533 -46.985 112.424 87.071 103.783 2.036 100.64 64.17 -163.002 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 24.6 p -151.38 154.82 37.41 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 112.496 -2.138 . . . . 18.56 107.435 179.829 56.84 98.943 104.361 103.541 2.043 105.042 92.002 59.191 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' SER . . . . . 0.629 ' HB2' ' H ' ' A' ' 45' ' ' ASN . 0.9 OUTLIER -110.28 19.36 18.95 Favored 'General case' 0 C--O 1.261 1.709 0 N-CA-C 118.692 2.849 . . . . 18.42 118.692 -179.459 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 56' ' ' THR . . . . . 0.446 ' O ' ' SG ' ' B' ' 59' ' ' CYS . 98.0 m -119.61 135.23 54.89 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-N 122.166 2.257 . . . . 18.27 114.222 179.855 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -27.52 106.13 0.03 OUTLIER 'General case' 0 C--N 1.309 -1.156 0 C-N-CA 129.286 3.034 . . . . 18.34 116.841 179.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' ARG . . . . . 0.748 ' HG2' ' OD1' ' B' ' 4' ' ' ASN . 0.0 OUTLIER 63.42 34.63 12.74 Favored 'General case' 0 C--O 1.258 1.545 0 N-CA-C 114.914 1.449 . . . . 18.52 114.914 179.538 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 59' ' ' CYS . . . . . 0.446 ' SG ' ' O ' ' B' ' 56' ' ' THR . 26.6 p -81.64 -28.2 33.74 Favored 'General case' 0 C--O 1.256 1.422 0 N-CA-C 114.885 1.439 . . . . 18.05 114.885 -179.655 59.191 92.002 104.361 105.042 2.043 103.541 98.943 56.84 2 2 . 1 . 001 ecloud build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 30.5 p-10 . . . . . 0 C--N 1.302 -1.464 0 C-N-CA 125.229 1.412 . . . . 17.72 114.5 -179.702 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 61' ' ' PO4 . . . . . 0.442 ' O4 ' ' HA3' ' A' ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' PO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 64' ' ' HOH . . . . . 0.472 ' O ' ' HB3' ' A' ' 58' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 68' ' ' HOH . . . . . 0.497 ' O ' ' ND2' ' A' ' 19' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 78' ' ' HOH . . . . . 0.799 ' O ' ' HB3' ' A' ' 28' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' HOH . . . . . 0.75 ' O ' ' HD3' ' A' ' 29' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 62' ' ' HOH . . . . . 0.536 ' O ' ' OG ' ' B' ' 55' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.241 0.654 0 CA-C-O 121.458 0.646 . . . . 20.39 111.708 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.59 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 4.5 mtmt -107.38 126.16 52.12 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.0 -1.454 . . . . 21.21 107.809 179.62 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 93.8 m -126.01 141.6 51.89 Favored 'General case' 0 C--N 1.316 -0.864 0 O-C-N 125.998 2.061 . . . . 20.46 110.69 179.942 -68.677 -48.207 -104.004 104.88 2.043 104.555 -34.685 -73.815 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.857 HD21 ' NE ' ' A' ' 58' ' ' ARG . 2.6 m120 -69.28 155.51 40.29 Favored 'General case' 0 C--N 1.313 -0.991 0 O-C-N 126.149 2.156 . . . . 20.33 109.224 179.644 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.1 mttp -99.52 179.02 4.69 Favored 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 107.568 -1.271 . . . . 20.18 107.568 179.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.404 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 33.0 tp -47.68 -53.91 13.61 Favored 'General case' 0 C--O 1.246 0.892 0 O-C-N 125.734 1.896 . . . . 20.23 108.783 179.849 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.657 HG22 HG13 ' A' ' 9' ' ' ILE . 1.7 mp -96.31 109.96 50.08 Favored Pre-proline 0 N--CA 1.521 3.077 1 N-CA-C 95.618 -5.697 . . . . 20.46 95.618 179.142 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 20.1 Cg_exo -60.3 -7.92 7.61 Favored 'Trans proline' 0 C--O 1.266 1.918 0 N-CA-C 120.499 3.23 . . . . 20.75 120.499 -178.671 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.657 HG13 HG22 ' A' ' 7' ' ' ILE . 1.4 pp -65.95 -15.3 18.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 N-CA-C 105.738 -1.949 . . . . 21.21 105.738 179.594 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -112.97 155.11 25.36 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 125.815 1.646 . . . . 21.53 109.571 179.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.59 ' CE2' ' HD2' ' A' ' 2' ' ' LYS . 36.9 p90 -152.19 157.02 40.91 Favored 'General case' 0 N--CA 1.437 -1.085 0 C-N-CA 128.571 2.748 . . . . 22.83 109.622 -179.888 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.87 151.85 51.66 Favored 'General case' 0 C--O 1.25 1.08 0 O-C-N 125.358 1.661 . . . . 22.46 111.821 179.829 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.42 148.88 23.23 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 102.749 -3.056 . . . . 22.13 102.749 179.492 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.3 m -101.02 151.72 37.7 Favored Pre-proline 0 C--N 1.307 -1.271 0 N-CA-C 116.175 1.917 . . . . 22.26 116.175 -179.455 -37.285 -76.104 -63.759 101.017 2.062 103.534 -114.87 -54.644 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.773 ' HG2' ' HG3' ' A' ' 18' ' ' LYS . 22.1 Cg_endo -68.9 -174.0 0.68 Allowed 'Trans proline' 0 C--O 1.262 1.715 0 O-C-N 124.782 1.938 . . . . 22.67 107.481 179.472 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -95.62 139.33 32.02 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 104.866 -2.272 . . . . 23.85 104.866 179.715 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.53 -10.96 57.98 Favored Glycine 0 N--CA 1.485 1.932 0 N-CA-C 105.579 -3.008 . . . . 22.75 105.579 -179.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.773 ' HG3' ' HG2' ' A' ' 15' ' ' PRO . 64.6 mmtt -114.05 72.02 0.77 Allowed 'General case' 0 C--N 1.32 -0.681 0 O-C-N 127.574 2.573 . . . . 22.66 105.005 179.73 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 68' ' ' HOH . 9.6 m120 -91.62 4.21 53.21 Favored 'General case' 0 C--O 1.277 2.535 0 N-CA-C 121.682 3.956 . . . . 22.27 121.682 -179.185 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . 0.343 0.2 OUTLIER -135.77 159.46 41.59 Favored 'General case' 0 N--CA 1.516 2.834 0 N-CA-C 105.868 -1.901 . . . . 21.55 105.868 179.561 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 61.4 m -97.74 159.81 14.7 Favored 'General case' 0 C--O 1.252 1.232 0 N-CA-C 104.262 -2.495 . . . . 20.89 104.262 179.546 -73.815 -34.685 -104.004 104.555 2.043 104.88 -48.207 -68.677 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -160.08 151.53 19.7 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 125.012 1.445 . . . . 20.78 112.322 179.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.466 ' HE2' ' HG3' ' A' ' 33' ' ' PRO . 7.4 tttt -121.63 131.3 54.03 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 104.975 -2.232 . . . . 20.54 104.975 179.587 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.5 ttt -114.68 110.35 19.62 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 106.821 -1.548 . . . . 20.58 106.821 179.982 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' MET . . . . . 0.451 ' SD ' ' HD3' ' A' ' 23' ' ' LYS . 4.5 mtm -121.34 147.82 45.17 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 125.338 2.494 . . . . 20.94 115.633 -179.678 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.476 ' CD1' ' HB2' ' A' ' 28' ' ' SER . 0.2 OUTLIER -83.94 128.89 34.86 Favored 'General case' 0 C--O 1.243 0.747 0 CA-C-N 110.991 -2.822 . . . . 21.44 106.269 179.734 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.38 -16.4 61.34 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 126.502 2.376 . . . . 22.09 112.189 -179.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' SER . . . . . 0.799 ' HB3' ' O ' ' A' ' 78' ' ' HOH . 73.2 m -56.85 90.45 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 125.663 2.649 . . . . 22.76 110.791 -179.912 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.75 ' HD3' ' O ' ' A' ' 79' ' ' HOH . 0.1 OUTLIER 57.8 -53.17 0.04 OUTLIER 'General case' 0 C--O 1.289 3.145 2 C-N-CA 139.238 7.015 . . . . 23.36 125.605 179.191 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.734 ' N ' ' HD2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -98.61 -13.24 20.46 Favored 'General case' 0 C--O 1.264 1.854 0 N-CA-C 118.324 2.712 . . . . 23.34 118.324 -179.214 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' MET . . . . . 0.599 ' HB2' ' O ' ' A' ' 30' ' ' LYS . 66.2 mmm 84.12 104.83 0.05 Allowed 'General case' 0 N--CA 1.498 1.955 1 N-CA-C 96.835 -5.246 . . . . 22.91 96.835 -179.212 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.437 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 12.0 p -140.26 128.76 13.03 Favored Pre-proline 0 C--N 1.307 -1.273 0 O-C-N 127.667 3.104 . . . . 22.24 110.541 -179.629 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.466 ' HG3' ' HE2' ' A' ' 23' ' ' LYS . 12.5 Cg_exo -68.92 132.9 25.73 Favored 'Trans proline' 0 C--N 1.321 -0.897 0 O-C-N 126.133 2.649 . . . . 21.73 109.871 -179.846 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . 0.27 0.9 OUTLIER -121.33 -13.7 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 CA-C-N 112.767 -2.015 . . . . 21.32 110.465 -179.613 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -159.06 150.34 20.29 Favored 'General case' 0 C--N 1.315 -0.928 0 C-N-CA 125.609 1.563 . . . . 21.19 108.197 179.667 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -154.16 134.37 13.28 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 116.533 -1.699 . . . . 20.86 107.766 179.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.442 ' HA3' ' O4 ' ' A' ' 61' ' ' PO4 . . . -178.27 -150.46 8.71 Favored Glycine 0 CA--C 1.497 -1.042 0 N-CA-C 118.122 2.009 . . . . 20.75 118.122 -179.886 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 58.1 m -112.78 149.76 32.57 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 103.583 -2.747 . . . . 21.3 103.583 179.817 -54.644 -114.87 -63.759 103.534 2.062 101.017 -76.104 -37.285 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.8 tt -160.55 161.93 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 127.347 3.451 . . . . 20.6 111.792 -179.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -69.24 -75.43 0.11 Allowed 'General case' 0 C--N 1.304 -1.404 1 C-N-CA 131.713 4.005 . . . . 20.95 110.336 -179.904 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.5 m -120.12 158.13 22.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.658 0 CA-C-N 111.532 -2.576 . . . . 20.06 108.877 -179.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 11.7 t -82.7 117.55 68.88 Favored Pre-proline 0 C--O 1.244 0.794 0 O-C-N 125.382 1.676 . . . . 19.69 106.603 179.728 -165.106 71.619 86.855 100.573 2.053 102.82 113.09 -57.741 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 13.6 Cg_exo -69.45 137.84 37.34 Favored 'Trans proline' 0 C--N 1.316 -1.151 0 C-N-CA 123.206 2.604 . . . . 19.46 114.721 -179.752 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.37 140.15 50.07 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 112.655 -2.066 . . . . 19.83 108.902 179.884 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.629 ' H ' ' HB2' ' B' ' 55' ' ' SER . 2.7 m120 -74.29 130.21 39.28 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 119.222 3.045 . . . . 19.22 119.222 -179.402 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.28 173.8 7.63 Favored 'General case' 0 C--O 1.251 1.151 0 N-CA-C 102.717 -3.068 . . . . 18.99 102.717 179.347 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.04 -45.12 94.97 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 125.039 1.462 . . . . 18.86 110.645 -179.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.8 mp -97.38 -16.11 20.38 Favored 'General case' 0 C--O 1.252 1.206 0 N-CA-C 115.871 1.804 . . . . 18.79 115.871 -179.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . 0.253 0.2 OUTLIER -130.19 116.05 35.05 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 CA-C-O 123.71 1.719 . . . . 18.77 111.867 -179.611 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -102.44 160.95 14.1 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 110.57 -3.014 . . . . 18.8 109.76 179.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.473 ' H ' HD21 ' A' ' 45' ' ' ASN . 73.8 m-85 -144.86 137.93 26.65 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 125.574 1.55 . . . . 18.77 109.415 -179.979 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . 0.272 0.3 OUTLIER -127.87 129.66 69.89 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 N-CA-C 101.664 -3.458 . . . . 18.89 101.664 179.198 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 66.0 m -115.84 151.81 34.55 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 126.121 2.138 . . . . 19.13 110.412 -179.553 -57.741 113.09 86.855 102.82 2.053 100.573 71.619 -165.106 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 25.7 p -151.17 173.32 14.55 Favored 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 115.954 -1.974 . . . . 18.87 106.754 -179.784 57.964 93.058 90.693 101.053 2.031 106.623 91.088 58.706 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.6 p -140.35 27.14 2.12 Favored 'General case' 0 C--O 1.256 1.427 0 N-CA-C 117.337 2.347 . . . . 18.88 117.337 -179.728 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 53.4 m -108.82 138.43 45.15 Favored 'General case' 0 C--O 1.255 1.366 0 CA-C-O 115.89 -2.005 . . . . 18.96 106.585 179.295 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -41.79 129.29 3.41 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-O 123.595 1.664 . . . . 19.35 110.308 -179.801 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.857 ' NE ' HD21 ' A' ' 4' ' ' ASN . 49.8 mtp180 49.29 40.89 19.28 Favored 'General case' 0 C--O 1.253 1.273 0 CA-C-N 111.354 -2.657 . . . . 19.62 117.005 179.683 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 26.4 p -82.07 -18.6 42.52 Favored 'General case' 0 C--O 1.253 1.241 0 C-N-CA 124.102 0.961 . . . . 18.52 113.395 179.647 58.706 91.088 90.693 106.623 2.031 101.053 93.058 57.964 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 . . . . . 0 C--O 1.247 0.962 0 CA-C-O 116.727 -1.606 . . . . 18.25 111.732 179.984 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 2.5 pt? . . . . . 0 C--O 1.243 0.748 0 N-CA-C 108.077 -1.083 . . . . 20.14 108.077 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.458 ' HG2' ' CD2' ' B' ' 11' ' ' TYR . 0.0 OUTLIER -102.04 131.7 48.33 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 126.703 2.502 . . . . 20.09 105.576 179.52 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 71.8 m -133.16 140.31 47.52 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 113.186 -1.825 . . . . 20.18 108.168 179.997 -62.744 -53.164 -106.369 107.332 2.013 106.75 -33.734 -78.36 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ASN . . . . . 0.748 ' OD1' ' HG2' ' B' ' 58' ' ' ARG . 91.9 m-20 -73.32 149.08 42.91 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 126.963 2.664 . . . . 19.89 111.092 179.666 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -96.95 178.68 5.2 Favored 'General case' 0 C--O 1.254 1.315 0 O-C-N 125.323 1.639 . . . . 19.77 107.461 179.42 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 11.0 tp -41.35 -64.19 0.59 Allowed 'General case' 0 N--CA 1.488 1.452 0 CA-C-O 117.301 -1.333 . . . . 19.85 110.211 -179.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 13.0 mm -87.51 112.68 50.03 Favored Pre-proline 0 N--CA 1.525 3.308 1 N-CA-C 94.194 -6.224 . . . . 20.13 94.194 178.914 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' PRO . . . . . 0.592 ' HG3' ' NH1' ' B' ' 36' ' ' ARG . 10.4 Cg_endo -75.45 25.38 0.39 Allowed 'Trans proline' 0 C--O 1.27 2.093 0 N-CA-C 120.341 3.17 . . . . 20.43 120.341 -178.486 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 pt -92.98 -1.21 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 CA-C-O 124.932 2.301 . . . . 20.79 106.119 179.891 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -129.53 151.35 50.24 Favored 'General case' 0 C--O 1.243 0.726 0 CA-C-N 110.284 -3.144 . . . . 21.22 107.049 179.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' TYR . . . . . 0.477 ' CG ' ' HD2' ' B' ' 58' ' ' ARG . 45.0 p90 -147.76 158.74 44.17 Favored 'General case' 0 C--N 1.312 -1.039 0 O-C-N 125.33 1.644 . . . . 21.59 108.68 -179.83 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 6.5 ptpt -118.47 166.1 13.09 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 104.372 -2.455 . . . . 22.16 104.372 179.791 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.07 147.06 30.44 Favored 'General case' 0 C--O 1.268 2.058 1 N-CA-C 96.759 -5.275 . . . . 22.19 96.759 179.223 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' CYS . . . . . 0.537 ' HB3' ' HB3' ' B' ' 18' ' ' LYS . 13.1 m -99.92 137.61 20.17 Favored Pre-proline 0 C--N 1.31 -1.146 1 N-CA-C 123.233 4.531 . . . . 21.96 123.233 -178.872 -46.0 -66.475 -79.39 105.234 2.029 105.325 -110.729 -56.804 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' PRO . . . . . 0.481 ' O ' ' HB2' ' B' ' 18' ' ' LYS . 19.0 Cg_endo -58.07 162.79 10.81 Favored 'Trans proline' 0 C--O 1.258 1.491 0 C-N-CA 121.965 1.777 . . . . 22.27 107.726 179.163 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -64.99 144.76 57.08 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 125.449 1.718 . . . . 23.34 107.278 179.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 85.74 1.57 87.22 Favored Glycine 0 N--CA 1.483 1.825 0 N-CA-C 108.103 -1.999 . . . . 22.29 108.103 -179.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' LYS . . . . . 0.537 ' HB3' ' HB3' ' B' ' 14' ' ' CYS . 2.1 mptm? -118.3 84.79 2.24 Favored 'General case' 0 N--CA 1.499 1.996 1 N-CA-C 97.416 -5.031 . . . . 22.18 97.416 179.295 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ASN . . . . . 0.699 ' H ' ' ND2' ' B' ' 19' ' ' ASN . 0.0 OUTLIER -104.59 -4.27 22.78 Favored 'General case' 0 C--O 1.247 0.948 0 CA-C-N 109.461 -3.518 . . . . 21.88 112.256 -179.008 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.427 ' HB3' HG22 ' B' ' 39' ' ' ILE . 2.0 mp -124.06 157.95 33.31 Favored 'General case' 0 C--N 1.307 -1.27 0 C-N-CA 125.711 1.604 . . . . 20.99 114.577 179.865 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' CYS . . . . . . . . . . . . . 33.3 m -117.33 157.77 25.54 Favored 'General case' 0 CA--C 1.567 1.604 0 N-CA-C 101.201 -3.629 . . . . 20.48 101.201 178.86 -78.36 -33.734 -106.369 106.75 2.013 107.332 -53.164 -62.744 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' TYR . . . . . 0.688 ' CD2' ' HB ' ' B' ' 39' ' ' ILE . 11.1 p90 -163.25 162.21 25.18 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-O 125.14 2.4 . . . . 20.54 112.654 179.985 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.535 ' HD3' ' HB3' ' B' ' 33' ' ' PRO . 0.0 OUTLIER -120.87 153.99 36.42 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 111.714 -2.494 . . . . 20.65 104.344 179.579 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 10.6 ttt -137.77 109.18 6.92 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 101.73 -3.433 . . . . 20.93 101.73 179.419 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' MET . . . . . 0.428 ' SD ' ' HB3' ' B' ' 31' ' ' MET . 19.1 mtm -122.17 150.06 42.76 Favored 'General case' 0 C--N 1.319 -0.735 0 O-C-N 127.535 3.022 . . . . 21.45 114.086 -179.612 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 9.1 mt -96.61 126.99 42.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 113.259 -1.791 . . . . 22.17 108.266 179.665 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' B' ' 29' ' ' LYS . . . -60.39 -21.01 61.68 Favored 'General case' 0 C--N 1.316 -0.883 0 O-C-N 125.82 1.95 . . . . 22.92 111.827 -179.935 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' SER . . . . . 0.853 ' O ' ' HB3' ' B' ' 29' ' ' LYS . 0.2 OUTLIER -44.66 71.86 0.0 OUTLIER 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 115.695 1.739 . . . . 23.53 115.695 -179.654 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.853 ' HB3' ' O ' ' B' ' 28' ' ' SER . 0.0 OUTLIER 108.25 -94.99 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 104.845 -2.28 . . . . 24.4 104.845 179.596 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.648 ' H ' ' HD2' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -142.65 115.37 8.65 Favored 'General case' 0 C--N 1.31 -1.135 0 O-C-N 127.154 2.784 . . . . 23.57 109.801 -179.815 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' MET . . . . . 0.428 ' HB3' ' SD ' ' B' ' 25' ' ' MET . 0.0 OUTLIER -10.87 76.53 0.0 OUTLIER 'General case' 0 N--CA 1.408 -2.553 0 N-CA-C 119.023 2.971 . . . . 23.17 119.023 179.785 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 6.3 p -83.89 129.95 57.08 Favored Pre-proline 0 N--CA 1.512 2.627 1 N-CA-C 96.224 -5.473 . . . . 22.65 96.224 178.509 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' PRO . . . . . 0.535 ' HB3' ' HD3' ' B' ' 23' ' ' LYS . 1.1 Cg_endo -74.16 145.2 34.61 Favored 'Trans proline' 0 C--N 1.301 -1.946 0 C-N-CA 122.721 2.28 . . . . 22.09 108.365 -179.833 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 11.4 m -133.65 1.13 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 N-CA-C 114.769 1.396 . . . . 21.6 114.769 -179.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.23 142.21 4.84 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 105.164 -2.161 . . . . 21.02 105.164 179.508 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.592 ' NH1' ' HG3' ' B' ' 8' ' ' PRO . 6.2 mtm-85 -150.97 138.51 19.6 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 115.398 -2.239 . . . . 20.57 106.047 -179.721 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.61 -158.97 25.49 Favored Glycine 0 C--N 1.313 -0.731 0 O-C-N 127.292 2.87 . . . . 20.37 112.144 179.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' CYS . . . . . . . . . . . . . 62.7 m -100.89 139.56 36.4 Favored 'General case' 0 C--O 1.253 1.268 0 N-CA-C 103.726 -2.694 . . . . 20.86 103.726 179.451 -56.804 -110.729 -79.39 105.325 2.029 105.234 -66.475 -46.0 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.688 ' HB ' ' CD2' ' B' ' 22' ' ' TYR . 0.0 OUTLIER -135.19 169.89 20.4 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.169 0 O-C-N 127.103 2.752 . . . . 20.11 105.696 179.804 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' ASN . . . . . 0.583 ' H ' HD12 ' B' ' 39' ' ' ILE . 19.6 p-10 -102.95 -43.51 5.5 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 107.26 -1.385 . . . . 19.81 107.26 179.816 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 11.2 m -128.33 140.51 49.0 Favored 'Isoleucine or valine' 0 C--O 1.242 0.69 0 CA-C-N 112.61 -2.087 . . . . 19.4 108.323 179.864 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' CYS . . . . . 0.426 ' HA ' ' HD3' ' B' ' 43' ' ' PRO . 8.8 t -71.6 118.05 62.91 Favored Pre-proline 0 C--N 1.32 -0.705 0 O-C-N 126.229 2.205 . . . . 19.04 106.957 179.694 -163.002 64.17 87.071 100.64 2.036 103.783 112.424 -46.985 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' B' ' 42' ' ' CYS . 9.7 Cg_exo -68.51 143.74 58.43 Favored 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 123.786 2.99 . . . . 18.81 114.242 -179.616 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' LYS . . . . . 0.472 ' N ' ' HD3' ' B' ' 44' ' ' LYS . 0.1 OUTLIER -75.04 143.53 43.46 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 113.325 -1.762 . . . . 18.85 110.369 -179.647 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -79.61 138.75 37.53 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-O 126.007 2.813 . . . . 18.83 115.113 -179.413 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' SER . . . . . 0.558 ' HB3' HG22 ' B' ' 49' ' ' VAL . 7.4 t -95.48 171.1 8.9 Favored 'General case' 0 C--O 1.262 1.728 0 CA-C-N 109.331 -3.577 . . . . 19.08 101.381 179.186 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.7 -28.88 70.2 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 119.062 0.847 . . . . 18.95 111.856 -179.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.14 -18.23 8.12 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 116.291 -1.814 . . . . 19.24 112.738 -179.937 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.558 HG22 ' HB3' ' B' ' 46' ' ' SER . 0.6 OUTLIER -115.19 101.48 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 CA-C-O 125.735 2.683 . . . . 19.2 114.637 -179.295 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -92.37 139.07 30.98 Favored 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 117.619 2.451 . . . . 19.22 117.619 -179.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -119.25 141.38 48.99 Favored 'General case' 0 C--O 1.251 1.165 0 C-N-CA 125.836 1.654 . . . . 19.21 109.753 179.526 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . 0.268 0.7 OUTLIER -144.22 115.18 2.27 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 N-CA-C 104.698 -2.334 . . . . 19.01 104.698 179.16 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 16.4 m -107.92 149.18 28.64 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 117.1 2.259 . . . . 18.78 117.1 -179.533 -46.985 112.424 87.071 103.783 2.036 100.64 64.17 -163.002 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 24.6 p -151.38 154.82 37.41 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 112.496 -2.138 . . . . 18.56 107.435 179.829 56.84 98.943 104.361 103.541 2.043 105.042 92.002 59.191 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' SER . . . . . 0.629 ' HB2' ' H ' ' A' ' 45' ' ' ASN . 0.9 OUTLIER -110.28 19.36 18.95 Favored 'General case' 0 C--O 1.261 1.709 0 N-CA-C 118.692 2.849 . . . . 18.42 118.692 -179.459 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' THR . . . . . 0.446 ' O ' ' SG ' ' B' ' 59' ' ' CYS . 98.0 m -119.61 135.23 54.89 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-N 122.166 2.257 . . . . 18.27 114.222 179.855 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -27.52 106.13 0.03 OUTLIER 'General case' 0 C--N 1.309 -1.156 0 C-N-CA 129.286 3.034 . . . . 18.34 116.841 179.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' ARG . . . . . 0.748 ' HG2' ' OD1' ' B' ' 4' ' ' ASN . 0.0 OUTLIER 63.42 34.63 12.74 Favored 'General case' 0 C--O 1.258 1.545 0 N-CA-C 114.914 1.449 . . . . 18.52 114.914 179.538 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' CYS . . . . . 0.446 ' SG ' ' O ' ' B' ' 56' ' ' THR . 26.6 p -81.64 -28.2 33.74 Favored 'General case' 0 C--O 1.256 1.422 0 N-CA-C 114.885 1.439 . . . . 18.05 114.885 -179.655 59.191 92.002 104.361 105.042 2.043 103.541 98.943 56.84 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 30.5 p-10 . . . . . 0 C--N 1.302 -1.464 0 C-N-CA 125.229 1.412 . . . . 17.72 114.5 -179.702 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' PO4 . . . . . 0.442 ' O4 ' ' HA3' ' A' ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' PO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' HOH . . . . . 0.472 ' O ' ' HB3' ' A' ' 58' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' HOH . . . . . 0.497 ' O ' ' ND2' ' A' ' 19' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' HOH . . . . . 0.799 ' O ' ' HB3' ' A' ' 28' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' HOH . . . . . 0.75 ' O ' ' HD3' ' A' ' 29' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' HOH . . . . . 0.536 ' O ' ' OG ' ' B' ' 55' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_