data_1coa_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 1coa _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 ' I' I ' 20' ' ' MET . . . . . . . . . . . . . 9.6 ttt . . . . . 0 CA--C 1.443 -3.154 0 CA-C-O 123.914 1.816 . . . . 42.53 109.532 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 21' ' ' LYS . . . . . . . . . . . . 0.424 83.0 tttt -99.98 157.94 16.18 Favored 'General case' 1 C--N 1.129 -8.995 1 O-C-N 115.124 -4.735 . . . . 32.12 105.412 -177.712 . . . . . . . . 4 2 . 1 . 001 ecloud orig full ' I' I ' 22' ' ' THR . . . . . . . . . . . . . 71.0 p -130.26 -6.94 4.3 Favored 'General case' 0 C--O 1.263 1.779 0 CA-C-O 112.034 -3.841 . . . . 27.36 106.05 178.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 23' ' ' GLU . . . . . . . . . . . . 0.358 6.1 pt-20 -144.26 152.85 41.39 Favored 'General case' 0 N--CA 1.504 2.251 0 C-N-CA 112.322 -3.751 . . . . 39.94 111.827 176.777 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' I' I ' 24' ' ' TRP . . . . . . . . . . . . . 17.6 m-90 -128.72 70.59 80.71 Favored Pre-proline 0 CA--C 1.551 1.006 0 O-C-N 125.616 1.823 . . . . 17.36 113.442 -176.346 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 25' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -58.81 -31.29 94.89 Favored 'Trans proline' 0 C--O 1.271 2.151 0 C-N-CA 124.936 3.757 . . . . 17.77 109.866 -178.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 26' ' ' GLU . . . . . . . . . . . . . 24.7 pm0 -75.68 2.19 12.66 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 125.209 1.568 . . . . 22.72 113.413 -178.635 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 27' ' ' LEU . . . . . . . . . . . . . 39.3 mt -101.13 -7.93 22.72 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 114.125 1.157 . . . . 19.26 114.125 -178.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 28' ' ' VAL . . . . . . . . . . . . . 94.5 t -57.0 128.35 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 CA-C-O 117.387 -1.292 . . . . 16.92 107.864 176.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.46 -11.6 70.86 Favored Glycine 0 N--CA 1.42 -2.38 0 C-N-CA 126.175 1.845 . . . . 16.12 112.281 179.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 30' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -88.06 161.21 17.47 Favored 'General case' 0 CA--C 1.576 1.968 0 CA-C-N 119.994 1.897 . . . . 45.82 108.185 -177.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 31' ' ' SER . . . . . . . . . . . . . 68.4 p -69.95 166.92 18.57 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-O 119.237 -0.411 . . . . 15.94 110.49 -179.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 32' ' ' VAL . . . . . . . . . . . . . 9.5 t -65.77 -34.98 73.99 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.056 0 CA-C-O 118.477 -0.773 . . . . 17.82 109.448 177.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 33' ' ' GLU . . . . . . . . . . . . . 57.1 tt0 -66.27 -41.34 90.04 Favored 'General case' 0 N--CA 1.533 3.695 0 O-C-N 124.372 1.045 . . . . 34.19 109.515 -178.864 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 34' ' ' GLU . . . . . . . . . . . . 0.559 13.9 tt0 -88.74 -21.15 23.98 Favored 'General case' 1 N--CA 1.355 -5.193 1 C-N-CA 104.079 -7.048 . . . . 48.66 107.784 -174.076 . . . . . . . . 4 2 . 1 . 001 ecloud orig full ' I' I ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.87 -35.92 75.82 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 117.833 -3.042 . . . . 17.75 112.144 172.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 36' ' ' LYS . . . . . . . . . . . . . 7.8 mtmt -61.27 -43.15 99.34 Favored 'General case' 0 N--CA 1.517 2.882 0 O-C-N 126.294 2.246 . . . . 37.07 113.751 178.759 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 37' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -64.56 -43.19 94.7 Favored 'General case' 0 C--N 1.271 -2.808 0 C-N-CA 123.737 0.815 . . . . 38.56 109.425 -178.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 38' ' ' VAL . . . . . . . . . . . . . 55.4 t -65.3 -53.56 38.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 CA-C-O 127.408 3.48 . . . . 18.37 110.044 -179.747 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 39' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' I' ' 43' ' ' LYS . 15.3 mt -57.75 -43.73 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 O-C-N 117.93 -2.981 . . . . 18.18 110.831 -176.883 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' I' I ' 40' ' ' LEU . . . . . . . . . . . . . 46.7 mt -68.29 -29.5 68.29 Favored 'General case' 0 C--N 1.285 -2.227 0 O-C-N 125.169 1.543 . . . . 20.57 110.286 -177.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 41' ' ' GLN . . . . . . . . . . . . 0.259 67.0 mt-30 -67.06 -44.34 80.37 Favored 'General case' 0 C--N 1.406 3.056 0 C-N-CA 113.294 -3.362 . . . . 41.79 109.138 174.259 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' I' I ' 42' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -81.96 -22.11 36.83 Favored 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 115.559 1.689 . . . . 28.14 115.559 -179.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 43' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' I' ' 39' ' ' ILE . 33.1 tttp -143.1 85.89 9.5 Favored Pre-proline 0 N--CA 1.495 1.806 0 N-CA-C 104.851 -2.277 . . . . 16.88 104.851 -173.125 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' I' I ' 44' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -56.9 -29.17 80.89 Favored 'Trans proline' 0 C--O 1.27 2.09 1 O-C-N 129.732 4.543 . . . . 17.97 116.724 -178.098 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' I' I ' 45' ' ' GLU . . . . . . . . . . . . 0.323 14.7 pm0 -99.04 13.79 31.53 Favored 'General case' 0 C--N 1.28 -2.414 1 CA-C-N 126.62 4.282 . . . . 16.19 112.473 -178.211 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' I' I ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.26 137.51 55.89 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 115.468 -0.787 . . . . 14.33 110.965 -176.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 47' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -110.45 104.79 13.58 Favored 'General case' 0 C--N 1.285 -2.213 1 N-CA-C 99.171 -4.381 . . . . 22.22 99.171 174.756 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' I' I ' 48' ' ' ILE . . . . . . . . . . . . . 14.2 mt -87.77 122.89 39.99 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 O-C-N 127.102 2.751 . . . . 17.02 111.284 -178.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 49' ' ' ILE . . . . . . . . . . . . 0.317 26.4 mm -115.46 126.49 73.02 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 C-N-CA 128.75 2.82 . . . . 15.62 108.021 178.97 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' I' I ' 50' ' ' VAL . . . . . . . . . . . . . 60.2 t -107.38 112.16 38.85 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.066 0 O-C-N 116.534 -3.853 . . . . 13.27 110.37 -177.059 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 51' ' ' LEU . . . . . . . . . . . . . 95.9 mt -125.77 143.93 46.72 Favored Pre-proline 0 C--O 1.2 -1.507 0 O-C-N 119.711 -1.868 . . . . 13.1 112.008 179.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 52' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -66.4 145.7 78.1 Favored 'Trans proline' 0 C--N 1.313 -1.307 1 CA-C-O 130.082 4.117 . . . . 12.98 105.061 175.06 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' I' I ' 53' ' ' VAL . . . . . . . . . . . . . 3.8 t -57.1 142.29 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 CA-C-N 110.357 -3.11 . . . . 16.12 107.121 176.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 54' ' ' GLY . . . . . . . . . . . . . . . 100.26 -12.96 60.27 Favored Glycine 0 C--O 1.266 2.099 0 O-C-N 126.333 2.27 . . . . 23.73 115.412 177.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 55' ' ' THR . . . . . . . . . . . . . 13.2 m -70.48 131.63 44.32 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 125.298 1.234 . . . . 25.26 108.7 179.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 56' ' ' ILE . . . . . . . . . . . . . 9.6 mt -89.67 127.47 42.28 Favored 'Isoleucine or valine' 0 C--O 1.259 1.594 0 O-C-N 120.103 -1.623 . . . . 34.74 106.882 176.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 57' ' ' VAL . . . . . . . . . . . . . 18.2 m -102.55 154.43 5.25 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.251 0 CA-C-N 114.82 -1.082 . . . . 32.21 109.361 -178.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 58' ' ' THR . . . . . . . . . . . . . 28.6 p -78.56 142.59 37.23 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 104.219 -2.511 . . . . 37.08 104.219 177.369 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 59' ' ' MET . . . . . . . . . . . . . 12.6 ptp -80.06 82.6 6.1 Favored 'General case' 0 C--N 1.314 -0.958 0 O-C-N 121.571 -0.706 . . . . 49.58 111.711 -176.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 60' ' ' GLU . . . . . 0.406 ' O ' ' CG ' ' I' ' 60' ' ' GLU . 5.8 pt-20 -132.47 112.85 12.47 Favored 'General case' 0 CA--C 1.565 1.526 0 O-C-N 125.095 1.497 . . . . 34.77 108.942 178.143 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' I' I ' 61' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -82.6 120.41 25.5 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 114.919 1.451 . . . . 30.57 114.919 -175.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 62' ' ' ARG . . . . . . . . . . . . . 11.0 mtt180 -125.95 121.88 34.37 Favored 'General case' 0 N--CA 1.526 3.327 0 C-N-CA 119.655 -0.818 . . . . 35.36 109.876 173.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 63' ' ' ILE . . . . . . . . . . . . . 8.5 tt -68.0 -22.83 28.27 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.977 0 CA-C-O 126.401 3.0 . . . . 33.62 115.369 -175.234 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 64' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -95.08 -6.74 41.34 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 112.848 -1.978 . . . . 27.07 112.407 -178.913 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 65' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -93.0 141.31 28.54 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-O 124.318 2.009 . . . . 15.68 113.637 -179.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 66' ' ' VAL . . . . . . . . . . . . . 47.9 t -133.09 110.84 15.74 Favored 'Isoleucine or valine' 0 C--N 1.35 0.598 0 CA-C-N 110.501 -3.045 . . . . 13.32 108.686 174.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 67' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -91.5 134.34 34.73 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.165 -1.38 . . . . 30.16 110.377 179.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 68' ' ' LEU . . . . . . . . . . . . . 52.8 mt -108.14 121.2 44.35 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-O 112.45 -3.643 . . . . 11.29 108.696 177.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 69' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -100.87 111.19 23.36 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-N 122.578 2.445 . . . . 17.36 106.263 176.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 70' ' ' VAL . . . . . . . . . . . . . 18.0 m -105.77 154.95 6.9 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.9 0 C-N-CA 131.454 3.902 . . . . 11.62 113.982 -174.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 71' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -91.43 -174.91 4.06 Favored 'General case' 0 CA--C 1.596 2.733 2 O-C-N 131.747 5.655 . . . . 14.3 106.777 178.29 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' I' I ' 72' ' ' LYS . . . . . . . . . . . . 0.385 50.3 mttt -61.09 -17.63 53.61 Favored 'General case' 0 N--CA 1.509 2.485 0 N-CA-C 115.572 1.693 . . . . 29.14 115.572 178.725 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' I' I ' 73' ' ' LEU . . . . . . . . . . . . . 61.0 mt -102.77 14.16 32.63 Favored 'General case' 0 C--O 1.258 1.527 0 CA-C-O 113.463 -3.16 . . . . 19.68 107.501 -179.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 74' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 56.14 39.46 30.34 Favored 'General case' 0 C--O 1.252 1.2 0 O-C-N 128.144 3.403 . . . . 32.46 112.037 -176.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 75' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -103.14 144.83 30.8 Favored 'General case' 0 C--O 1.208 -1.09 0 N-CA-C 102.512 -3.144 . . . . 13.31 102.512 175.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 76' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.16 122.41 13.98 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.307 0 O-C-N 124.86 1.35 . . . . 10.03 107.75 177.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.4 -22.43 15.55 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 126.628 1.971 . . . . 9.66 114.327 -174.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -137.31 172.69 12.61 Favored 'General case' 0 N--CA 1.486 1.366 1 O-C-N 131.478 5.486 . . . . 27.17 106.577 178.756 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' I' I ' 79' ' ' VAL . . . . . . . . . . . . . 77.5 t -68.58 113.97 19.12 Favored Pre-proline 0 C--N 1.288 -2.083 0 O-C-N 126.177 2.173 . . . . 12.41 111.186 -179.761 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 80' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -67.11 136.82 42.15 Favored 'Trans proline' 0 C--O 1.269 2.047 0 O-C-N 128.234 3.755 . . . . 16.05 109.794 176.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 81' ' ' ARG . . . . . . . . . . . . 0.303 6.6 mtt180 -140.39 150.47 43.93 Favored 'General case' 0 C--N 1.289 -2.032 2 O-C-N 115.653 -4.404 . . . . 55.47 110.554 179.818 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' I' I ' 82' ' ' VAL . . . . . . . . . . . . . 3.0 t -72.65 143.07 14.35 Favored 'Isoleucine or valine' 0 C--O 1.271 2.202 0 O-C-N 126.443 2.339 . . . . 17.94 106.629 178.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.511 3.66 0 N-CA-C 104.814 -3.314 . . . . 16.21 104.814 176.291 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 20' ' ' MET . . . . . . . . . . . . . 9.6 ttt . . . . . 0 CA--C 1.443 -3.154 0 CA-C-O 123.914 1.816 . . . . 42.53 109.532 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 21' ' ' LYS . . . . . . . . . . . . 0.424 83.0 tttt -99.98 157.94 16.18 Favored 'General case' 1 C--N 1.129 -8.995 1 O-C-N 115.124 -4.735 . . . . 32.12 105.412 -177.712 . . . . . . . . 4 2 . 1 . 001 ecloud build full ' I' I ' 22' ' ' THR . . . . . . . . . . . . . 71.0 p -130.26 -6.94 4.3 Favored 'General case' 0 C--O 1.263 1.779 0 CA-C-O 112.034 -3.841 . . . . 27.36 106.05 178.479 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 23' ' ' GLU . . . . . . . . . . . . 0.358 6.1 pt-20 -144.26 152.85 41.39 Favored 'General case' 0 N--CA 1.504 2.251 0 C-N-CA 112.322 -3.751 . . . . 39.94 111.827 176.777 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 24' ' ' TRP . . . . . . . . . . . . . 17.6 m-90 -128.72 70.59 80.71 Favored Pre-proline 0 CA--C 1.551 1.006 0 O-C-N 125.616 1.823 . . . . 17.36 113.442 -176.346 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 25' ' ' PRO . . . . . 0.516 ' HA ' HG22 ' I' ' 79' ' ' VAL . 17.2 Cg_exo -58.81 -31.29 94.89 Favored 'Trans proline' 0 C--O 1.271 2.151 0 C-N-CA 124.936 3.757 . . . . 17.77 109.866 -178.441 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 26' ' ' GLU . . . . . . . . . . . . . 24.7 pm0 -75.68 2.19 12.66 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 125.209 1.568 . . . . 22.72 113.413 -178.635 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 27' ' ' LEU . . . . . . . . . . . . . 39.3 mt -101.13 -7.93 22.72 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 114.125 1.157 . . . . 19.26 114.125 -178.622 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 28' ' ' VAL . . . . . . . . . . . . . 94.5 t -57.0 128.35 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 CA-C-O 117.387 -1.292 . . . . 16.92 107.864 176.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.46 -11.6 70.86 Favored Glycine 0 N--CA 1.42 -2.38 0 C-N-CA 126.175 1.845 . . . . 16.12 112.281 179.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 30' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -88.06 161.21 17.47 Favored 'General case' 0 CA--C 1.576 1.968 0 CA-C-N 119.994 1.897 . . . . 45.82 108.185 -177.587 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 31' ' ' SER . . . . . . . . . . . . . 68.4 p -69.95 166.92 18.57 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-O 119.237 -0.411 . . . . 15.94 110.49 -179.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 32' ' ' VAL . . . . . . . . . . . . . 9.5 t -65.77 -34.98 73.99 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.056 0 CA-C-O 118.477 -0.773 . . . . 17.82 109.448 177.198 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 33' ' ' GLU . . . . . . . . . . . . . 57.1 tt0 -66.27 -41.34 90.04 Favored 'General case' 0 N--CA 1.533 3.695 0 O-C-N 124.372 1.045 . . . . 34.19 109.515 -178.864 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 34' ' ' GLU . . . . . . . . . . . . 0.559 13.9 tt0 -88.74 -21.15 23.98 Favored 'General case' 1 N--CA 1.355 -5.193 1 C-N-CA 104.079 -7.048 . . . . 48.66 107.784 -174.076 . . . . . . . . 4 2 . 1 . 001 ecloud build full ' I' I ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.87 -35.92 75.82 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 117.833 -3.042 . . . . 17.75 112.144 172.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 36' ' ' LYS . . . . . . . . . . . . . 7.8 mtmt -61.27 -43.15 99.34 Favored 'General case' 0 N--CA 1.517 2.882 0 O-C-N 126.294 2.246 . . . . 37.07 113.751 178.759 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 37' ' ' LYS . . . . . 0.624 ' NZ ' ' HB2' ' I' ' 37' ' ' LYS . 3.7 ttmp? -64.56 -43.19 94.7 Favored 'General case' 0 C--N 1.271 -2.808 0 C-N-CA 123.737 0.815 . . . . 38.56 109.425 -178.47 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 38' ' ' VAL . . . . . . . . . . . . . 55.4 t -65.3 -53.56 38.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 CA-C-O 127.408 3.48 . . . . 18.37 110.044 -179.747 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 39' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' I' ' 43' ' ' LYS . 15.3 mt -57.75 -43.73 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 O-C-N 117.93 -2.981 . . . . 18.18 110.831 -176.883 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 40' ' ' LEU . . . . . . . . . . . . . 46.7 mt -68.29 -29.5 68.29 Favored 'General case' 0 C--N 1.285 -2.227 0 O-C-N 125.169 1.543 . . . . 20.57 110.286 -177.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 41' ' ' GLN . . . . . . . . . . . . 0.259 67.0 mt-30 -67.06 -44.34 80.37 Favored 'General case' 0 C--N 1.406 3.056 0 C-N-CA 113.294 -3.362 . . . . 41.79 109.138 174.259 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 42' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -81.96 -22.11 36.83 Favored 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 115.559 1.689 . . . . 28.14 115.559 -179.715 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 43' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' I' ' 39' ' ' ILE . 33.1 tttp -143.1 85.89 9.5 Favored Pre-proline 0 N--CA 1.495 1.806 0 N-CA-C 104.851 -2.277 . . . . 16.88 104.851 -173.125 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 44' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -56.9 -29.17 80.89 Favored 'Trans proline' 0 C--O 1.27 2.09 1 O-C-N 129.732 4.543 . . . . 17.97 116.724 -178.098 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 45' ' ' GLU . . . . . . . . . . . . 0.323 14.7 pm0 -99.04 13.79 31.53 Favored 'General case' 0 C--N 1.28 -2.414 1 CA-C-N 126.62 4.282 . . . . 16.19 112.473 -178.211 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' I' I ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.26 137.51 55.89 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 115.468 -0.787 . . . . 14.33 110.965 -176.451 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 47' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -110.45 104.79 13.58 Favored 'General case' 0 C--N 1.285 -2.213 1 N-CA-C 99.171 -4.381 . . . . 22.22 99.171 174.756 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 48' ' ' ILE . . . . . . . . . . . . . 14.2 mt -87.77 122.89 39.99 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 O-C-N 127.102 2.751 . . . . 17.02 111.284 -178.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 49' ' ' ILE . . . . . . . . . . . . 0.317 26.4 mm -115.46 126.49 73.02 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 C-N-CA 128.75 2.82 . . . . 15.62 108.021 178.97 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 50' ' ' VAL . . . . . . . . . . . . . 60.2 t -107.38 112.16 38.85 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.066 0 O-C-N 116.534 -3.853 . . . . 13.27 110.37 -177.059 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 51' ' ' LEU . . . . . 0.439 ' O ' ' HA ' ' I' ' 69' ' ' PHE . 95.9 mt -125.77 143.93 46.72 Favored Pre-proline 0 C--O 1.2 -1.507 0 O-C-N 119.711 -1.868 . . . . 13.1 112.008 179.631 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 52' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -66.4 145.7 78.1 Favored 'Trans proline' 0 C--N 1.313 -1.307 1 CA-C-O 130.082 4.117 . . . . 12.98 105.061 175.06 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 53' ' ' VAL . . . . . . . . . . . . . 3.8 t -57.1 142.29 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 CA-C-N 110.357 -3.11 . . . . 16.12 107.121 176.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 54' ' ' GLY . . . . . . . . . . . . . . . 100.26 -12.96 60.27 Favored Glycine 0 C--O 1.266 2.099 0 O-C-N 126.333 2.27 . . . . 23.73 115.412 177.667 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 55' ' ' THR . . . . . . . . . . . . . 13.2 m -70.48 131.63 44.32 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 125.298 1.234 . . . . 25.26 108.7 179.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 56' ' ' ILE . . . . . . . . . . . . . 9.6 mt -89.67 127.47 42.28 Favored 'Isoleucine or valine' 0 C--O 1.259 1.594 0 O-C-N 120.103 -1.623 . . . . 34.74 106.882 176.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 57' ' ' VAL . . . . . . . . . . . . . 18.2 m -102.55 154.43 5.25 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.251 0 CA-C-N 114.82 -1.082 . . . . 32.21 109.361 -178.533 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 58' ' ' THR . . . . . . . . . . . . . 28.6 p -78.56 142.59 37.23 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 104.219 -2.511 . . . . 37.08 104.219 177.369 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 59' ' ' MET . . . . . . . . . . . . . 12.6 ptp -80.06 82.6 6.1 Favored 'General case' 0 C--N 1.314 -0.958 0 O-C-N 121.571 -0.706 . . . . 49.58 111.711 -176.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 60' ' ' GLU . . . . . 0.558 ' HG3' ' O ' ' I' ' 60' ' ' GLU . 5.8 pt-20 -132.47 112.85 12.47 Favored 'General case' 0 CA--C 1.565 1.526 0 O-C-N 125.095 1.497 . . . . 34.77 108.942 178.143 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 61' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -82.6 120.41 25.5 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 114.919 1.451 . . . . 30.57 114.919 -175.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 62' ' ' ARG . . . . . 0.431 ' HD3' ' OD1' ' I' ' 64' ' ' ASP . 11.0 mtt180 -125.95 121.88 34.37 Favored 'General case' 0 N--CA 1.526 3.327 0 C-N-CA 119.655 -0.818 . . . . 35.36 109.876 173.199 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 63' ' ' ILE . . . . . . . . . . . . . 8.5 tt -68.0 -22.83 28.27 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.977 0 CA-C-O 126.401 3.0 . . . . 33.62 115.369 -175.234 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 64' ' ' ASP . . . . . 0.431 ' OD1' ' HD3' ' I' ' 62' ' ' ARG . 20.8 p-10 -95.08 -6.74 41.34 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 112.848 -1.978 . . . . 27.07 112.407 -178.913 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 65' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -93.0 141.31 28.54 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-O 124.318 2.009 . . . . 15.68 113.637 -179.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 66' ' ' VAL . . . . . . . . . . . . . 47.9 t -133.09 110.84 15.74 Favored 'Isoleucine or valine' 0 C--N 1.35 0.598 0 CA-C-N 110.501 -3.045 . . . . 13.32 108.686 174.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 67' ' ' ARG . . . . . 0.557 ' HD2' ' O ' ' I' ' 107' ' ' HOH . 11.1 mtt180 -91.5 134.34 34.73 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.165 -1.38 . . . . 30.16 110.377 179.483 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 68' ' ' LEU . . . . . . . . . . . . . 52.8 mt -108.14 121.2 44.35 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-O 112.45 -3.643 . . . . 11.29 108.696 177.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 69' ' ' PHE . . . . . 0.439 ' HA ' ' O ' ' I' ' 51' ' ' LEU . 78.7 m-85 -100.87 111.19 23.36 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-N 122.578 2.445 . . . . 17.36 106.263 176.011 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 70' ' ' VAL . . . . . . . . . . . . . 18.0 m -105.77 154.95 6.9 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.9 0 C-N-CA 131.454 3.902 . . . . 11.62 113.982 -174.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 71' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -91.43 -174.91 4.06 Favored 'General case' 0 CA--C 1.596 2.733 2 O-C-N 131.747 5.655 . . . . 14.3 106.777 178.29 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 72' ' ' LYS . . . . . . . . . . . . 0.385 50.3 mttt -61.09 -17.63 53.61 Favored 'General case' 0 N--CA 1.509 2.485 0 N-CA-C 115.572 1.693 . . . . 29.14 115.572 178.725 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 73' ' ' LEU . . . . . . . . . . . . . 61.0 mt -102.77 14.16 32.63 Favored 'General case' 0 C--O 1.258 1.527 0 CA-C-O 113.463 -3.16 . . . . 19.68 107.501 -179.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 74' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 56.14 39.46 30.34 Favored 'General case' 0 C--O 1.252 1.2 0 O-C-N 128.144 3.403 . . . . 32.46 112.037 -176.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 75' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -103.14 144.83 30.8 Favored 'General case' 0 C--O 1.208 -1.09 0 N-CA-C 102.512 -3.144 . . . . 13.31 102.512 175.263 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 76' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.16 122.41 13.98 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.307 0 O-C-N 124.86 1.35 . . . . 10.03 107.75 177.268 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.4 -22.43 15.55 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 126.628 1.971 . . . . 9.66 114.327 -174.654 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 78' ' ' GLU . . . . . 0.435 ' HG2' ' HB2' ' I' ' 69' ' ' PHE . 5.3 pt-20 -137.31 172.69 12.61 Favored 'General case' 0 N--CA 1.486 1.366 1 O-C-N 131.478 5.486 . . . . 27.17 106.577 178.756 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' I' I ' 79' ' ' VAL . . . . . 0.516 HG22 ' HA ' ' I' ' 25' ' ' PRO . 77.5 t -68.58 113.97 19.12 Favored Pre-proline 0 C--N 1.288 -2.083 0 O-C-N 126.177 2.173 . . . . 12.41 111.186 -179.761 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 80' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -67.11 136.82 42.15 Favored 'Trans proline' 0 C--O 1.269 2.047 0 O-C-N 128.234 3.755 . . . . 16.05 109.794 176.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 81' ' ' ARG . . . . . . . . . . . . 0.303 6.6 mtt180 -140.39 150.47 43.93 Favored 'General case' 0 C--N 1.289 -2.032 2 O-C-N 115.653 -4.404 . . . . 55.47 110.554 179.818 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' I' I ' 82' ' ' VAL . . . . . . . . . . . . . 3.0 t -72.65 143.07 14.35 Favored 'Isoleucine or valine' 0 C--O 1.271 2.202 0 O-C-N 126.443 2.339 . . . . 17.94 106.629 178.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.511 3.66 0 N-CA-C 104.814 -3.314 . . . . 16.21 104.814 176.291 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 107' ' ' HOH . . . . . 0.557 ' O ' ' HD2' ' I' ' 67' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 20' ' ' MET . . . . . . . . . . . . . 9.6 ttt . . . . . 0 CA--C 1.443 -3.154 0 CA-C-O 123.914 1.816 . . . . 42.53 109.532 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 21' ' ' LYS . . . . . . . . . . . . 0.424 83.0 tttt -99.98 157.94 16.18 Favored 'General case' 1 C--N 1.129 -8.995 1 O-C-N 115.124 -4.735 . . . . 32.12 105.412 -177.712 . . . . . . . . 4 2 . 1 . 001 ecloud nobuild full ' I' I ' 22' ' ' THR . . . . . . . . . . . . . 71.0 p -130.26 -6.94 4.3 Favored 'General case' 0 C--O 1.263 1.779 0 CA-C-O 112.034 -3.841 . . . . 27.36 106.05 178.479 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 23' ' ' GLU . . . . . . . . . . . . 0.358 6.1 pt-20 -144.26 152.85 41.39 Favored 'General case' 0 N--CA 1.504 2.251 0 C-N-CA 112.322 -3.751 . . . . 39.94 111.827 176.777 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 24' ' ' TRP . . . . . . . . . . . . . 17.6 m-90 -128.72 70.59 80.71 Favored Pre-proline 0 CA--C 1.551 1.006 0 O-C-N 125.616 1.823 . . . . 17.36 113.442 -176.346 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 25' ' ' PRO . . . . . 0.516 ' HA ' HG22 ' I' ' 79' ' ' VAL . 17.2 Cg_exo -58.81 -31.29 94.89 Favored 'Trans proline' 0 C--O 1.271 2.151 0 C-N-CA 124.936 3.757 . . . . 17.77 109.866 -178.441 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 26' ' ' GLU . . . . . . . . . . . . . 24.7 pm0 -75.68 2.19 12.66 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 125.209 1.568 . . . . 22.72 113.413 -178.635 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 27' ' ' LEU . . . . . . . . . . . . . 39.3 mt -101.13 -7.93 22.72 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 114.125 1.157 . . . . 19.26 114.125 -178.622 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 28' ' ' VAL . . . . . . . . . . . . . 94.5 t -57.0 128.35 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 CA-C-O 117.387 -1.292 . . . . 16.92 107.864 176.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.46 -11.6 70.86 Favored Glycine 0 N--CA 1.42 -2.38 0 C-N-CA 126.175 1.845 . . . . 16.12 112.281 179.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 30' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -88.06 161.21 17.47 Favored 'General case' 0 CA--C 1.576 1.968 0 CA-C-N 119.994 1.897 . . . . 45.82 108.185 -177.587 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 31' ' ' SER . . . . . . . . . . . . . 68.4 p -69.95 166.92 18.57 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-O 119.237 -0.411 . . . . 15.94 110.49 -179.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 32' ' ' VAL . . . . . . . . . . . . . 9.5 t -65.77 -34.98 73.99 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.056 0 CA-C-O 118.477 -0.773 . . . . 17.82 109.448 177.198 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 33' ' ' GLU . . . . . . . . . . . . . 57.1 tt0 -66.27 -41.34 90.04 Favored 'General case' 0 N--CA 1.533 3.695 0 O-C-N 124.372 1.045 . . . . 34.19 109.515 -178.864 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 34' ' ' GLU . . . . . . . . . . . . 0.559 13.9 tt0 -88.74 -21.15 23.98 Favored 'General case' 1 N--CA 1.355 -5.193 1 C-N-CA 104.079 -7.048 . . . . 48.66 107.784 -174.076 . . . . . . . . 4 2 . 1 . 001 ecloud nobuild full ' I' I ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.87 -35.92 75.82 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 117.833 -3.042 . . . . 17.75 112.144 172.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 36' ' ' LYS . . . . . . . . . . . . . 7.8 mtmt -61.27 -43.15 99.34 Favored 'General case' 0 N--CA 1.517 2.882 0 O-C-N 126.294 2.246 . . . . 37.07 113.751 178.759 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 37' ' ' LYS . . . . . 0.624 ' NZ ' ' HB2' ' I' ' 37' ' ' LYS . 3.7 ttmp? -64.56 -43.19 94.7 Favored 'General case' 0 C--N 1.271 -2.808 0 C-N-CA 123.737 0.815 . . . . 38.56 109.425 -178.47 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 38' ' ' VAL . . . . . . . . . . . . . 55.4 t -65.3 -53.56 38.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 CA-C-O 127.408 3.48 . . . . 18.37 110.044 -179.747 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 39' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' I' ' 43' ' ' LYS . 15.3 mt -57.75 -43.73 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 O-C-N 117.93 -2.981 . . . . 18.18 110.831 -176.883 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 40' ' ' LEU . . . . . . . . . . . . . 46.7 mt -68.29 -29.5 68.29 Favored 'General case' 0 C--N 1.285 -2.227 0 O-C-N 125.169 1.543 . . . . 20.57 110.286 -177.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 41' ' ' GLN . . . . . . . . . . . . 0.259 67.0 mt-30 -67.06 -44.34 80.37 Favored 'General case' 0 C--N 1.406 3.056 0 C-N-CA 113.294 -3.362 . . . . 41.79 109.138 174.259 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 42' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -81.96 -22.11 36.83 Favored 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 115.559 1.689 . . . . 28.14 115.559 -179.715 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 43' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' I' ' 39' ' ' ILE . 33.1 tttp -143.1 85.89 9.5 Favored Pre-proline 0 N--CA 1.495 1.806 0 N-CA-C 104.851 -2.277 . . . . 16.88 104.851 -173.125 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 44' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -56.9 -29.17 80.89 Favored 'Trans proline' 0 C--O 1.27 2.09 1 O-C-N 129.732 4.543 . . . . 17.97 116.724 -178.098 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 45' ' ' GLU . . . . . . . . . . . . 0.323 14.7 pm0 -99.04 13.79 31.53 Favored 'General case' 0 C--N 1.28 -2.414 1 CA-C-N 126.62 4.282 . . . . 16.19 112.473 -178.211 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' I' I ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.26 137.51 55.89 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 115.468 -0.787 . . . . 14.33 110.965 -176.451 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 47' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -110.45 104.79 13.58 Favored 'General case' 0 C--N 1.285 -2.213 1 N-CA-C 99.171 -4.381 . . . . 22.22 99.171 174.756 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 48' ' ' ILE . . . . . . . . . . . . . 14.2 mt -87.77 122.89 39.99 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 O-C-N 127.102 2.751 . . . . 17.02 111.284 -178.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 49' ' ' ILE . . . . . . . . . . . . 0.317 26.4 mm -115.46 126.49 73.02 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 C-N-CA 128.75 2.82 . . . . 15.62 108.021 178.97 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 50' ' ' VAL . . . . . . . . . . . . . 60.2 t -107.38 112.16 38.85 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.066 0 O-C-N 116.534 -3.853 . . . . 13.27 110.37 -177.059 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 51' ' ' LEU . . . . . 0.439 ' O ' ' HA ' ' I' ' 69' ' ' PHE . 95.9 mt -125.77 143.93 46.72 Favored Pre-proline 0 C--O 1.2 -1.507 0 O-C-N 119.711 -1.868 . . . . 13.1 112.008 179.631 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 52' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -66.4 145.7 78.1 Favored 'Trans proline' 0 C--N 1.313 -1.307 1 CA-C-O 130.082 4.117 . . . . 12.98 105.061 175.06 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 53' ' ' VAL . . . . . . . . . . . . . 3.8 t -57.1 142.29 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 CA-C-N 110.357 -3.11 . . . . 16.12 107.121 176.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 54' ' ' GLY . . . . . . . . . . . . . . . 100.26 -12.96 60.27 Favored Glycine 0 C--O 1.266 2.099 0 O-C-N 126.333 2.27 . . . . 23.73 115.412 177.667 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 55' ' ' THR . . . . . . . . . . . . . 13.2 m -70.48 131.63 44.32 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 125.298 1.234 . . . . 25.26 108.7 179.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 56' ' ' ILE . . . . . . . . . . . . . 9.6 mt -89.67 127.47 42.28 Favored 'Isoleucine or valine' 0 C--O 1.259 1.594 0 O-C-N 120.103 -1.623 . . . . 34.74 106.882 176.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 57' ' ' VAL . . . . . . . . . . . . . 18.2 m -102.55 154.43 5.25 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.251 0 CA-C-N 114.82 -1.082 . . . . 32.21 109.361 -178.533 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 58' ' ' THR . . . . . . . . . . . . . 28.6 p -78.56 142.59 37.23 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 104.219 -2.511 . . . . 37.08 104.219 177.369 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 59' ' ' MET . . . . . . . . . . . . . 12.6 ptp -80.06 82.6 6.1 Favored 'General case' 0 C--N 1.314 -0.958 0 O-C-N 121.571 -0.706 . . . . 49.58 111.711 -176.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 60' ' ' GLU . . . . . 0.558 ' HG3' ' O ' ' I' ' 60' ' ' GLU . 5.8 pt-20 -132.47 112.85 12.47 Favored 'General case' 0 CA--C 1.565 1.526 0 O-C-N 125.095 1.497 . . . . 34.77 108.942 178.143 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 61' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -82.6 120.41 25.5 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 114.919 1.451 . . . . 30.57 114.919 -175.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 62' ' ' ARG . . . . . 0.431 ' HD3' ' OD1' ' I' ' 64' ' ' ASP . 11.0 mtt180 -125.95 121.88 34.37 Favored 'General case' 0 N--CA 1.526 3.327 0 C-N-CA 119.655 -0.818 . . . . 35.36 109.876 173.199 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 63' ' ' ILE . . . . . . . . . . . . . 8.5 tt -68.0 -22.83 28.27 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.977 0 CA-C-O 126.401 3.0 . . . . 33.62 115.369 -175.234 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 64' ' ' ASP . . . . . 0.431 ' OD1' ' HD3' ' I' ' 62' ' ' ARG . 20.8 p-10 -95.08 -6.74 41.34 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 112.848 -1.978 . . . . 27.07 112.407 -178.913 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 65' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -93.0 141.31 28.54 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-O 124.318 2.009 . . . . 15.68 113.637 -179.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 66' ' ' VAL . . . . . . . . . . . . . 47.9 t -133.09 110.84 15.74 Favored 'Isoleucine or valine' 0 C--N 1.35 0.598 0 CA-C-N 110.501 -3.045 . . . . 13.32 108.686 174.328 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 67' ' ' ARG . . . . . 0.557 ' HD2' ' O ' ' I' ' 107' ' ' HOH . 11.1 mtt180 -91.5 134.34 34.73 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.165 -1.38 . . . . 30.16 110.377 179.483 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 68' ' ' LEU . . . . . . . . . . . . . 52.8 mt -108.14 121.2 44.35 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-O 112.45 -3.643 . . . . 11.29 108.696 177.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 69' ' ' PHE . . . . . 0.439 ' HA ' ' O ' ' I' ' 51' ' ' LEU . 78.7 m-85 -100.87 111.19 23.36 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-N 122.578 2.445 . . . . 17.36 106.263 176.011 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 70' ' ' VAL . . . . . . . . . . . . . 18.0 m -105.77 154.95 6.9 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.9 0 C-N-CA 131.454 3.902 . . . . 11.62 113.982 -174.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 71' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -91.43 -174.91 4.06 Favored 'General case' 0 CA--C 1.596 2.733 2 O-C-N 131.747 5.655 . . . . 14.3 106.777 178.29 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 72' ' ' LYS . . . . . . . . . . . . 0.385 50.3 mttt -61.09 -17.63 53.61 Favored 'General case' 0 N--CA 1.509 2.485 0 N-CA-C 115.572 1.693 . . . . 29.14 115.572 178.725 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 73' ' ' LEU . . . . . . . . . . . . . 61.0 mt -102.77 14.16 32.63 Favored 'General case' 0 C--O 1.258 1.527 0 CA-C-O 113.463 -3.16 . . . . 19.68 107.501 -179.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 74' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 56.14 39.46 30.34 Favored 'General case' 0 C--O 1.252 1.2 0 O-C-N 128.144 3.403 . . . . 32.46 112.037 -176.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 75' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -103.14 144.83 30.8 Favored 'General case' 0 C--O 1.208 -1.09 0 N-CA-C 102.512 -3.144 . . . . 13.31 102.512 175.263 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 76' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.16 122.41 13.98 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.307 0 O-C-N 124.86 1.35 . . . . 10.03 107.75 177.268 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.4 -22.43 15.55 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 126.628 1.971 . . . . 9.66 114.327 -174.654 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 78' ' ' GLU . . . . . 0.435 ' HG2' ' HB2' ' I' ' 69' ' ' PHE . 5.3 pt-20 -137.31 172.69 12.61 Favored 'General case' 0 N--CA 1.486 1.366 1 O-C-N 131.478 5.486 . . . . 27.17 106.577 178.756 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' I' I ' 79' ' ' VAL . . . . . 0.516 HG22 ' HA ' ' I' ' 25' ' ' PRO . 77.5 t -68.58 113.97 19.12 Favored Pre-proline 0 C--N 1.288 -2.083 0 O-C-N 126.177 2.173 . . . . 12.41 111.186 -179.761 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 80' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -67.11 136.82 42.15 Favored 'Trans proline' 0 C--O 1.269 2.047 0 O-C-N 128.234 3.755 . . . . 16.05 109.794 176.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 81' ' ' ARG . . . . . . . . . . . . 0.303 6.6 mtt180 -140.39 150.47 43.93 Favored 'General case' 0 C--N 1.289 -2.032 2 O-C-N 115.653 -4.404 . . . . 55.47 110.554 179.818 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' I' I ' 82' ' ' VAL . . . . . . . . . . . . . 3.0 t -72.65 143.07 14.35 Favored 'Isoleucine or valine' 0 C--O 1.271 2.202 0 O-C-N 126.443 2.339 . . . . 17.94 106.629 178.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.511 3.66 0 N-CA-C 104.814 -3.314 . . . . 16.21 104.814 176.291 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 107' ' ' HOH . . . . . 0.557 ' O ' ' HD2' ' I' ' 67' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_