data_9msi_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 9msi _Structure_validation_residue.Date_analyzed 2016-10-13 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 ' 0' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.817 0 N-CA-C 104.076 -2.565 . . . . 42.909999999999997 104.076 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . . . 52.64 27.55 5.3 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 119.586 3.18 . . . . 37.630000000000003 119.586 174.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -84.29 125.81 32.6 Favored 'General case' 0 C--O 1.244 0.782 0 N-CA-C 101.188 -3.634 . . . . 34.329999999999998 101.188 171.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -97.0 135.48 38.94 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 120.421 1.464 . . . . 10.93 108.933 178.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.4 m -108.42 164.95 11.88 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-O 122.355 1.074 . . . . 5.1799999999999997 110.663 178.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 16.1 t -74.22 126.11 34.49 Favored 'Isoleucine or valine' 0 C--O 1.242 0.696 0 CA-C-N 112.07 -2.332 . . . . 6.3799999999999999 108.439 173.541 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 94.4 t -123.0 139.69 49.0 Favored 'Isoleucine or valine' 0 C--N 1.352 0.69 0 N-CA-C 107.356 -1.349 . . . . 5.4500000000000002 107.356 178.666 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.02 118.0 7.23 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-N 115.139 -0.937 . . . . 4.1600000000000001 111.232 177.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -81.43 -18.92 43.68 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 125.367 2.508 . . . . 11.869999999999999 112.813 -179.324 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -152.35 178.73 9.22 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 104.173 -2.529 . . . . 14.32 104.173 174.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -73.64 126.73 30.97 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 103.357 -2.831 . . . . 9.9900000000000002 103.357 177.456 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.9 mt -99.36 110.93 60.07 Favored Pre-proline 0 C--N 1.318 -0.801 0 N-CA-C 103.68 -2.711 . . . . 8.5999999999999996 103.68 178.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -67.36 156.64 65.35 Favored 'Trans proline' 0 C--N 1.324 -0.715 0 C-N-CA 123.884 3.056 . . . . 11.19 110.941 -174.04 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.3 tt -57.04 141.48 14.0 Favored 'Isoleucine or valine' 0 C--O 1.244 0.779 0 CA-C-N 119.114 0.87 . . . . 10.800000000000001 110.6 177.671 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ASN . . . . . 0.417 ' ND2' ' NZ ' ' A' ' 61' ' ' LYS . 4.5 m120 59.66 18.31 7.03 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-O 123.656 1.693 . . . . 32.659999999999997 114.809 175.777 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 52.4 m -96.43 142.51 28.45 Favored 'General case' 0 N--CA 1.446 -0.67 0 O-C-N 119.128 -2.233 . . . . 13.779999999999999 105.163 -178.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.09 133.55 45.29 Favored 'General case' 0 C--O 1.244 0.81 0 C-N-CA 126.304 1.841 . . . . 14.699999999999999 109.504 174.317 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.7 mt -75.98 143.62 41.43 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 123.495 1.617 . . . . 13.210000000000001 110.047 -176.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -139.21 160.46 39.75 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 114.385 -1.28 . . . . 25.43 109.187 179.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.2 mt -64.04 -11.06 25.88 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 118.52 2.785 . . . . 18.73 118.52 -178.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 37.1 t -81.87 -27.51 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 O-C-N 117.575 -3.203 . . . . 19.210000000000001 106.741 177.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 54.7 mtt -73.42 -20.75 60.65 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 117.347 2.351 . . . . 10.77 117.347 179.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 52.9 mtm -122.71 131.39 53.77 Favored 'General case' 0 C--O 1.254 1.337 0 CA-C-N 121.519 1.963 . . . . 14.15 113.506 -172.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -127.08 166.54 17.43 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 116.533 -1.698 . . . . 24.699999999999999 106.842 174.891 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.8 p -116.27 151.93 34.83 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-N 124.022 3.101 . . . . 24.27 112.759 174.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -152.75 161.58 42.38 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 108.706 -0.85 . . . . 30.300000000000001 108.706 178.151 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.6 t -90.99 105.01 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 N-CA-C 104.347 -2.464 . . . . 9.7300000000000004 104.347 174.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.6 m -126.25 164.82 25.45 Favored 'Isoleucine or valine' 0 C--O 1.248 0.998 0 CA-C-N 114.237 -1.347 . . . . 13.949999999999999 107.916 -179.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.1 m -130.27 125.04 21.62 Favored Pre-proline 0 C--O 1.238 0.473 0 O-C-N 126.526 2.391 . . . . 20.059999999999999 106.125 -177.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.44 166.91 67.91 Favored 'Cis proline' 0 C--N 1.325 -0.671 0 CA-C-N 124.032 2.476 . . . . 12.619999999999999 116.299 -1.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.7 t -79.88 136.85 22.67 Favored 'Isoleucine or valine' 0 C--O 1.243 0.711 0 N-CA-C 106.588 -1.634 . . . . 13.09 106.588 179.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -110.87 -150.93 12.25 Favored Glycine 0 C--N 1.348 1.225 0 O-C-N 125.054 1.472 . . . . 9.2699999999999996 111.614 178.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.35 132.48 92.72 Favored Pre-proline 0 C--O 1.249 1.043 0 CA-C-N 121.487 2.643 . . . . 10.48 108.007 177.456 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -58.49 143.13 98.33 Favored 'Trans proline' 0 CA--C 1.507 -0.874 0 C-N-CA 122.899 2.4 . . . . 7.4000000000000004 114.737 -179.815 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.08 -33.06 62.46 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 114.203 1.186 . . . . 11.029999999999999 114.203 179.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -67.37 -11.32 57.4 Favored 'General case' 0 CA--C 1.51 -0.58 0 N-CA-C 114.629 1.344 . . . . 45.829999999999998 114.629 -179.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -90.65 4.5 51.23 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-O 116.341 -1.79 . . . . 19.629999999999999 111.552 177.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 70.5 mt -55.71 -48.38 96.66 Favored Pre-proline 0 CA--C 1.545 0.786 0 CA-C-N 121.502 1.955 . . . . 16.629999999999999 111.9 175.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -44.37 -42.22 13.71 Favored 'Trans proline' 0 C--O 1.22 -0.381 0 CA-C-N 126.389 3.317 . . . . 14.699999999999999 116.02 169.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.14 -27.11 32.93 Favored 'General case' 0 CA--C 1.503 -0.834 0 O-C-N 119.644 -1.91 . . . . 45.590000000000003 112.021 -174.132 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.2 mt -70.96 -19.48 62.55 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-O 118.09 -0.957 . . . . 12.43 112.016 176.522 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.3 t -57.04 131.84 21.0 Favored 'Isoleucine or valine' 0 C--N 1.339 0.144 0 CA-C-N 121.21 1.823 . . . . 13.5 111.748 179.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.3 m 75.53 -3.27 2.62 Favored 'General case' 0 CA--C 1.508 -0.653 0 C-N-CA 127.666 2.386 . . . . 28.289999999999999 116.721 -172.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.0 mtp -85.89 156.09 20.67 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 121.512 1.96 . . . . 24.989999999999998 107.238 176.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -104.17 148.78 25.91 Favored 'General case' 0 CA--C 1.497 -1.077 0 CA-C-N 115.3 -0.864 . . . . 28.550000000000001 110.899 -175.232 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.2 m -88.45 157.2 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.752 0 O-C-N 124.742 1.276 . . . . 9.5 108.019 172.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 49.2 p30 -105.12 -1.61 25.31 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 120.878 -1.139 . . . . 14.32 112.211 179.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -144.1 154.97 43.75 Favored 'General case' 0 C--O 1.241 0.656 0 N-CA-C 106.501 -1.666 . . . . 19.579999999999998 106.501 177.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.3 131.89 46.64 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 107.593 -1.262 . . . . 10.4 107.593 175.606 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 62.6 t -111.99 105.38 56.44 Favored Pre-proline 0 N--CA 1.439 -0.983 0 N-CA-C 106.056 -1.831 . . . . 6.8700000000000001 106.056 -175.561 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -58.22 146.72 87.62 Favored 'Trans proline' 0 C--O 1.239 0.551 0 C-N-CA 124.618 3.545 . . . . 9.2100000000000009 116.263 177.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.5 tp -46.69 129.82 11.36 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 124.671 1.189 . . . . 7.8200000000000003 113.941 179.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.05 0.23 88.46 Favored Glycine 0 CA--C 1.531 1.083 0 CA-C-O 118.088 -1.396 . . . . 9.4299999999999997 114.427 -178.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 71.7 m -72.13 141.14 49.15 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 121.948 2.874 . . . . 5.0199999999999996 109.676 177.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 19.8 m -78.02 138.22 38.69 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-N 122.02 2.191 . . . . 4.4800000000000004 105.207 174.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.6 mp -82.77 126.29 32.24 Favored 'General case' 0 CA--C 1.5 -0.954 0 N-CA-C 108.633 -0.877 . . . . 9.6500000000000004 108.633 177.692 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 23.4 mmt -107.82 154.14 41.16 Favored Pre-proline 0 C--O 1.243 0.754 0 CA-C-N 113.208 -1.815 . . . . 12.31 110.257 -177.36 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -54.45 -41.15 79.42 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 124.755 3.637 . . . . 7.0300000000000002 115.342 -175.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.7 p-10 -64.61 -11.97 40.64 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 116.251 1.945 . . . . 21.079999999999998 116.251 177.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 52.6 mtt -89.85 -18.85 25.43 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 115.251 1.575 . . . . 9.1699999999999999 115.251 -179.614 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.9 t -106.38 119.92 56.6 Favored 'Isoleucine or valine' 0 C--O 1.241 0.608 0 CA-C-O 122.987 1.375 . . . . 8.0700000000000003 110.08 -174.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LYS . . . . . 0.417 ' NZ ' ' ND2' ' A' ' 14' ' ' ASN . 87.9 mttt -68.5 120.77 15.08 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 114.683 -1.144 . . . . 22.91 110.356 -178.529 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.42 9.3 61.82 Favored Glycine 0 C--O 1.246 0.875 0 CA-C-O 121.526 0.514 . . . . 16.550000000000001 111.871 177.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -85.12 131.18 34.48 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 124.249 1.976 . . . . 27.23 109.52 -177.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -151.07 130.15 12.63 Favored 'General case' 0 C--N 1.299 -1.59 1 N-CA-C 99.351 -4.314 . . . . 39.200000000000003 99.351 172.973 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.118 0 N-CA-C 106.115 -1.809 . . . . 46.18 106.115 179.987 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.817 0 N-CA-C 104.076 -2.565 . . . . 42.909999999999997 104.076 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . . . 52.64 27.55 5.3 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 119.586 3.18 . . . . 37.630000000000003 119.586 174.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -84.29 125.81 32.6 Favored 'General case' 0 C--O 1.244 0.782 0 N-CA-C 101.188 -3.634 . . . . 34.329999999999998 101.188 171.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -97.0 135.48 38.94 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 120.421 1.464 . . . . 10.93 108.933 178.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.4 m -108.42 164.95 11.88 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-O 122.355 1.074 . . . . 5.1799999999999997 110.663 178.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 16.1 t -74.22 126.11 34.49 Favored 'Isoleucine or valine' 0 C--O 1.242 0.696 0 CA-C-N 112.07 -2.332 . . . . 6.3799999999999999 108.439 173.541 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 94.4 t -123.0 139.69 49.0 Favored 'Isoleucine or valine' 0 C--N 1.352 0.69 0 N-CA-C 107.356 -1.349 . . . . 5.4500000000000002 107.356 178.666 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.02 118.0 7.23 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-N 115.139 -0.937 . . . . 4.1600000000000001 111.232 177.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -81.43 -18.92 43.68 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 125.367 2.508 . . . . 11.869999999999999 112.813 -179.324 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -152.35 178.73 9.22 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 104.173 -2.529 . . . . 14.32 104.173 174.44 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -73.64 126.73 30.97 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 103.357 -2.831 . . . . 9.9900000000000002 103.357 177.456 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.9 mt -99.36 110.93 60.07 Favored Pre-proline 0 C--N 1.318 -0.801 0 N-CA-C 103.68 -2.711 . . . . 8.5999999999999996 103.68 178.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -67.36 156.64 65.35 Favored 'Trans proline' 0 C--N 1.324 -0.715 0 C-N-CA 123.884 3.056 . . . . 11.19 110.941 -174.04 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.3 tt -57.04 141.48 14.0 Favored 'Isoleucine or valine' 0 C--O 1.244 0.779 0 CA-C-N 119.114 0.87 . . . . 10.800000000000001 110.6 177.671 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 59.66 18.31 7.03 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-O 123.656 1.693 . . . . 32.659999999999997 114.809 175.777 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 52.4 m -96.43 142.51 28.45 Favored 'General case' 0 N--CA 1.446 -0.67 0 O-C-N 119.128 -2.233 . . . . 13.779999999999999 105.163 -178.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.09 133.55 45.29 Favored 'General case' 0 C--O 1.244 0.81 0 C-N-CA 126.304 1.841 . . . . 14.699999999999999 109.504 174.317 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.7 mt -75.98 143.62 41.43 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 123.495 1.617 . . . . 13.210000000000001 110.047 -176.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -139.21 160.46 39.75 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 114.385 -1.28 . . . . 25.43 109.187 179.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.2 mt -64.04 -11.06 25.88 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 118.52 2.785 . . . . 18.73 118.52 -178.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 37.1 t -81.87 -27.51 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 O-C-N 117.575 -3.203 . . . . 19.210000000000001 106.741 177.723 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 54.7 mtt -73.42 -20.75 60.65 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 117.347 2.351 . . . . 10.77 117.347 179.565 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 52.9 mtm -122.71 131.39 53.77 Favored 'General case' 0 C--O 1.254 1.337 0 CA-C-N 121.519 1.963 . . . . 14.15 113.506 -172.487 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -127.08 166.54 17.43 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 116.533 -1.698 . . . . 24.699999999999999 106.842 174.891 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.8 p -116.27 151.93 34.83 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-N 124.022 3.101 . . . . 24.27 112.759 174.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -152.75 161.58 42.38 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 108.706 -0.85 . . . . 30.300000000000001 108.706 178.151 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.6 t -90.99 105.01 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 N-CA-C 104.347 -2.464 . . . . 9.7300000000000004 104.347 174.826 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.6 m -126.25 164.82 25.45 Favored 'Isoleucine or valine' 0 C--O 1.248 0.998 0 CA-C-N 114.237 -1.347 . . . . 13.949999999999999 107.916 -179.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.1 m -130.27 125.04 21.62 Favored Pre-proline 0 C--O 1.238 0.473 0 O-C-N 126.526 2.391 . . . . 20.059999999999999 106.125 -177.461 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.44 166.91 67.91 Favored 'Cis proline' 0 C--N 1.325 -0.671 0 CA-C-N 124.032 2.476 . . . . 12.619999999999999 116.299 -1.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.7 t -79.88 136.85 22.67 Favored 'Isoleucine or valine' 0 C--O 1.243 0.711 0 N-CA-C 106.588 -1.634 . . . . 13.09 106.588 179.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -110.87 -150.93 12.25 Favored Glycine 0 C--N 1.348 1.225 0 O-C-N 125.054 1.472 . . . . 9.2699999999999996 111.614 178.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.35 132.48 92.72 Favored Pre-proline 0 C--O 1.249 1.043 0 CA-C-N 121.487 2.643 . . . . 10.48 108.007 177.456 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -58.49 143.13 98.33 Favored 'Trans proline' 0 CA--C 1.507 -0.874 0 C-N-CA 122.899 2.4 . . . . 7.4000000000000004 114.737 -179.815 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.08 -33.06 62.46 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 114.203 1.186 . . . . 11.029999999999999 114.203 179.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -67.37 -11.32 57.4 Favored 'General case' 0 CA--C 1.51 -0.58 0 N-CA-C 114.629 1.344 . . . . 45.829999999999998 114.629 -179.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -90.65 4.5 51.23 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-O 116.341 -1.79 . . . . 19.629999999999999 111.552 177.41 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 70.5 mt -55.71 -48.38 96.66 Favored Pre-proline 0 CA--C 1.545 0.786 0 CA-C-N 121.502 1.955 . . . . 16.629999999999999 111.9 175.532 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -44.37 -42.22 13.71 Favored 'Trans proline' 0 C--O 1.22 -0.381 0 CA-C-N 126.389 3.317 . . . . 14.699999999999999 116.02 169.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ARG . . . . . 0.665 HH21 ' HA ' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -82.14 -27.11 32.93 Favored 'General case' 0 CA--C 1.503 -0.834 0 O-C-N 119.644 -1.91 . . . . 45.590000000000003 112.021 -174.132 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.2 mt -70.96 -19.48 62.55 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-O 118.09 -0.957 . . . . 12.43 112.016 176.522 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.3 t -57.04 131.84 21.0 Favored 'Isoleucine or valine' 0 C--N 1.339 0.144 0 CA-C-N 121.21 1.823 . . . . 13.5 111.748 179.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.3 m 75.53 -3.27 2.62 Favored 'General case' 0 CA--C 1.508 -0.653 0 C-N-CA 127.666 2.386 . . . . 28.289999999999999 116.721 -172.839 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.0 mtp -85.89 156.09 20.67 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 121.512 1.96 . . . . 24.989999999999998 107.238 176.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -104.17 148.78 25.91 Favored 'General case' 0 CA--C 1.497 -1.077 0 CA-C-N 115.3 -0.864 . . . . 28.550000000000001 110.899 -175.232 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.2 m -88.45 157.2 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.752 0 O-C-N 124.742 1.276 . . . . 9.5 108.019 172.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 49.2 p30 -105.12 -1.61 25.31 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 120.878 -1.139 . . . . 14.32 112.211 179.579 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -144.1 154.97 43.75 Favored 'General case' 0 C--O 1.241 0.656 0 N-CA-C 106.501 -1.666 . . . . 19.579999999999998 106.501 177.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.3 131.89 46.64 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 107.593 -1.262 . . . . 10.4 107.593 175.606 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 62.6 t -111.99 105.38 56.44 Favored Pre-proline 0 N--CA 1.439 -0.983 0 N-CA-C 106.056 -1.831 . . . . 6.8700000000000001 106.056 -175.561 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -58.22 146.72 87.62 Favored 'Trans proline' 0 C--O 1.239 0.551 0 C-N-CA 124.618 3.545 . . . . 9.2100000000000009 116.263 177.282 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.5 tp -46.69 129.82 11.36 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 124.671 1.189 . . . . 7.8200000000000003 113.941 179.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.05 0.23 88.46 Favored Glycine 0 CA--C 1.531 1.083 0 CA-C-O 118.088 -1.396 . . . . 9.4299999999999997 114.427 -178.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 71.7 m -72.13 141.14 49.15 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 121.948 2.874 . . . . 5.0199999999999996 109.676 177.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 19.8 m -78.02 138.22 38.69 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-N 122.02 2.191 . . . . 4.4800000000000004 105.207 174.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.6 mp -82.77 126.29 32.24 Favored 'General case' 0 CA--C 1.5 -0.954 0 N-CA-C 108.633 -0.877 . . . . 9.6500000000000004 108.633 177.692 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 23.4 mmt -107.82 154.14 41.16 Favored Pre-proline 0 C--O 1.243 0.754 0 CA-C-N 113.208 -1.815 . . . . 12.31 110.257 -177.36 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -54.45 -41.15 79.42 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 124.755 3.637 . . . . 7.0300000000000002 115.342 -175.61 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.7 p-10 -64.61 -11.97 40.64 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 116.251 1.945 . . . . 21.079999999999998 116.251 177.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 52.6 mtt -89.85 -18.85 25.43 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 115.251 1.575 . . . . 9.1699999999999999 115.251 -179.614 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.9 t -106.38 119.92 56.6 Favored 'Isoleucine or valine' 0 C--O 1.241 0.608 0 CA-C-O 122.987 1.375 . . . . 8.0700000000000003 110.08 -174.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -68.5 120.77 15.08 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 114.683 -1.144 . . . . 22.91 110.356 -178.529 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.42 9.3 61.82 Favored Glycine 0 C--O 1.246 0.875 0 CA-C-O 121.526 0.514 . . . . 16.550000000000001 111.871 177.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' TYR . . . . . 0.44 ' OH ' ' HB2' ' A' ' 65' ' ' ALA . 81.1 t80 -85.12 131.18 34.48 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 124.249 1.976 . . . . 27.23 109.52 -177.923 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -151.07 130.15 12.63 Favored 'General case' 0 C--N 1.299 -1.59 1 N-CA-C 99.351 -4.314 . . . . 39.200000000000003 99.351 172.973 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ALA . . . . . 0.665 ' HA ' HH21 ' A' ' 39' ' ' ARG . . . . . . . . 0 N--CA 1.437 -1.118 0 N-CA-C 106.115 -1.809 . . . . 46.18 106.115 179.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.817 0 N-CA-C 104.076 -2.565 . . . . 42.909999999999997 104.076 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . . . 52.64 27.55 5.3 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 119.586 3.18 . . . . 37.630000000000003 119.586 174.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -84.29 125.81 32.6 Favored 'General case' 0 C--O 1.244 0.782 0 N-CA-C 101.188 -3.634 . . . . 34.329999999999998 101.188 171.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -97.0 135.48 38.94 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 120.421 1.464 . . . . 10.93 108.933 178.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.4 m -108.42 164.95 11.88 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-O 122.355 1.074 . . . . 5.1799999999999997 110.663 178.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 16.1 t -74.22 126.11 34.49 Favored 'Isoleucine or valine' 0 C--O 1.242 0.696 0 CA-C-N 112.07 -2.332 . . . . 6.3799999999999999 108.439 173.541 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 94.4 t -123.0 139.69 49.0 Favored 'Isoleucine or valine' 0 C--N 1.352 0.69 0 N-CA-C 107.356 -1.349 . . . . 5.4500000000000002 107.356 178.666 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.02 118.0 7.23 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-N 115.139 -0.937 . . . . 4.1600000000000001 111.232 177.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -81.43 -18.92 43.68 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 125.367 2.508 . . . . 11.869999999999999 112.813 -179.324 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -152.35 178.73 9.22 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 104.173 -2.529 . . . . 14.32 104.173 174.44 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -73.64 126.73 30.97 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 103.357 -2.831 . . . . 9.9900000000000002 103.357 177.456 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.9 mt -99.36 110.93 60.07 Favored Pre-proline 0 C--N 1.318 -0.801 0 N-CA-C 103.68 -2.711 . . . . 8.5999999999999996 103.68 178.267 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -67.36 156.64 65.35 Favored 'Trans proline' 0 C--N 1.324 -0.715 0 C-N-CA 123.884 3.056 . . . . 11.19 110.941 -174.04 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.3 tt -57.04 141.48 14.0 Favored 'Isoleucine or valine' 0 C--O 1.244 0.779 0 CA-C-N 119.114 0.87 . . . . 10.800000000000001 110.6 177.671 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.431 HD21 ' HZ1' ' A' ' 61' ' ' LYS . 4.5 m120 59.66 18.31 7.03 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-O 123.656 1.693 . . . . 32.659999999999997 114.809 175.777 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 52.4 m -96.43 142.51 28.45 Favored 'General case' 0 N--CA 1.446 -0.67 0 O-C-N 119.128 -2.233 . . . . 13.779999999999999 105.163 -178.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.09 133.55 45.29 Favored 'General case' 0 C--O 1.244 0.81 0 C-N-CA 126.304 1.841 . . . . 14.699999999999999 109.504 174.317 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.7 mt -75.98 143.62 41.43 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 123.495 1.617 . . . . 13.210000000000001 110.047 -176.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -139.21 160.46 39.75 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 114.385 -1.28 . . . . 25.43 109.187 179.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.2 mt -64.04 -11.06 25.88 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 118.52 2.785 . . . . 18.73 118.52 -178.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 37.1 t -81.87 -27.51 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 O-C-N 117.575 -3.203 . . . . 19.210000000000001 106.741 177.723 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 54.7 mtt -73.42 -20.75 60.65 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 117.347 2.351 . . . . 10.77 117.347 179.565 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 52.9 mtm -122.71 131.39 53.77 Favored 'General case' 0 C--O 1.254 1.337 0 CA-C-N 121.519 1.963 . . . . 14.15 113.506 -172.487 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -127.08 166.54 17.43 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 116.533 -1.698 . . . . 24.699999999999999 106.842 174.891 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.8 p -116.27 151.93 34.83 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-N 124.022 3.101 . . . . 24.27 112.759 174.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -152.75 161.58 42.38 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 108.706 -0.85 . . . . 30.300000000000001 108.706 178.151 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.6 t -90.99 105.01 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 N-CA-C 104.347 -2.464 . . . . 9.7300000000000004 104.347 174.826 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.6 m -126.25 164.82 25.45 Favored 'Isoleucine or valine' 0 C--O 1.248 0.998 0 CA-C-N 114.237 -1.347 . . . . 13.949999999999999 107.916 -179.582 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.1 m -130.27 125.04 21.62 Favored Pre-proline 0 C--O 1.238 0.473 0 O-C-N 126.526 2.391 . . . . 20.059999999999999 106.125 -177.461 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.44 166.91 67.91 Favored 'Cis proline' 0 C--N 1.325 -0.671 0 CA-C-N 124.032 2.476 . . . . 12.619999999999999 116.299 -1.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.7 t -79.88 136.85 22.67 Favored 'Isoleucine or valine' 0 C--O 1.243 0.711 0 N-CA-C 106.588 -1.634 . . . . 13.09 106.588 179.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -110.87 -150.93 12.25 Favored Glycine 0 C--N 1.348 1.225 0 O-C-N 125.054 1.472 . . . . 9.2699999999999996 111.614 178.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.35 132.48 92.72 Favored Pre-proline 0 C--O 1.249 1.043 0 CA-C-N 121.487 2.643 . . . . 10.48 108.007 177.456 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -58.49 143.13 98.33 Favored 'Trans proline' 0 CA--C 1.507 -0.874 0 C-N-CA 122.899 2.4 . . . . 7.4000000000000004 114.737 -179.815 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.08 -33.06 62.46 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 114.203 1.186 . . . . 11.029999999999999 114.203 179.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -67.37 -11.32 57.4 Favored 'General case' 0 CA--C 1.51 -0.58 0 N-CA-C 114.629 1.344 . . . . 45.829999999999998 114.629 -179.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -90.65 4.5 51.23 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-O 116.341 -1.79 . . . . 19.629999999999999 111.552 177.41 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 70.5 mt -55.71 -48.38 96.66 Favored Pre-proline 0 CA--C 1.545 0.786 0 CA-C-N 121.502 1.955 . . . . 16.629999999999999 111.9 175.532 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -44.37 -42.22 13.71 Favored 'Trans proline' 0 C--O 1.22 -0.381 0 CA-C-N 126.389 3.317 . . . . 14.699999999999999 116.02 169.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.665 HH21 ' HA ' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -82.14 -27.11 32.93 Favored 'General case' 0 CA--C 1.503 -0.834 0 O-C-N 119.644 -1.91 . . . . 45.590000000000003 112.021 -174.132 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.2 mt -70.96 -19.48 62.55 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-O 118.09 -0.957 . . . . 12.43 112.016 176.522 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.3 t -57.04 131.84 21.0 Favored 'Isoleucine or valine' 0 C--N 1.339 0.144 0 CA-C-N 121.21 1.823 . . . . 13.5 111.748 179.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.3 m 75.53 -3.27 2.62 Favored 'General case' 0 CA--C 1.508 -0.653 0 C-N-CA 127.666 2.386 . . . . 28.289999999999999 116.721 -172.839 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.0 mtp -85.89 156.09 20.67 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 121.512 1.96 . . . . 24.989999999999998 107.238 176.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -104.17 148.78 25.91 Favored 'General case' 0 CA--C 1.497 -1.077 0 CA-C-N 115.3 -0.864 . . . . 28.550000000000001 110.899 -175.232 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.2 m -88.45 157.2 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.752 0 O-C-N 124.742 1.276 . . . . 9.5 108.019 172.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 49.2 p30 -105.12 -1.61 25.31 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 120.878 -1.139 . . . . 14.32 112.211 179.579 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -144.1 154.97 43.75 Favored 'General case' 0 C--O 1.241 0.656 0 N-CA-C 106.501 -1.666 . . . . 19.579999999999998 106.501 177.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.3 131.89 46.64 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 107.593 -1.262 . . . . 10.4 107.593 175.606 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 62.6 t -111.99 105.38 56.44 Favored Pre-proline 0 N--CA 1.439 -0.983 0 N-CA-C 106.056 -1.831 . . . . 6.8700000000000001 106.056 -175.561 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -58.22 146.72 87.62 Favored 'Trans proline' 0 C--O 1.239 0.551 0 C-N-CA 124.618 3.545 . . . . 9.2100000000000009 116.263 177.282 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.5 tp -46.69 129.82 11.36 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 124.671 1.189 . . . . 7.8200000000000003 113.941 179.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.05 0.23 88.46 Favored Glycine 0 CA--C 1.531 1.083 0 CA-C-O 118.088 -1.396 . . . . 9.4299999999999997 114.427 -178.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 71.7 m -72.13 141.14 49.15 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 121.948 2.874 . . . . 5.0199999999999996 109.676 177.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 19.8 m -78.02 138.22 38.69 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-N 122.02 2.191 . . . . 4.4800000000000004 105.207 174.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.6 mp -82.77 126.29 32.24 Favored 'General case' 0 CA--C 1.5 -0.954 0 N-CA-C 108.633 -0.877 . . . . 9.6500000000000004 108.633 177.692 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 23.4 mmt -107.82 154.14 41.16 Favored Pre-proline 0 C--O 1.243 0.754 0 CA-C-N 113.208 -1.815 . . . . 12.31 110.257 -177.36 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -54.45 -41.15 79.42 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 124.755 3.637 . . . . 7.0300000000000002 115.342 -175.61 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.7 p-10 -64.61 -11.97 40.64 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 116.251 1.945 . . . . 21.079999999999998 116.251 177.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 52.6 mtt -89.85 -18.85 25.43 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 115.251 1.575 . . . . 9.1699999999999999 115.251 -179.614 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.9 t -106.38 119.92 56.6 Favored 'Isoleucine or valine' 0 C--O 1.241 0.608 0 CA-C-O 122.987 1.375 . . . . 8.0700000000000003 110.08 -174.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.431 ' HZ1' HD21 ' A' ' 14' ' ' ASN . 87.9 mttt -68.5 120.77 15.08 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 114.683 -1.144 . . . . 22.91 110.356 -178.529 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.42 9.3 61.82 Favored Glycine 0 C--O 1.246 0.875 0 CA-C-O 121.526 0.514 . . . . 16.550000000000001 111.871 177.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.44 ' OH ' ' HB2' ' A' ' 65' ' ' ALA . 81.1 t80 -85.12 131.18 34.48 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 124.249 1.976 . . . . 27.23 109.52 -177.923 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -151.07 130.15 12.63 Favored 'General case' 0 C--N 1.299 -1.59 1 N-CA-C 99.351 -4.314 . . . . 39.200000000000003 99.351 172.973 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.665 ' HA ' HH21 ' A' ' 39' ' ' ARG . . . . . . . . 0 N--CA 1.437 -1.118 0 N-CA-C 106.115 -1.809 . . . . 46.18 106.115 179.987 . . . . . . . . 1 1 . 1 stop_ save_