data_1ame_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 1ame _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.694 0 N-CA-C 114.668 1.359 . . . . 33.75 114.668 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . . . -83.31 40.9 0.74 Allowed 'General case' 0 N--CA 1.488 1.451 1 O-C-N 115.906 -4.246 . . . . 29.55 115.818 -165.755 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -92.06 127.62 37.6 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-O 123.294 1.521 . . . . 43.55 107.719 -176.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.45 142.04 28.1 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 112.686 -2.052 . . . . 18.54 112.758 -176.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 64.7 m -115.61 164.11 14.81 Favored 'General case' 0 C--O 1.254 1.321 0 C-N-CA 124.503 1.121 . . . . 11.37 108.356 -177.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.9 t -76.93 128.51 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 CA-C-N 113.206 -1.815 . . . . 11.4 107.21 173.127 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 52.2 t -124.24 141.34 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 N-CA-C 105.879 -1.897 . . . . 10.39 105.879 -179.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.8 117.04 6.94 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 120.905 -1.122 . . . . 9.79 111.342 179.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -84.89 -12.66 52.97 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 118.774 -2.454 . . . . 18.1 111.258 -177.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -152.75 166.59 31.71 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 107.044 -1.465 . . . . 24.82 107.044 173.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.1 tt -64.19 129.4 39.84 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 105.28 -2.119 . . . . 18.97 105.28 174.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 90.0 mt -102.05 114.21 65.59 Favored Pre-proline 0 N--CA 1.434 -1.266 0 N-CA-C 105.47 -2.048 . . . . 12.6 105.47 179.158 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -71.12 153.93 62.4 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.153 1.902 . . . . 14.66 112.966 179.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.2 tt -58.73 147.83 7.08 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 CA-C-O 124.137 1.922 . . . . 18.54 111.642 176.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 51.48 41.35 28.38 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-O 125.207 2.432 . . . . 26.07 114.996 174.452 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.3 m -127.58 134.21 49.72 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 104.8 -2.296 . . . . 16.37 104.8 -177.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.79 128.36 35.47 Favored 'General case' 0 CA--C 1.566 1.586 0 CA-C-N 114.45 -1.25 . . . . 13.11 111.71 179.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.0 mt -65.51 137.57 57.5 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-O 122.213 1.006 . . . . 16.05 111.531 179.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 29.8 p -125.85 163.36 23.1 Favored 'General case' 0 C--O 1.256 1.445 0 N-CA-C 106.071 -1.825 . . . . 13.25 106.071 176.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.2 -30.23 70.93 Favored 'General case' 0 C--N 1.348 0.503 0 N-CA-C 115.714 1.746 . . . . 15.4 115.714 -178.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.8 m -68.83 -17.69 22.29 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.847 0 CA-C-N 121.638 2.017 . . . . 19.43 112.096 176.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 61.1 mtt -81.71 -8.72 59.73 Favored 'General case' 0 CA--C 1.555 1.15 0 N-CA-C 114.989 1.477 . . . . 12.81 114.989 178.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 64.0 mtm -128.58 126.25 39.92 Favored 'General case' 0 CA--C 1.504 -0.809 0 O-C-N 120.322 -1.487 . . . . 15.3 114.008 -170.396 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 -121.66 175.39 6.26 Favored 'General case' 0 C--O 1.257 1.459 0 N-CA-C 106.511 -1.663 . . . . 27.43 106.511 174.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.8 t -116.13 132.83 56.55 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 106.428 -1.693 . . . . 16.3 106.428 -176.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -150.1 143.78 25.31 Favored 'General case' 0 N--CA 1.434 -1.274 0 C-N-CA 120.408 -0.517 . . . . 25.36 110.593 -179.674 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.0 t -80.03 107.97 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 O-C-N 118.787 -2.446 . . . . 14.16 108.844 170.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.3 m -130.94 165.3 31.72 Favored 'Isoleucine or valine' 0 C--O 1.253 1.251 0 O-C-N 121.473 -0.767 . . . . 13.26 110.425 -179.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.6 m -129.89 130.61 23.18 Favored Pre-proline 0 CA--C 1.544 0.741 0 CA-C-O 115.584 -2.15 . . . . 22.77 110.764 178.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -64.18 163.88 55.2 Favored 'Cis proline' 0 C--O 1.222 -0.319 0 CA-C-N 122.351 1.875 . . . . 14.99 116.869 -7.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 51.8 t -76.82 134.15 29.39 Favored 'Isoleucine or valine' 0 C--O 1.259 1.602 0 N-CA-C 107.73 -1.211 . . . . 20.22 107.73 -177.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.5 -146.51 11.47 Favored Glycine 0 CA--C 1.534 1.243 0 CA-C-O 123.31 1.505 . . . . 10.99 110.162 176.214 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.5 mt -62.14 127.19 89.12 Favored Pre-proline 0 C--N 1.322 -0.611 0 O-C-N 120.946 -1.326 . . . . 10.36 108.334 179.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -52.86 137.16 60.78 Favored 'Trans proline' 0 CA--C 1.488 -1.801 0 C-N-CA 123.637 2.891 . . . . 14.91 111.19 -178.561 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.49 -26.27 53.76 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 115.109 1.522 . . . . 14.6 115.109 176.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -61.81 -19.13 62.21 Favored 'General case' 0 CA--C 1.56 1.346 0 O-C-N 119.087 -2.258 . . . . 46.01 112.518 176.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -85.18 2.97 41.4 Favored 'General case' 0 CA--C 1.486 -1.516 0 O-C-N 119.815 -1.803 . . . . 26.35 114.733 179.55 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 56.9 mt -51.16 -49.62 80.33 Favored Pre-proline 0 C--N 1.355 0.82 0 CA-C-N 121.545 1.975 . . . . 14.13 113.121 177.361 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -59.73 -38.18 82.52 Favored 'Trans proline' 0 CA--C 1.501 -1.134 0 CA-C-N 124.655 2.698 . . . . 18.28 115.274 178.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -62.98 -34.6 77.89 Favored 'General case' 0 C--N 1.31 -1.131 0 O-C-N 120.496 -1.377 . . . . 46.12 112.727 176.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.5 mt -72.15 -19.76 61.72 Favored 'General case' 0 CA--C 1.506 -0.747 0 N-CA-C 116.705 2.113 . . . . 15.23 116.705 179.035 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 65.7 t -55.85 129.08 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 O-C-N 121.046 -1.034 . . . . 12.51 108.526 179.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 54.5 p 74.38 -0.49 3.33 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 130.431 3.492 . . . . 22.61 114.267 -179.561 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 66.6 mtp -75.82 163.11 27.56 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 123.007 1.384 . . . . 21.63 108.571 169.481 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -114.18 148.22 37.62 Favored 'General case' 0 CA--C 1.49 -1.358 0 O-C-N 119.807 -1.808 . . . . 27.8 111.341 -176.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.5 m -92.22 146.99 5.63 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.978 0 CA-C-N 114.167 -1.379 . . . . 17.32 108.804 172.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 51.8 p30 -93.06 3.79 55.13 Favored 'General case' 0 C--O 1.204 -1.338 0 C-N-CA 118.636 -1.226 . . . . 24.87 112.007 -179.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -150.48 154.01 36.89 Favored 'General case' 0 C--N 1.306 -1.317 0 C-N-CA 127.118 2.167 . . . . 26.03 108.295 177.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.0 137.73 57.31 Favored 'General case' 0 N--CA 1.447 -0.595 0 O-C-N 119.937 -1.727 . . . . 12.01 108.087 175.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 66.1 t -112.33 109.0 54.31 Favored Pre-proline 0 C--N 1.319 -0.726 0 O-C-N 119.592 -1.942 . . . . 11.29 107.695 -179.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -53.53 151.9 22.76 Favored 'Trans proline' 0 C--O 1.237 0.475 0 C-N-CA 124.529 3.486 . . . . 12.98 112.177 175.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.3 tp -52.26 134.24 33.69 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.818 -0.628 . . . . 15.87 111.06 172.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.24 -1.26 84.39 Favored Glycine 0 C--O 1.252 1.235 0 CA-C-N 116.1 -0.5 . . . . 11.09 114.004 175.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 90.3 m -81.19 140.56 34.87 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 107.762 -1.199 . . . . 11.61 107.762 -177.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 48.3 m -76.8 124.97 28.49 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 116.572 -1.68 . . . . 11.18 108.064 174.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.3 mp -71.56 122.81 21.16 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-O 124.717 2.199 . . . . 18.01 111.755 173.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 19.8 mmt -103.09 152.6 38.6 Favored Pre-proline 0 C--N 1.315 -0.918 0 CA-C-N 113.861 -1.518 . . . . 18.12 110.288 178.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -48.31 -40.47 35.62 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 125.15 3.9 . . . . 11.96 113.632 -177.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.4 p-10 -71.16 -16.7 62.55 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 116.466 2.025 . . . . 18.58 116.466 -174.331 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 58.7 mtt -82.2 -14.92 54.84 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 125.162 1.539 . . . . 15.49 113.488 -178.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.1 t -111.34 122.84 66.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 CA-C-O 123.907 1.813 . . . . 13.14 108.822 -174.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -64.09 125.29 24.02 Favored 'General case' 0 N--CA 1.431 -1.39 0 CA-C-N 111.359 -2.655 . . . . 37.98 109.894 179.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.47 -0.99 87.26 Favored Glycine 0 CA--C 1.533 1.169 0 CA-C-O 118.788 -1.006 . . . . 19.25 111.37 176.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -76.48 132.91 39.87 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 120.372 2.086 . . . . 24.22 111.682 -176.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.44 125.69 16.49 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 102.544 -3.132 . . . . 31.01 102.544 170.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.979 0 CA-C-N 123.629 2.922 . . . . 39.38 106.279 174.538 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.694 0 N-CA-C 114.668 1.359 . . . . 33.75 114.668 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . . . -83.31 40.9 0.74 Allowed 'General case' 0 N--CA 1.488 1.451 1 O-C-N 115.906 -4.246 . . . . 29.55 115.818 -165.755 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' A' ' 210' ' ' HOH . 11.1 tp60 -92.06 127.62 37.6 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-O 123.294 1.521 . . . . 43.55 107.719 -176.87 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.45 142.04 28.1 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 112.686 -2.052 . . . . 18.54 112.758 -176.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 64.7 m -115.61 164.11 14.81 Favored 'General case' 0 C--O 1.254 1.321 0 C-N-CA 124.503 1.121 . . . . 11.37 108.356 -177.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.9 t -76.93 128.51 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 CA-C-N 113.206 -1.815 . . . . 11.4 107.21 173.127 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 52.2 t -124.24 141.34 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 N-CA-C 105.879 -1.897 . . . . 10.39 105.879 -179.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.8 117.04 6.94 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 120.905 -1.122 . . . . 9.79 111.342 179.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -84.89 -12.66 52.97 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 118.774 -2.454 . . . . 18.1 111.258 -177.675 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -152.75 166.59 31.71 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 107.044 -1.465 . . . . 24.82 107.044 173.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.1 tt -64.19 129.4 39.84 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 105.28 -2.119 . . . . 18.97 105.28 174.381 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 90.0 mt -102.05 114.21 65.59 Favored Pre-proline 0 N--CA 1.434 -1.266 0 N-CA-C 105.47 -2.048 . . . . 12.6 105.47 179.158 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -71.12 153.93 62.4 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.153 1.902 . . . . 14.66 112.966 179.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.2 tt -58.73 147.83 7.08 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 CA-C-O 124.137 1.922 . . . . 18.54 111.642 176.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 51.48 41.35 28.38 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-O 125.207 2.432 . . . . 26.07 114.996 174.452 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.3 m -127.58 134.21 49.72 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 104.8 -2.296 . . . . 16.37 104.8 -177.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.79 128.36 35.47 Favored 'General case' 0 CA--C 1.566 1.586 0 CA-C-N 114.45 -1.25 . . . . 13.11 111.71 179.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.0 mt -65.51 137.57 57.5 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-O 122.213 1.006 . . . . 16.05 111.531 179.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 29.8 p -125.85 163.36 23.1 Favored 'General case' 0 C--O 1.256 1.445 0 N-CA-C 106.071 -1.825 . . . . 13.25 106.071 176.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.2 -30.23 70.93 Favored 'General case' 0 C--N 1.348 0.503 0 N-CA-C 115.714 1.746 . . . . 15.4 115.714 -178.932 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.8 m -68.83 -17.69 22.29 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.847 0 CA-C-N 121.638 2.017 . . . . 19.43 112.096 176.208 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 61.1 mtt -81.71 -8.72 59.73 Favored 'General case' 0 CA--C 1.555 1.15 0 N-CA-C 114.989 1.477 . . . . 12.81 114.989 178.596 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 64.0 mtm -128.58 126.25 39.92 Favored 'General case' 0 CA--C 1.504 -0.809 0 O-C-N 120.322 -1.487 . . . . 15.3 114.008 -170.396 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 -121.66 175.39 6.26 Favored 'General case' 0 C--O 1.257 1.459 0 N-CA-C 106.511 -1.663 . . . . 27.43 106.511 174.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.8 t -116.13 132.83 56.55 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 106.428 -1.693 . . . . 16.3 106.428 -176.168 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -150.1 143.78 25.31 Favored 'General case' 0 N--CA 1.434 -1.274 0 C-N-CA 120.408 -0.517 . . . . 25.36 110.593 -179.674 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.0 t -80.03 107.97 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 O-C-N 118.787 -2.446 . . . . 14.16 108.844 170.66 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.3 m -130.94 165.3 31.72 Favored 'Isoleucine or valine' 0 C--O 1.253 1.251 0 O-C-N 121.473 -0.767 . . . . 13.26 110.425 -179.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.6 m -129.89 130.61 23.18 Favored Pre-proline 0 CA--C 1.544 0.741 0 CA-C-O 115.584 -2.15 . . . . 22.77 110.764 178.735 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -64.18 163.88 55.2 Favored 'Cis proline' 0 C--O 1.222 -0.319 0 CA-C-N 122.351 1.875 . . . . 14.99 116.869 -7.083 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 51.8 t -76.82 134.15 29.39 Favored 'Isoleucine or valine' 0 C--O 1.259 1.602 0 N-CA-C 107.73 -1.211 . . . . 20.22 107.73 -177.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.5 -146.51 11.47 Favored Glycine 0 CA--C 1.534 1.243 0 CA-C-O 123.31 1.505 . . . . 10.99 110.162 176.214 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.5 mt -62.14 127.19 89.12 Favored Pre-proline 0 C--N 1.322 -0.611 0 O-C-N 120.946 -1.326 . . . . 10.36 108.334 179.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -52.86 137.16 60.78 Favored 'Trans proline' 0 CA--C 1.488 -1.801 0 C-N-CA 123.637 2.891 . . . . 14.91 111.19 -178.561 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.49 -26.27 53.76 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 115.109 1.522 . . . . 14.6 115.109 176.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -61.81 -19.13 62.21 Favored 'General case' 0 CA--C 1.56 1.346 0 O-C-N 119.087 -2.258 . . . . 46.01 112.518 176.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -85.18 2.97 41.4 Favored 'General case' 0 CA--C 1.486 -1.516 0 O-C-N 119.815 -1.803 . . . . 26.35 114.733 179.55 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 56.9 mt -51.16 -49.62 80.33 Favored Pre-proline 0 C--N 1.355 0.82 0 CA-C-N 121.545 1.975 . . . . 14.13 113.121 177.361 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -59.73 -38.18 82.52 Favored 'Trans proline' 0 CA--C 1.501 -1.134 0 CA-C-N 124.655 2.698 . . . . 18.28 115.274 178.485 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -62.98 -34.6 77.89 Favored 'General case' 0 C--N 1.31 -1.131 0 O-C-N 120.496 -1.377 . . . . 46.12 112.727 176.197 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.5 mt -72.15 -19.76 61.72 Favored 'General case' 0 CA--C 1.506 -0.747 0 N-CA-C 116.705 2.113 . . . . 15.23 116.705 179.035 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 65.7 t -55.85 129.08 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 O-C-N 121.046 -1.034 . . . . 12.51 108.526 179.513 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 54.5 p 74.38 -0.49 3.33 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 130.431 3.492 . . . . 22.61 114.267 -179.561 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 66.6 mtp -75.82 163.11 27.56 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 123.007 1.384 . . . . 21.63 108.571 169.481 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -114.18 148.22 37.62 Favored 'General case' 0 CA--C 1.49 -1.358 0 O-C-N 119.807 -1.808 . . . . 27.8 111.341 -176.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.5 m -92.22 146.99 5.63 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.978 0 CA-C-N 114.167 -1.379 . . . . 17.32 108.804 172.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 51.8 p30 -93.06 3.79 55.13 Favored 'General case' 0 C--O 1.204 -1.338 0 C-N-CA 118.636 -1.226 . . . . 24.87 112.007 -179.276 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -150.48 154.01 36.89 Favored 'General case' 0 C--N 1.306 -1.317 0 C-N-CA 127.118 2.167 . . . . 26.03 108.295 177.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.0 137.73 57.31 Favored 'General case' 0 N--CA 1.447 -0.595 0 O-C-N 119.937 -1.727 . . . . 12.01 108.087 175.929 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 66.1 t -112.33 109.0 54.31 Favored Pre-proline 0 C--N 1.319 -0.726 0 O-C-N 119.592 -1.942 . . . . 11.29 107.695 -179.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -53.53 151.9 22.76 Favored 'Trans proline' 0 C--O 1.237 0.475 0 C-N-CA 124.529 3.486 . . . . 12.98 112.177 175.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.3 tp -52.26 134.24 33.69 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.818 -0.628 . . . . 15.87 111.06 172.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.24 -1.26 84.39 Favored Glycine 0 C--O 1.252 1.235 0 CA-C-N 116.1 -0.5 . . . . 11.09 114.004 175.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 90.3 m -81.19 140.56 34.87 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 107.762 -1.199 . . . . 11.61 107.762 -177.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 48.3 m -76.8 124.97 28.49 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 116.572 -1.68 . . . . 11.18 108.064 174.519 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.3 mp -71.56 122.81 21.16 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-O 124.717 2.199 . . . . 18.01 111.755 173.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 19.8 mmt -103.09 152.6 38.6 Favored Pre-proline 0 C--N 1.315 -0.918 0 CA-C-N 113.861 -1.518 . . . . 18.12 110.288 178.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -48.31 -40.47 35.62 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 125.15 3.9 . . . . 11.96 113.632 -177.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.4 p-10 -71.16 -16.7 62.55 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 116.466 2.025 . . . . 18.58 116.466 -174.331 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 58.7 mtt -82.2 -14.92 54.84 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 125.162 1.539 . . . . 15.49 113.488 -178.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.1 t -111.34 122.84 66.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 CA-C-O 123.907 1.813 . . . . 13.14 108.822 -174.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -64.09 125.29 24.02 Favored 'General case' 0 N--CA 1.431 -1.39 0 CA-C-N 111.359 -2.655 . . . . 37.98 109.894 179.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.47 -0.99 87.26 Favored Glycine 0 CA--C 1.533 1.169 0 CA-C-O 118.788 -1.006 . . . . 19.25 111.37 176.68 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -76.48 132.91 39.87 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 120.372 2.086 . . . . 24.22 111.682 -176.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.44 125.69 16.49 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 102.544 -3.132 . . . . 31.01 102.544 170.302 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.979 0 CA-C-N 123.629 2.922 . . . . 39.38 106.279 174.538 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . 0.42 ' O ' ' HG2' ' A' ' 2' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.694 0 N-CA-C 114.668 1.359 . . . . 33.75 114.668 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . . . -83.31 40.9 0.74 Allowed 'General case' 0 N--CA 1.488 1.451 1 O-C-N 115.906 -4.246 . . . . 29.55 115.818 -165.755 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' A' ' 210' ' ' HOH . 11.1 tp60 -92.06 127.62 37.6 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-O 123.294 1.521 . . . . 43.55 107.719 -176.87 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.45 142.04 28.1 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 112.686 -2.052 . . . . 18.54 112.758 -176.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 64.7 m -115.61 164.11 14.81 Favored 'General case' 0 C--O 1.254 1.321 0 C-N-CA 124.503 1.121 . . . . 11.37 108.356 -177.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.9 t -76.93 128.51 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 CA-C-N 113.206 -1.815 . . . . 11.4 107.21 173.127 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 52.2 t -124.24 141.34 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 N-CA-C 105.879 -1.897 . . . . 10.39 105.879 -179.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.8 117.04 6.94 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 120.905 -1.122 . . . . 9.79 111.342 179.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.441 HD22 ' HD3' ' A' ' 23' ' ' ARG . 10.7 t-20 -84.89 -12.66 52.97 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 118.774 -2.454 . . . . 18.1 111.258 -177.675 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -152.75 166.59 31.71 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 107.044 -1.465 . . . . 24.82 107.044 173.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.1 tt -64.19 129.4 39.84 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 105.28 -2.119 . . . . 18.97 105.28 174.381 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 90.0 mt -102.05 114.21 65.59 Favored Pre-proline 0 N--CA 1.434 -1.266 0 N-CA-C 105.47 -2.048 . . . . 12.6 105.47 179.158 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -71.12 153.93 62.4 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.153 1.902 . . . . 14.66 112.966 179.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.2 tt -58.73 147.83 7.08 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 CA-C-O 124.137 1.922 . . . . 18.54 111.642 176.146 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 51.48 41.35 28.38 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-O 125.207 2.432 . . . . 26.07 114.996 174.452 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.3 m -127.58 134.21 49.72 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 104.8 -2.296 . . . . 16.37 104.8 -177.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.79 128.36 35.47 Favored 'General case' 0 CA--C 1.566 1.586 0 CA-C-N 114.45 -1.25 . . . . 13.11 111.71 179.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.0 mt -65.51 137.57 57.5 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-O 122.213 1.006 . . . . 16.05 111.531 179.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 29.8 p -125.85 163.36 23.1 Favored 'General case' 0 C--O 1.256 1.445 0 N-CA-C 106.071 -1.825 . . . . 13.25 106.071 176.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.2 -30.23 70.93 Favored 'General case' 0 C--N 1.348 0.503 0 N-CA-C 115.714 1.746 . . . . 15.4 115.714 -178.932 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.8 m -68.83 -17.69 22.29 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.847 0 CA-C-N 121.638 2.017 . . . . 19.43 112.096 176.208 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 61.1 mtt -81.71 -8.72 59.73 Favored 'General case' 0 CA--C 1.555 1.15 0 N-CA-C 114.989 1.477 . . . . 12.81 114.989 178.596 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 64.0 mtm -128.58 126.25 39.92 Favored 'General case' 0 CA--C 1.504 -0.809 0 O-C-N 120.322 -1.487 . . . . 15.3 114.008 -170.396 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.441 ' HD3' HD22 ' A' ' 8' ' ' ASN . 13.3 ptt180 -121.66 175.39 6.26 Favored 'General case' 0 C--O 1.257 1.459 0 N-CA-C 106.511 -1.663 . . . . 27.43 106.511 174.805 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.8 t -116.13 132.83 56.55 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 106.428 -1.693 . . . . 16.3 106.428 -176.168 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -150.1 143.78 25.31 Favored 'General case' 0 N--CA 1.434 -1.274 0 C-N-CA 120.408 -0.517 . . . . 25.36 110.593 -179.674 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.0 t -80.03 107.97 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 O-C-N 118.787 -2.446 . . . . 14.16 108.844 170.66 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.3 m -130.94 165.3 31.72 Favored 'Isoleucine or valine' 0 C--O 1.253 1.251 0 O-C-N 121.473 -0.767 . . . . 13.26 110.425 -179.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.6 m -129.89 130.61 23.18 Favored Pre-proline 0 CA--C 1.544 0.741 0 CA-C-O 115.584 -2.15 . . . . 22.77 110.764 178.735 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -64.18 163.88 55.2 Favored 'Cis proline' 0 C--O 1.222 -0.319 0 CA-C-N 122.351 1.875 . . . . 14.99 116.869 -7.083 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 51.8 t -76.82 134.15 29.39 Favored 'Isoleucine or valine' 0 C--O 1.259 1.602 0 N-CA-C 107.73 -1.211 . . . . 20.22 107.73 -177.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.5 -146.51 11.47 Favored Glycine 0 CA--C 1.534 1.243 0 CA-C-O 123.31 1.505 . . . . 10.99 110.162 176.214 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.5 mt -62.14 127.19 89.12 Favored Pre-proline 0 C--N 1.322 -0.611 0 O-C-N 120.946 -1.326 . . . . 10.36 108.334 179.617 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -52.86 137.16 60.78 Favored 'Trans proline' 0 CA--C 1.488 -1.801 0 C-N-CA 123.637 2.891 . . . . 14.91 111.19 -178.561 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.49 -26.27 53.76 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 115.109 1.522 . . . . 14.6 115.109 176.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -61.81 -19.13 62.21 Favored 'General case' 0 CA--C 1.56 1.346 0 O-C-N 119.087 -2.258 . . . . 46.01 112.518 176.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -85.18 2.97 41.4 Favored 'General case' 0 CA--C 1.486 -1.516 0 O-C-N 119.815 -1.803 . . . . 26.35 114.733 179.55 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 56.9 mt -51.16 -49.62 80.33 Favored Pre-proline 0 C--N 1.355 0.82 0 CA-C-N 121.545 1.975 . . . . 14.13 113.121 177.361 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -59.73 -38.18 82.52 Favored 'Trans proline' 0 CA--C 1.501 -1.134 0 CA-C-N 124.655 2.698 . . . . 18.28 115.274 178.485 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -62.98 -34.6 77.89 Favored 'General case' 0 C--N 1.31 -1.131 0 O-C-N 120.496 -1.377 . . . . 46.12 112.727 176.197 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.5 mt -72.15 -19.76 61.72 Favored 'General case' 0 CA--C 1.506 -0.747 0 N-CA-C 116.705 2.113 . . . . 15.23 116.705 179.035 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 65.7 t -55.85 129.08 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 O-C-N 121.046 -1.034 . . . . 12.51 108.526 179.513 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 54.5 p 74.38 -0.49 3.33 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 130.431 3.492 . . . . 22.61 114.267 -179.561 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 66.6 mtp -75.82 163.11 27.56 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 123.007 1.384 . . . . 21.63 108.571 169.481 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -114.18 148.22 37.62 Favored 'General case' 0 CA--C 1.49 -1.358 0 O-C-N 119.807 -1.808 . . . . 27.8 111.341 -176.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.5 m -92.22 146.99 5.63 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.978 0 CA-C-N 114.167 -1.379 . . . . 17.32 108.804 172.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 51.8 p30 -93.06 3.79 55.13 Favored 'General case' 0 C--O 1.204 -1.338 0 C-N-CA 118.636 -1.226 . . . . 24.87 112.007 -179.276 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -150.48 154.01 36.89 Favored 'General case' 0 C--N 1.306 -1.317 0 C-N-CA 127.118 2.167 . . . . 26.03 108.295 177.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.0 137.73 57.31 Favored 'General case' 0 N--CA 1.447 -0.595 0 O-C-N 119.937 -1.727 . . . . 12.01 108.087 175.929 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 66.1 t -112.33 109.0 54.31 Favored Pre-proline 0 C--N 1.319 -0.726 0 O-C-N 119.592 -1.942 . . . . 11.29 107.695 -179.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -53.53 151.9 22.76 Favored 'Trans proline' 0 C--O 1.237 0.475 0 C-N-CA 124.529 3.486 . . . . 12.98 112.177 175.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.3 tp -52.26 134.24 33.69 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.818 -0.628 . . . . 15.87 111.06 172.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.24 -1.26 84.39 Favored Glycine 0 C--O 1.252 1.235 0 CA-C-N 116.1 -0.5 . . . . 11.09 114.004 175.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 90.3 m -81.19 140.56 34.87 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 107.762 -1.199 . . . . 11.61 107.762 -177.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 48.3 m -76.8 124.97 28.49 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 116.572 -1.68 . . . . 11.18 108.064 174.519 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.3 mp -71.56 122.81 21.16 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-O 124.717 2.199 . . . . 18.01 111.755 173.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 19.8 mmt -103.09 152.6 38.6 Favored Pre-proline 0 C--N 1.315 -0.918 0 CA-C-N 113.861 -1.518 . . . . 18.12 110.288 178.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -48.31 -40.47 35.62 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 125.15 3.9 . . . . 11.96 113.632 -177.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.4 p-10 -71.16 -16.7 62.55 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 116.466 2.025 . . . . 18.58 116.466 -174.331 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 58.7 mtt -82.2 -14.92 54.84 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 125.162 1.539 . . . . 15.49 113.488 -178.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.1 t -111.34 122.84 66.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 CA-C-O 123.907 1.813 . . . . 13.14 108.822 -174.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -64.09 125.29 24.02 Favored 'General case' 0 N--CA 1.431 -1.39 0 CA-C-N 111.359 -2.655 . . . . 37.98 109.894 179.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.47 -0.99 87.26 Favored Glycine 0 CA--C 1.533 1.169 0 CA-C-O 118.788 -1.006 . . . . 19.25 111.37 176.68 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -76.48 132.91 39.87 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 120.372 2.086 . . . . 24.22 111.682 -176.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.44 125.69 16.49 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 102.544 -3.132 . . . . 31.01 102.544 170.302 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.979 0 CA-C-N 123.629 2.922 . . . . 39.38 106.279 174.538 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . 0.42 ' O ' ' HG2' ' A' ' 2' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_