data_5zs3_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 5zs3 _Structure_validation_residue.Date_analyzed 2019-01-25 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 ' 18' ' ' VAL . . . . . 0.555 ' N ' ' O ' ' A' ' 302' ' ' HOH . 22.6 t . . . . . 0 C--O 1.254 1.303 0 N-CA-C 109.159 -0.682 . . . . 80.28 109.159 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -125.09 104.3 8.46 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 122.898 0.479 . . . . 51.75 109.875 176.003 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.75 141.67 25.73 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 120.235 -0.983 . . . . 36.45 112.865 -177.25 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.0 p -120.73 170.61 9.28 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.676 0.751 . . . . 42.17 109.671 175.637 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.8 p -56.52 -41.33 76.57 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 119.709 -0.796 . . . . 64.2 111.211 175.782 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.96 -24.45 38.07 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 118.922 -0.561 . . . . 41.77 112.385 -176.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . . . -136.05 75.34 54.42 Favored Pre-proline 0 C--O 1.238 0.449 0 N-CA-C 107.782 -1.192 . . . . 41.77 107.782 174.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -64.7 149.99 88.88 Favored 'Trans proline' 0 CA--C 1.511 -0.659 0 C-N-CA 120.261 0.64 . . . . 37.68 112.134 -177.016 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.68 146.01 48.5 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.301 -1.0 . . . . 36.76 108.301 165.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.9 p -105.78 149.29 9.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 N-CA-C 108.702 -0.851 . . . . 52.97 108.702 -176.064 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' MSE . . . . . . . . . . . . . 0.1 OUTLIER -122.45 143.61 40.04 Favored Pre-proline 0 C--O 1.243 0.742 0 C-N-CA 118.155 -1.418 . . . . 43.45 108.742 178.137 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -71.51 152.23 59.8 Favored 'Trans proline' 0 C--O 1.24 0.586 0 O-C-N 123.374 1.197 . . . . 30.27 110.906 -174.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' MSE . . . . . . . . . . . . . 37.1 ttp -133.15 135.82 45.39 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 114.091 -1.413 . . . . 53.88 111.613 -169.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -110.82 140.86 44.89 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 107.402 -1.332 . . . . 30.26 107.402 160.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -140.03 138.92 35.81 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.128 -1.064 . . . . 26.27 108.128 178.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 26.8 p90 -159.93 157.7 29.44 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 117.378 -1.729 . . . . 33.98 108.777 179.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.6 ttt180 -94.6 129.12 41.57 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.049 -0.978 . . . . 57.62 109.045 175.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -120.72 83.12 2.01 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 106.448 -1.686 . . . . 73.17 106.448 -179.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.54 -108.74 2.23 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.295 -0.478 . . . . 56.89 111.937 -178.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.4 p-10 -96.12 10.22 38.35 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 112.755 0.65 . . . . 92.06 112.755 -175.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . . . -130.16 144.27 51.26 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.019 -0.734 . . . . 37.56 109.019 179.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -103.17 129.96 50.23 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.787 -1.19 . . . . 47.33 107.787 169.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.06 137.03 55.21 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 N-CA-C 108.733 -0.84 . . . . 35.71 108.733 -175.007 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.7 t -128.3 133.66 66.41 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 N-CA-C 106.848 -1.538 . . . . 30.73 106.848 175.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLU . . . . . 0.499 ' OE2' ' NZ ' ' A' ' 112' ' ' LYS . 82.5 mt-10 -124.98 136.92 54.18 Favored 'General case' 0 CA--C 1.52 -0.177 0 O-C-N 123.146 0.278 . . . . 51.51 110.679 175.041 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -118.02 136.21 53.68 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.006 -0.739 . . . . 38.73 109.006 -179.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -78.04 110.59 13.12 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 107.949 -1.13 . . . . 35.67 107.949 166.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.2 mt -136.85 59.21 22.08 Favored Pre-proline 0 N--CA 1.466 0.341 0 N-CA-C 109.451 -0.574 . . . . 35.84 109.451 -178.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -66.17 146.32 81.23 Favored 'Trans proline' 0 CA--C 1.512 -0.614 0 CA-C-O 121.246 0.436 . . . . 32.42 111.82 -172.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.83 29.21 67.59 Favored Glycine 0 N--CA 1.451 -0.31 0 CA-C-N 115.242 -0.89 . . . . 46.36 114.429 166.393 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.5 mm -97.98 133.18 41.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 N-CA-C 107.98 -1.118 . . . . 58.53 107.98 178.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ASP . . . . . 0.608 ' N ' ' O ' ' A' ' 301' ' ' HOH . . . -79.62 134.21 36.44 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.192 -0.67 . . . . 71.43 109.192 170.224 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.64 -25.3 38.37 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 113.052 0.76 . . . . 84.93 113.052 -175.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . . . -60.38 -26.74 66.87 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.366 -0.533 . . . . 75.42 111.142 176.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' SER . . . . . 0.53 ' OG ' ' N ' ' A' ' 67' ' ' GLU . 1.0 OUTLIER -79.68 -40.83 28.14 Favored 'General case' 0 C--O 1.241 0.61 0 N-CA-C 113.398 0.888 . . . . 71.7 113.398 -178.632 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.1 mt -61.41 130.78 47.72 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 120.972 0.415 . . . . 57.42 111.146 -171.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . . . -137.22 132.45 33.86 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.414 -0.958 . . . . 55.6 108.414 174.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 96.3 mt -120.1 115.22 46.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 107.161 -1.422 . . . . 56.51 107.161 176.304 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . . . -106.91 131.07 54.41 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.604 -0.887 . . . . 57.6 108.604 179.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.9 pt -116.09 136.59 52.56 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 N-CA-C 107.766 -1.198 . . . . 52.8 107.766 175.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . . . -149.52 98.81 2.82 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 105.575 -2.009 . . . . 71.02 105.575 -176.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . . . 62.28 -127.01 0.7 Allowed 'General case' 0 C--O 1.241 0.617 0 N-CA-C 104.496 -2.409 . . . . 65.07 104.496 -174.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASN . . . . . 0.596 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 1.9 p-10 -111.77 54.67 0.69 Allowed 'General case' 0 C--O 1.24 0.567 0 C-N-CA 125.354 1.461 . . . . 59.87 114.02 -173.601 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.6 t -128.48 126.77 66.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 108.116 -1.068 . . . . 59.55 108.116 -168.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.6 p -107.38 131.45 57.46 Favored 'Isoleucine or valine' 0 C--O 1.242 0.676 0 N-CA-C 107.857 -1.164 . . . . 54.16 107.857 172.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 54.4 m -118.59 127.13 53.31 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 108.08 -1.082 . . . . 50.96 108.08 178.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 94.1 t -109.18 130.08 62.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 107.095 -1.446 . . . . 40.81 107.095 179.277 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.8 ttt85 -133.15 131.94 41.05 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.384 -0.969 . . . . 64.43 108.384 -178.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -140.87 158.74 43.53 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 108.267 -1.012 . . . . 40.29 108.267 177.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLU . . . . . 0.53 ' N ' ' OG ' ' A' ' 52' ' ' SER . 67.3 tt0 -134.71 138.41 44.36 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 118.949 -1.1 . . . . 76.38 110.934 172.709 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.7 ttp180 -116.31 119.09 36.91 Favored Pre-proline 0 N--CA 1.441 -0.916 0 N-CA-C 107.123 -1.436 . . . . 46.73 107.123 169.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -61.37 148.17 93.63 Favored 'Trans proline' 0 C--N 1.328 -0.505 0 C-N-CA 120.579 0.853 . . . . 48.83 112.097 -173.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.46 154.22 39.15 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.281 -0.872 . . . . 38.21 109.655 173.246 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 47.3 t -69.82 138.68 21.62 Favored 'Isoleucine or valine' 0 C--O 1.243 0.738 0 N-CA-C 108.911 -0.774 . . . . 38.5 108.911 177.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -41.46 116.1 1.48 Allowed Pre-proline 0 C--O 1.236 0.375 0 C-N-CA 123.652 0.781 . . . . 52.16 110.55 170.671 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -55.41 -22.36 33.73 Favored 'Trans proline' 0 CA--C 1.512 -0.616 0 N-CA-C 113.937 0.707 . . . . 48.1 113.937 -178.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 58.4 m-20 -85.62 1.11 50.55 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 118.449 0.568 . . . . 54.49 112.466 -179.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.2 tpp180 -97.74 123.03 41.51 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.54 -0.911 . . . . 44.17 108.54 -178.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -82.76 107.75 15.61 Favored 'General case' 0 C--O 1.241 0.649 0 N-CA-C 108.892 -0.781 . . . . 84.07 108.892 175.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' MSE . . . . . . . . . . . . . 83.4 mmm -85.53 139.27 31.6 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 107.788 -1.19 . . . . 35.02 107.788 176.661 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 46.7 mt -84.87 -28.83 25.73 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.59 -0.694 . . . . 53.25 112.722 167.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -141.1 139.89 34.07 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 106.215 -1.772 . . . . 30.01 106.215 169.27 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 44.3 p -145.29 66.2 1.24 Allowed 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 116.763 -1.975 . . . . 50.14 107.725 178.163 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -87.63 -18.97 28.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.362 -0.836 . . . . 36.76 112.673 -173.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -72.87 135.74 80.43 Favored Pre-proline 0 C--N 1.326 -0.45 0 C-N-CA 119.565 -0.854 . . . . 38.15 109.613 -171.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.92 140.63 50.99 Favored 'Trans proline' 0 C--N 1.33 -0.405 0 C-N-CA 120.096 0.531 . . . . 33.54 111.126 -177.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 84.5 mtt-85 -132.25 167.11 20.4 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 121.58 0.705 . . . . 34.8 110.313 -177.799 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 99.13 -142.03 15.84 Favored Glycine 0 CA--C 1.505 -0.57 0 CA-C-N 114.923 -1.035 . . . . 32.02 111.285 176.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 86.1 t -92.44 126.99 44.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 N-CA-C 109.239 -0.652 . . . . 30.33 109.239 -172.648 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -108.28 142.12 39.05 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.785 -0.821 . . . . 36.11 108.785 170.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.3 t -156.67 138.93 14.7 Favored 'General case' 0 CA--C 1.511 -0.554 0 C-N-CA 119.624 -0.83 . . . . 45.72 109.716 -179.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -147.65 141.27 25.54 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 106.925 -1.509 . . . . 48.13 106.925 171.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -114.51 132.29 56.35 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.977 -0.379 . . . . 54.35 109.977 178.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.0 mt -111.56 128.44 56.03 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 108.915 -0.772 . . . . 53.58 108.915 176.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.2 t -97.07 110.27 24.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 107.207 -1.405 . . . . 49.41 107.207 172.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 83.3 mt -95.36 154.17 17.33 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 123.74 0.816 . . . . 48.11 110.753 -175.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.49 170.11 54.95 Favored Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 110.819 -0.912 . . . . 42.91 110.819 -179.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -67.81 -27.37 66.66 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 120.392 -0.523 . . . . 99.16 112.085 -171.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' ASN . . . . . 0.432 ' O ' ' N ' ' A' ' 118' ' ' ALA . 89.1 m-20 -74.82 0.1 16.6 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 113.324 0.861 . . . . 66.67 113.324 -179.158 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.4 mt -93.77 120.37 33.95 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-N 119.449 1.022 . . . . 54.68 108.399 -178.481 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -77.24 75.02 3.81 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 122.46 1.124 . . . . 69.11 108.471 178.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 67.7 p -58.04 -29.49 65.4 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 115.137 -0.938 . . . . 58.51 111.824 -175.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.79 -28.84 69.74 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 119.983 -0.687 . . . . 42.01 111.241 -178.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ARG . . . . . 0.404 ' NH2' ' CG ' ' A' ' 101' ' ' ARG . 6.8 mtt-85 -98.85 35.14 1.92 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.078 0.77 . . . . 106.46 113.078 -179.276 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.2 tt -70.16 140.82 17.92 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 C-N-CA 119.88 -0.728 . . . . 51.18 109.526 179.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -119.02 135.02 54.83 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 108.142 -1.058 . . . . 39.55 108.142 173.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -131.15 137.59 49.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.695 0.283 . . . . 36.04 110.329 -175.027 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 87.4 p -140.71 154.52 46.38 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 121.344 0.592 . . . . 40.0 109.536 177.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -134.45 112.29 10.81 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.863 -1.162 . . . . 40.03 107.863 -176.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.0 t -151.7 144.99 24.71 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 119.368 -0.933 . . . . 64.28 109.614 179.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 56.2 30.73 17.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.956 -0.565 . . . . 103.32 111.527 179.751 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 74.02 13.47 80.95 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-O 119.258 -0.746 . . . . 32.44 114.449 179.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 57.7 t -114.86 123.14 70.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-N 118.501 1.151 . . . . 34.31 109.104 178.658 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 31.3 tp -90.08 116.18 27.9 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.09 -0.707 . . . . 32.62 109.09 171.527 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' LYS . . . . . 0.499 ' NZ ' ' OE2' ' A' ' 42' ' ' GLU . 6.7 tttp -109.44 127.01 54.08 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 123.545 0.738 . . . . 59.94 110.995 -178.104 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 44.5 mt -111.96 136.34 51.43 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 109.218 -0.66 . . . . 38.9 109.218 175.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -125.52 116.07 21.21 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 108.59 -0.893 . . . . 59.78 108.59 177.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.4 mp -116.14 123.35 31.0 Favored Pre-proline 0 C--O 1.232 0.181 0 N-CA-C 108.538 -0.912 . . . . 42.34 108.538 -178.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -65.88 143.47 73.33 Favored 'Trans proline' 0 CA--C 1.511 -0.658 0 CA-C-N 119.405 0.823 . . . . 40.76 110.532 177.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 53.4 t -96.19 128.5 47.33 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.467 0 N-CA-C 106.877 -1.527 . . . . 42.79 106.877 176.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 96' ' ' ASN . . . -125.72 85.68 2.43 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 106.311 -1.737 . . . . 58.52 106.311 -173.831 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -65.87 137.48 57.22 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 119.735 -0.786 . . . . 92.18 109.864 -175.234 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -68.76 157.36 36.53 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 121.842 0.83 . . . . 64.89 110.696 170.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -76.25 149.1 37.22 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.682 -0.69 . . . . 52.09 110.284 177.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.2 mttm 49.44 57.7 18.0 Favored Pre-proline 0 C--N 1.332 -0.194 0 C-N-CA 124.402 1.081 . . . . 58.91 113.57 173.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.49 150.73 84.06 Favored 'Trans proline' 0 C--O 1.236 0.394 0 CA-C-O 121.96 0.734 . . . . 49.29 112.379 -173.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 41.9 mmm-85 -68.03 137.41 55.03 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 114.775 -1.102 . . . . 56.9 110.549 177.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . . . -124.02 110.79 15.2 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 106.789 -1.56 . . . . 67.46 106.789 172.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 22.9 mm -81.73 124.16 38.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.036 -0.727 . . . . 53.68 109.036 -175.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.3 p -94.61 146.29 24.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.418 0.627 . . . . 55.8 110.04 173.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 26.2 mt -108.37 127.28 64.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 N-CA-C 109.014 -0.735 . . . . 60.9 109.014 -177.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 5.5 m -80.28 139.95 36.42 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 123.452 0.701 . . . . 55.22 112.393 175.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 3.7 mtt-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 109.06 111.213 179.989 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' U' U ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.92 0 N-CA-C 114.213 0.445 . . . . 64.65 114.213 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' U' U ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.35 141.11 31.12 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 117.839 0.819 . . . . 72.19 110.055 -173.399 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' U' U ' 3' ' ' LEU . . . . . . . . . . . . . 3.2 tp -143.82 141.87 30.58 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.099 -0.704 . . . . 44.43 109.099 174.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' U' U ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 tp -87.22 117.99 69.35 Favored Pre-proline 0 N--CA 1.471 0.597 0 CA-C-O 119.136 -0.459 . . . . 58.09 110.488 177.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' U' U ' 5' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo . . . . . 0 C--N 1.352 0.729 0 CA-C-N 119.968 1.024 . . . . 75.67 113.94 168.85 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' ' CL' . . . . . 0.743 'CL ' ' O ' ' A' ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' U' U ' 101' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . 0.608 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . 0.555 ' O ' ' N ' ' A' ' 18' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 324' ' ' HOH . . . . . 0.743 ' O ' 'CL ' ' A' ' 204' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' U' U ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' U' U ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 18' ' ' VAL . . . . . 0.555 ' N ' ' O ' ' A' ' 302' ' ' HOH . 22.6 t . . . . . 0 C--O 1.254 1.303 0 N-CA-C 109.159 -0.682 . . . . 80.28 109.159 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -125.09 104.3 8.46 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 122.898 0.479 . . . . 51.75 109.875 176.003 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.75 141.67 25.73 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 120.235 -0.983 . . . . 36.45 112.865 -177.25 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.0 p -120.73 170.61 9.28 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.676 0.751 . . . . 42.17 109.671 175.637 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.8 p -56.52 -41.33 76.57 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 119.709 -0.796 . . . . 64.2 111.211 175.782 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.96 -24.45 38.07 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 118.922 -0.561 . . . . 41.77 112.385 -176.442 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . . . -136.05 75.34 54.42 Favored Pre-proline 0 C--O 1.238 0.449 0 N-CA-C 107.782 -1.192 . . . . 41.77 107.782 174.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -64.7 149.99 88.88 Favored 'Trans proline' 0 CA--C 1.511 -0.659 0 C-N-CA 120.261 0.64 . . . . 37.68 112.134 -177.016 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.68 146.01 48.5 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.301 -1.0 . . . . 36.76 108.301 165.401 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.9 p -105.78 149.29 9.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 N-CA-C 108.702 -0.851 . . . . 52.97 108.702 -176.064 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' MSE . . . . . . . . . . . . . 0.1 OUTLIER -122.45 143.61 40.04 Favored Pre-proline 0 C--O 1.243 0.742 0 C-N-CA 118.155 -1.418 . . . . 43.45 108.742 178.137 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -71.51 152.23 59.8 Favored 'Trans proline' 0 C--O 1.24 0.586 0 O-C-N 123.374 1.197 . . . . 30.27 110.906 -174.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' MSE . . . . . 0.525 ' HE2' ' NH2' ' A' ' 89' ' ' ARG . 37.1 ttp -133.15 135.82 45.39 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 114.091 -1.413 . . . . 53.88 111.613 -169.074 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -110.82 140.86 44.89 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 107.402 -1.332 . . . . 30.26 107.402 160.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -140.03 138.92 35.81 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.128 -1.064 . . . . 26.27 108.128 178.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 26.8 p90 -159.93 157.7 29.44 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 117.378 -1.729 . . . . 33.98 108.777 179.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.6 ttt180 -94.6 129.12 41.57 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.049 -0.978 . . . . 57.62 109.045 175.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -120.72 83.12 2.01 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 106.448 -1.686 . . . . 73.17 106.448 -179.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.54 -108.74 2.23 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.295 -0.478 . . . . 56.89 111.937 -178.206 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.4 p-10 -96.12 10.22 38.35 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 112.755 0.65 . . . . 92.06 112.755 -175.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . . . -130.16 144.27 51.26 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.019 -0.734 . . . . 37.56 109.019 179.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -103.17 129.96 50.23 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.787 -1.19 . . . . 47.33 107.787 169.557 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.06 137.03 55.21 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 N-CA-C 108.733 -0.84 . . . . 35.71 108.733 -175.007 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.7 t -128.3 133.66 66.41 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 N-CA-C 106.848 -1.538 . . . . 30.73 106.848 175.083 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLU . . . . . 0.499 ' OE2' ' NZ ' ' A' ' 112' ' ' LYS . 82.5 mt-10 -124.98 136.92 54.18 Favored 'General case' 0 CA--C 1.52 -0.177 0 O-C-N 123.146 0.278 . . . . 51.51 110.679 175.041 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -118.02 136.21 53.68 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.006 -0.739 . . . . 38.73 109.006 -179.85 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -78.04 110.59 13.12 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 107.949 -1.13 . . . . 35.67 107.949 166.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.2 mt -136.85 59.21 22.08 Favored Pre-proline 0 N--CA 1.466 0.341 0 N-CA-C 109.451 -0.574 . . . . 35.84 109.451 -178.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -66.17 146.32 81.23 Favored 'Trans proline' 0 CA--C 1.512 -0.614 0 CA-C-O 121.246 0.436 . . . . 32.42 111.82 -172.811 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.83 29.21 67.59 Favored Glycine 0 N--CA 1.451 -0.31 0 CA-C-N 115.242 -0.89 . . . . 46.36 114.429 166.393 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.5 mm -97.98 133.18 41.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 N-CA-C 107.98 -1.118 . . . . 58.53 107.98 178.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . . . -79.62 134.21 36.44 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.192 -0.67 . . . . 71.43 109.192 170.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.64 -25.3 38.37 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 113.052 0.76 . . . . 84.93 113.052 -175.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . . . -60.38 -26.74 66.87 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.366 -0.533 . . . . 75.42 111.142 176.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' SER . . . . . 0.547 ' HG ' ' H ' ' A' ' 67' ' ' GLU . 1.0 OUTLIER -79.68 -40.83 28.14 Favored 'General case' 0 C--O 1.241 0.61 0 N-CA-C 113.398 0.888 . . . . 71.7 113.398 -178.632 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.1 mt -61.41 130.78 47.72 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 120.972 0.415 . . . . 57.42 111.146 -171.188 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . . . -137.22 132.45 33.86 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.414 -0.958 . . . . 55.6 108.414 174.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 96.3 mt -120.1 115.22 46.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 107.161 -1.422 . . . . 56.51 107.161 176.304 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . . . -106.91 131.07 54.41 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.604 -0.887 . . . . 57.6 108.604 179.507 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.9 pt -116.09 136.59 52.56 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 N-CA-C 107.766 -1.198 . . . . 52.8 107.766 175.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . . . -149.52 98.81 2.82 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 105.575 -2.009 . . . . 71.02 105.575 -176.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . . . 62.28 -127.01 0.7 Allowed 'General case' 0 C--O 1.241 0.617 0 N-CA-C 104.496 -2.409 . . . . 65.07 104.496 -174.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASN . . . . . 0.478 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 1.9 p-10 -111.77 54.67 0.69 Allowed 'General case' 0 C--O 1.24 0.567 0 C-N-CA 125.354 1.461 . . . . 59.87 114.02 -173.601 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.6 t -128.48 126.77 66.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 108.116 -1.068 . . . . 59.55 108.116 -168.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' VAL . . . . . 0.466 ' CG1' ' HB2' ' A' ' 91' ' ' LEU . 7.6 p -107.38 131.45 57.46 Favored 'Isoleucine or valine' 0 C--O 1.242 0.676 0 N-CA-C 107.857 -1.164 . . . . 54.16 107.857 172.148 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' THR . . . . . 0.434 ' OG1' ' HG2' ' A' ' 90' ' ' GLN . 54.4 m -118.59 127.13 53.31 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 108.08 -1.082 . . . . 50.96 108.08 178.505 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 94.1 t -109.18 130.08 62.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 107.095 -1.446 . . . . 40.81 107.095 179.277 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.8 ttt85 -133.15 131.94 41.05 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.384 -0.969 . . . . 64.43 108.384 -178.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -140.87 158.74 43.53 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 108.267 -1.012 . . . . 40.29 108.267 177.498 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLU . . . . . 0.547 ' H ' ' HG ' ' A' ' 52' ' ' SER . 67.3 tt0 -134.71 138.41 44.36 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 118.949 -1.1 . . . . 76.38 110.934 172.709 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.7 ttp180 -116.31 119.09 36.91 Favored Pre-proline 0 N--CA 1.441 -0.916 0 N-CA-C 107.123 -1.436 . . . . 46.73 107.123 169.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -61.37 148.17 93.63 Favored 'Trans proline' 0 C--N 1.328 -0.505 0 C-N-CA 120.579 0.853 . . . . 48.83 112.097 -173.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.46 154.22 39.15 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.281 -0.872 . . . . 38.21 109.655 173.246 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 47.3 t -69.82 138.68 21.62 Favored 'Isoleucine or valine' 0 C--O 1.243 0.738 0 N-CA-C 108.911 -0.774 . . . . 38.5 108.911 177.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -41.46 116.1 1.48 Allowed Pre-proline 0 C--O 1.236 0.375 0 C-N-CA 123.652 0.781 . . . . 52.16 110.55 170.671 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -55.41 -22.36 33.73 Favored 'Trans proline' 0 CA--C 1.512 -0.616 0 N-CA-C 113.937 0.707 . . . . 48.1 113.937 -178.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 58.4 m-20 -85.62 1.11 50.55 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 118.449 0.568 . . . . 54.49 112.466 -179.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.2 tpp180 -97.74 123.03 41.51 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.54 -0.911 . . . . 44.17 108.54 -178.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -82.76 107.75 15.61 Favored 'General case' 0 C--O 1.241 0.649 0 N-CA-C 108.892 -0.781 . . . . 84.07 108.892 175.542 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' MSE . . . . . . . . . . . . . 83.4 mmm -85.53 139.27 31.6 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 107.788 -1.19 . . . . 35.02 107.788 176.661 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 46.7 mt -84.87 -28.83 25.73 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.59 -0.694 . . . . 53.25 112.722 167.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -141.1 139.89 34.07 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 106.215 -1.772 . . . . 30.01 106.215 169.27 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 44.3 p -145.29 66.2 1.24 Allowed 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 116.763 -1.975 . . . . 50.14 107.725 178.163 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -87.63 -18.97 28.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.362 -0.836 . . . . 36.76 112.673 -173.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -72.87 135.74 80.43 Favored Pre-proline 0 C--N 1.326 -0.45 0 C-N-CA 119.565 -0.854 . . . . 38.15 109.613 -171.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.92 140.63 50.99 Favored 'Trans proline' 0 C--N 1.33 -0.405 0 C-N-CA 120.096 0.531 . . . . 33.54 111.126 -177.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 84.5 mtt-85 -132.25 167.11 20.4 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 121.58 0.705 . . . . 34.8 110.313 -177.799 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 99.13 -142.03 15.84 Favored Glycine 0 CA--C 1.505 -0.57 0 CA-C-N 114.923 -1.035 . . . . 32.02 111.285 176.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 86.1 t -92.44 126.99 44.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 N-CA-C 109.239 -0.652 . . . . 30.33 109.239 -172.648 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -108.28 142.12 39.05 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.785 -0.821 . . . . 36.11 108.785 170.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.3 t -156.67 138.93 14.7 Favored 'General case' 0 CA--C 1.511 -0.554 0 C-N-CA 119.624 -0.83 . . . . 45.72 109.716 -179.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' ARG . . . . . 0.525 ' NH2' ' HE2' ' A' ' 30' ' ' MSE . 27.8 ttt180 -147.65 141.27 25.54 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 106.925 -1.509 . . . . 48.13 106.925 171.758 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 90' ' ' GLN . . . . . 0.434 ' HG2' ' OG1' ' A' ' 63' ' ' THR . 84.4 mt-30 -114.51 132.29 56.35 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.977 -0.379 . . . . 54.35 109.977 178.997 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 91' ' ' LEU . . . . . 0.466 ' HB2' ' CG1' ' A' ' 62' ' ' VAL . 22.0 mt -111.56 128.44 56.03 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 108.915 -0.772 . . . . 53.58 108.915 176.928 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.2 t -97.07 110.27 24.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 107.207 -1.405 . . . . 49.41 107.207 172.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' LEU . . . . . 0.455 ' HB3' HD12 ' A' ' 97' ' ' LEU . 83.3 mt -95.36 154.17 17.33 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 123.74 0.816 . . . . 48.11 110.753 -175.575 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.49 170.11 54.95 Favored Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 110.819 -0.912 . . . . 42.91 110.819 -179.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -67.81 -27.37 66.66 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 120.392 -0.523 . . . . 99.16 112.085 -171.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -74.82 0.1 16.6 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 113.324 0.861 . . . . 66.67 113.324 -179.158 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' LEU . . . . . 0.455 HD12 ' HB3' ' A' ' 93' ' ' LEU . 6.4 mt -93.77 120.37 33.95 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-N 119.449 1.022 . . . . 54.68 108.399 -178.481 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -77.24 75.02 3.81 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 122.46 1.124 . . . . 69.11 108.471 178.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 67.7 p -58.04 -29.49 65.4 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 115.137 -0.938 . . . . 58.51 111.824 -175.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.79 -28.84 69.74 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 119.983 -0.687 . . . . 42.01 111.241 -178.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ARG . . . . . 0.486 HH21 ' CG ' ' A' ' 101' ' ' ARG . 6.8 mtt-85 -98.85 35.14 1.92 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.078 0.77 . . . . 106.46 113.078 -179.276 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.2 tt -70.16 140.82 17.92 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 C-N-CA 119.88 -0.728 . . . . 51.18 109.526 179.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -119.02 135.02 54.83 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 108.142 -1.058 . . . . 39.55 108.142 173.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -131.15 137.59 49.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.695 0.283 . . . . 36.04 110.329 -175.027 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 87.4 p -140.71 154.52 46.38 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 121.344 0.592 . . . . 40.0 109.536 177.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -134.45 112.29 10.81 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.863 -1.162 . . . . 40.03 107.863 -176.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.0 t -151.7 144.99 24.71 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 119.368 -0.933 . . . . 64.28 109.614 179.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 56.2 30.73 17.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.956 -0.565 . . . . 103.32 111.527 179.751 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 74.02 13.47 80.95 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-O 119.258 -0.746 . . . . 32.44 114.449 179.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 57.7 t -114.86 123.14 70.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-N 118.501 1.151 . . . . 34.31 109.104 178.658 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 31.3 tp -90.08 116.18 27.9 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.09 -0.707 . . . . 32.62 109.09 171.527 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' LYS . . . . . 0.499 ' NZ ' ' OE2' ' A' ' 42' ' ' GLU . 6.7 tttp -109.44 127.01 54.08 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 123.545 0.738 . . . . 59.94 110.995 -178.104 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 44.5 mt -111.96 136.34 51.43 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 109.218 -0.66 . . . . 38.9 109.218 175.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -125.52 116.07 21.21 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 108.59 -0.893 . . . . 59.78 108.59 177.498 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.4 mp -116.14 123.35 31.0 Favored Pre-proline 0 C--O 1.232 0.181 0 N-CA-C 108.538 -0.912 . . . . 42.34 108.538 -178.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -65.88 143.47 73.33 Favored 'Trans proline' 0 CA--C 1.511 -0.658 0 CA-C-N 119.405 0.823 . . . . 40.76 110.532 177.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' VAL . . . . . 0.418 HG22 ' CD2' ' A' ' 97' ' ' LEU . 53.4 t -96.19 128.5 47.33 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.467 0 N-CA-C 106.877 -1.527 . . . . 42.79 106.877 176.842 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -125.72 85.68 2.43 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 106.311 -1.737 . . . . 58.52 106.311 -173.831 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -65.87 137.48 57.22 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 119.735 -0.786 . . . . 92.18 109.864 -175.234 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -68.76 157.36 36.53 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 121.842 0.83 . . . . 64.89 110.696 170.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -76.25 149.1 37.22 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.682 -0.69 . . . . 52.09 110.284 177.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.2 mttm 49.44 57.7 18.0 Favored Pre-proline 0 C--N 1.332 -0.194 0 C-N-CA 124.402 1.081 . . . . 58.91 113.57 173.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.49 150.73 84.06 Favored 'Trans proline' 0 C--O 1.236 0.394 0 CA-C-O 121.96 0.734 . . . . 49.29 112.379 -173.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 41.9 mmm-85 -68.03 137.41 55.03 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 114.775 -1.102 . . . . 56.9 110.549 177.703 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . . . -124.02 110.79 15.2 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 106.789 -1.56 . . . . 67.46 106.789 172.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 22.9 mm -81.73 124.16 38.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.036 -0.727 . . . . 53.68 109.036 -175.113 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.3 p -94.61 146.29 24.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.418 0.627 . . . . 55.8 110.04 173.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 26.2 mt -108.37 127.28 64.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 N-CA-C 109.014 -0.735 . . . . 60.9 109.014 -177.567 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 5.5 m -80.28 139.95 36.42 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 123.452 0.701 . . . . 55.22 112.393 175.644 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 3.7 mtt-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 109.06 111.213 179.989 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' U' U ' 1' ' ' GLY . . . . . 0.428 ' HA2' HD21 ' A' ' 97' ' ' LEU . . . . . . . . 0 C--O 1.217 -0.92 0 N-CA-C 114.213 0.445 . . . . 64.65 114.213 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' U' U ' 2' ' ' ARG . . . . . 0.746 HH12 HD12 ' U' ' 4' ' ' LEU . 0.2 OUTLIER -84.35 141.11 31.12 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 117.839 0.819 . . . . 72.19 110.055 -173.399 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' U' U ' 3' ' ' LEU . . . . . . . . . . . . . 3.2 tp -143.82 141.87 30.58 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.099 -0.704 . . . . 44.43 109.099 174.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' U' U ' 4' ' ' LEU . . . . . 0.746 HD12 HH12 ' U' ' 2' ' ' ARG . 4.4 tp -87.22 117.99 69.35 Favored Pre-proline 0 N--CA 1.471 0.597 0 CA-C-O 119.136 -0.459 . . . . 58.09 110.488 177.485 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' U' U ' 5' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo . . . . . 0 C--N 1.352 0.729 0 CA-C-N 119.968 1.024 . . . . 75.67 113.94 168.85 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' ' CL' . . . . . 0.743 'CL ' ' O ' ' A' ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 205' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' U' U ' 101' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . 0.555 ' O ' ' N ' ' A' ' 18' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 324' ' ' HOH . . . . . 0.743 ' O ' 'CL ' ' A' ' 204' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' U' U ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' U' U ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.555 ' N ' ' O ' ' A' ' 302' ' ' HOH . 22.6 t . . . . . 0 C--O 1.254 1.303 0 N-CA-C 109.159 -0.682 . . . . 80.28 109.159 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -125.09 104.3 8.46 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 122.898 0.479 . . . . 51.75 109.875 176.003 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.75 141.67 25.73 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 120.235 -0.983 . . . . 36.45 112.865 -177.25 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.0 p -120.73 170.61 9.28 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.676 0.751 . . . . 42.17 109.671 175.637 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.8 p -56.52 -41.33 76.57 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 119.709 -0.796 . . . . 64.2 111.211 175.782 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.96 -24.45 38.07 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 118.922 -0.561 . . . . 41.77 112.385 -176.442 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . . . -136.05 75.34 54.42 Favored Pre-proline 0 C--O 1.238 0.449 0 N-CA-C 107.782 -1.192 . . . . 41.77 107.782 174.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -64.7 149.99 88.88 Favored 'Trans proline' 0 CA--C 1.511 -0.659 0 C-N-CA 120.261 0.64 . . . . 37.68 112.134 -177.016 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.68 146.01 48.5 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.301 -1.0 . . . . 36.76 108.301 165.401 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.9 p -105.78 149.29 9.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 N-CA-C 108.702 -0.851 . . . . 52.97 108.702 -176.064 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' MSE . . . . . . . . . . . . . 0.1 OUTLIER -122.45 143.61 40.04 Favored Pre-proline 0 C--O 1.243 0.742 0 C-N-CA 118.155 -1.418 . . . . 43.45 108.742 178.137 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -71.51 152.23 59.8 Favored 'Trans proline' 0 C--O 1.24 0.586 0 O-C-N 123.374 1.197 . . . . 30.27 110.906 -174.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' MSE . . . . . 0.525 ' HE2' ' NH2' ' A' ' 89' ' ' ARG . 37.1 ttp -133.15 135.82 45.39 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 114.091 -1.413 . . . . 53.88 111.613 -169.074 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -110.82 140.86 44.89 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 107.402 -1.332 . . . . 30.26 107.402 160.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -140.03 138.92 35.81 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.128 -1.064 . . . . 26.27 108.128 178.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 26.8 p90 -159.93 157.7 29.44 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 117.378 -1.729 . . . . 33.98 108.777 179.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.6 ttt180 -94.6 129.12 41.57 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.049 -0.978 . . . . 57.62 109.045 175.903 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -120.72 83.12 2.01 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 106.448 -1.686 . . . . 73.17 106.448 -179.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.54 -108.74 2.23 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.295 -0.478 . . . . 56.89 111.937 -178.206 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.4 p-10 -96.12 10.22 38.35 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 112.755 0.65 . . . . 92.06 112.755 -175.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . . . -130.16 144.27 51.26 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.019 -0.734 . . . . 37.56 109.019 179.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -103.17 129.96 50.23 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.787 -1.19 . . . . 47.33 107.787 169.557 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.06 137.03 55.21 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 N-CA-C 108.733 -0.84 . . . . 35.71 108.733 -175.007 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.7 t -128.3 133.66 66.41 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 N-CA-C 106.848 -1.538 . . . . 30.73 106.848 175.083 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.499 ' OE2' ' NZ ' ' A' ' 112' ' ' LYS . 82.5 mt-10 -124.98 136.92 54.18 Favored 'General case' 0 CA--C 1.52 -0.177 0 O-C-N 123.146 0.278 . . . . 51.51 110.679 175.041 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -118.02 136.21 53.68 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.006 -0.739 . . . . 38.73 109.006 -179.85 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -78.04 110.59 13.12 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 107.949 -1.13 . . . . 35.67 107.949 166.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.2 mt -136.85 59.21 22.08 Favored Pre-proline 0 N--CA 1.466 0.341 0 N-CA-C 109.451 -0.574 . . . . 35.84 109.451 -178.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -66.17 146.32 81.23 Favored 'Trans proline' 0 CA--C 1.512 -0.614 0 CA-C-O 121.246 0.436 . . . . 32.42 111.82 -172.811 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.83 29.21 67.59 Favored Glycine 0 N--CA 1.451 -0.31 0 CA-C-N 115.242 -0.89 . . . . 46.36 114.429 166.393 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.5 mm -97.98 133.18 41.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 N-CA-C 107.98 -1.118 . . . . 58.53 107.98 178.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . . . -79.62 134.21 36.44 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.192 -0.67 . . . . 71.43 109.192 170.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.64 -25.3 38.37 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 113.052 0.76 . . . . 84.93 113.052 -175.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . . . -60.38 -26.74 66.87 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.366 -0.533 . . . . 75.42 111.142 176.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' SER . . . . . 0.547 ' HG ' ' H ' ' A' ' 67' ' ' GLU . 1.0 OUTLIER -79.68 -40.83 28.14 Favored 'General case' 0 C--O 1.241 0.61 0 N-CA-C 113.398 0.888 . . . . 71.7 113.398 -178.632 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.1 mt -61.41 130.78 47.72 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 120.972 0.415 . . . . 57.42 111.146 -171.188 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . . . -137.22 132.45 33.86 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.414 -0.958 . . . . 55.6 108.414 174.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 96.3 mt -120.1 115.22 46.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 107.161 -1.422 . . . . 56.51 107.161 176.304 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . . . -106.91 131.07 54.41 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.604 -0.887 . . . . 57.6 108.604 179.507 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.9 pt -116.09 136.59 52.56 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 N-CA-C 107.766 -1.198 . . . . 52.8 107.766 175.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . . . -149.52 98.81 2.82 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 105.575 -2.009 . . . . 71.02 105.575 -176.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . . . 62.28 -127.01 0.7 Allowed 'General case' 0 C--O 1.241 0.617 0 N-CA-C 104.496 -2.409 . . . . 65.07 104.496 -174.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.478 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 1.9 p-10 -111.77 54.67 0.69 Allowed 'General case' 0 C--O 1.24 0.567 0 C-N-CA 125.354 1.461 . . . . 59.87 114.02 -173.601 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.6 t -128.48 126.77 66.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 108.116 -1.068 . . . . 59.55 108.116 -168.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.466 ' CG1' ' HB2' ' A' ' 91' ' ' LEU . 7.6 p -107.38 131.45 57.46 Favored 'Isoleucine or valine' 0 C--O 1.242 0.676 0 N-CA-C 107.857 -1.164 . . . . 54.16 107.857 172.148 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' THR . . . . . 0.434 ' OG1' ' HG2' ' A' ' 90' ' ' GLN . 54.4 m -118.59 127.13 53.31 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 108.08 -1.082 . . . . 50.96 108.08 178.505 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 94.1 t -109.18 130.08 62.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 107.095 -1.446 . . . . 40.81 107.095 179.277 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.8 ttt85 -133.15 131.94 41.05 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.384 -0.969 . . . . 64.43 108.384 -178.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -140.87 158.74 43.53 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 108.267 -1.012 . . . . 40.29 108.267 177.498 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.547 ' H ' ' HG ' ' A' ' 52' ' ' SER . 67.3 tt0 -134.71 138.41 44.36 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 118.949 -1.1 . . . . 76.38 110.934 172.709 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.7 ttp180 -116.31 119.09 36.91 Favored Pre-proline 0 N--CA 1.441 -0.916 0 N-CA-C 107.123 -1.436 . . . . 46.73 107.123 169.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -61.37 148.17 93.63 Favored 'Trans proline' 0 C--N 1.328 -0.505 0 C-N-CA 120.579 0.853 . . . . 48.83 112.097 -173.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.46 154.22 39.15 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.281 -0.872 . . . . 38.21 109.655 173.246 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 47.3 t -69.82 138.68 21.62 Favored 'Isoleucine or valine' 0 C--O 1.243 0.738 0 N-CA-C 108.911 -0.774 . . . . 38.5 108.911 177.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -41.46 116.1 1.48 Allowed Pre-proline 0 C--O 1.236 0.375 0 C-N-CA 123.652 0.781 . . . . 52.16 110.55 170.671 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -55.41 -22.36 33.73 Favored 'Trans proline' 0 CA--C 1.512 -0.616 0 N-CA-C 113.937 0.707 . . . . 48.1 113.937 -178.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 58.4 m-20 -85.62 1.11 50.55 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 118.449 0.568 . . . . 54.49 112.466 -179.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.2 tpp180 -97.74 123.03 41.51 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.54 -0.911 . . . . 44.17 108.54 -178.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -82.76 107.75 15.61 Favored 'General case' 0 C--O 1.241 0.649 0 N-CA-C 108.892 -0.781 . . . . 84.07 108.892 175.542 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' MSE . . . . . . . . . . . . . 83.4 mmm -85.53 139.27 31.6 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 107.788 -1.19 . . . . 35.02 107.788 176.661 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 46.7 mt -84.87 -28.83 25.73 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.59 -0.694 . . . . 53.25 112.722 167.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -141.1 139.89 34.07 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 106.215 -1.772 . . . . 30.01 106.215 169.27 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 44.3 p -145.29 66.2 1.24 Allowed 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 116.763 -1.975 . . . . 50.14 107.725 178.163 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -87.63 -18.97 28.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.362 -0.836 . . . . 36.76 112.673 -173.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -72.87 135.74 80.43 Favored Pre-proline 0 C--N 1.326 -0.45 0 C-N-CA 119.565 -0.854 . . . . 38.15 109.613 -171.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.92 140.63 50.99 Favored 'Trans proline' 0 C--N 1.33 -0.405 0 C-N-CA 120.096 0.531 . . . . 33.54 111.126 -177.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 84.5 mtt-85 -132.25 167.11 20.4 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 121.58 0.705 . . . . 34.8 110.313 -177.799 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 99.13 -142.03 15.84 Favored Glycine 0 CA--C 1.505 -0.57 0 CA-C-N 114.923 -1.035 . . . . 32.02 111.285 176.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 86.1 t -92.44 126.99 44.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 N-CA-C 109.239 -0.652 . . . . 30.33 109.239 -172.648 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -108.28 142.12 39.05 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.785 -0.821 . . . . 36.11 108.785 170.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.3 t -156.67 138.93 14.7 Favored 'General case' 0 CA--C 1.511 -0.554 0 C-N-CA 119.624 -0.83 . . . . 45.72 109.716 -179.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.525 ' NH2' ' HE2' ' A' ' 30' ' ' MSE . 27.8 ttt180 -147.65 141.27 25.54 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 106.925 -1.509 . . . . 48.13 106.925 171.758 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.434 ' HG2' ' OG1' ' A' ' 63' ' ' THR . 84.4 mt-30 -114.51 132.29 56.35 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.977 -0.379 . . . . 54.35 109.977 178.997 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.466 ' HB2' ' CG1' ' A' ' 62' ' ' VAL . 22.0 mt -111.56 128.44 56.03 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 108.915 -0.772 . . . . 53.58 108.915 176.928 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.2 t -97.07 110.27 24.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 107.207 -1.405 . . . . 49.41 107.207 172.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.455 ' HB3' HD12 ' A' ' 97' ' ' LEU . 83.3 mt -95.36 154.17 17.33 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 123.74 0.816 . . . . 48.11 110.753 -175.575 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.49 170.11 54.95 Favored Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 110.819 -0.912 . . . . 42.91 110.819 -179.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -67.81 -27.37 66.66 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 120.392 -0.523 . . . . 99.16 112.085 -171.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -74.82 0.1 16.6 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 113.324 0.861 . . . . 66.67 113.324 -179.158 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.455 HD12 ' HB3' ' A' ' 93' ' ' LEU . 6.4 mt -93.77 120.37 33.95 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-N 119.449 1.022 . . . . 54.68 108.399 -178.481 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -77.24 75.02 3.81 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 122.46 1.124 . . . . 69.11 108.471 178.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 67.7 p -58.04 -29.49 65.4 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 115.137 -0.938 . . . . 58.51 111.824 -175.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.79 -28.84 69.74 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 119.983 -0.687 . . . . 42.01 111.241 -178.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.486 HH21 ' CG ' ' A' ' 101' ' ' ARG . 6.8 mtt-85 -98.85 35.14 1.92 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.078 0.77 . . . . 106.46 113.078 -179.276 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.2 tt -70.16 140.82 17.92 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 C-N-CA 119.88 -0.728 . . . . 51.18 109.526 179.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -119.02 135.02 54.83 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 108.142 -1.058 . . . . 39.55 108.142 173.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -131.15 137.59 49.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.695 0.283 . . . . 36.04 110.329 -175.027 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 87.4 p -140.71 154.52 46.38 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 121.344 0.592 . . . . 40.0 109.536 177.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -134.45 112.29 10.81 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.863 -1.162 . . . . 40.03 107.863 -176.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.0 t -151.7 144.99 24.71 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 119.368 -0.933 . . . . 64.28 109.614 179.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 56.2 30.73 17.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.956 -0.565 . . . . 103.32 111.527 179.751 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 74.02 13.47 80.95 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-O 119.258 -0.746 . . . . 32.44 114.449 179.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 57.7 t -114.86 123.14 70.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-N 118.501 1.151 . . . . 34.31 109.104 178.658 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 31.3 tp -90.08 116.18 27.9 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.09 -0.707 . . . . 32.62 109.09 171.527 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.499 ' NZ ' ' OE2' ' A' ' 42' ' ' GLU . 6.7 tttp -109.44 127.01 54.08 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 123.545 0.738 . . . . 59.94 110.995 -178.104 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 44.5 mt -111.96 136.34 51.43 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 109.218 -0.66 . . . . 38.9 109.218 175.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -125.52 116.07 21.21 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 108.59 -0.893 . . . . 59.78 108.59 177.498 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.4 mp -116.14 123.35 31.0 Favored Pre-proline 0 C--O 1.232 0.181 0 N-CA-C 108.538 -0.912 . . . . 42.34 108.538 -178.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -65.88 143.47 73.33 Favored 'Trans proline' 0 CA--C 1.511 -0.658 0 CA-C-N 119.405 0.823 . . . . 40.76 110.532 177.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.418 HG22 ' CD2' ' A' ' 97' ' ' LEU . 53.4 t -96.19 128.5 47.33 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.467 0 N-CA-C 106.877 -1.527 . . . . 42.79 106.877 176.842 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -125.72 85.68 2.43 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 106.311 -1.737 . . . . 58.52 106.311 -173.831 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -65.87 137.48 57.22 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 119.735 -0.786 . . . . 92.18 109.864 -175.234 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -68.76 157.36 36.53 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 121.842 0.83 . . . . 64.89 110.696 170.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -76.25 149.1 37.22 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.682 -0.69 . . . . 52.09 110.284 177.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.2 mttm 49.44 57.7 18.0 Favored Pre-proline 0 C--N 1.332 -0.194 0 C-N-CA 124.402 1.081 . . . . 58.91 113.57 173.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.49 150.73 84.06 Favored 'Trans proline' 0 C--O 1.236 0.394 0 CA-C-O 121.96 0.734 . . . . 49.29 112.379 -173.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 41.9 mmm-85 -68.03 137.41 55.03 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 114.775 -1.102 . . . . 56.9 110.549 177.703 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . . . -124.02 110.79 15.2 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 106.789 -1.56 . . . . 67.46 106.789 172.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 22.9 mm -81.73 124.16 38.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.036 -0.727 . . . . 53.68 109.036 -175.113 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.3 p -94.61 146.29 24.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.418 0.627 . . . . 55.8 110.04 173.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 26.2 mt -108.37 127.28 64.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 N-CA-C 109.014 -0.735 . . . . 60.9 109.014 -177.567 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 5.5 m -80.28 139.95 36.42 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 123.452 0.701 . . . . 55.22 112.393 175.644 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 3.7 mtt-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 109.06 111.213 179.989 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' U' U ' 1' ' ' GLY . . . . . 0.428 ' HA2' HD21 ' A' ' 97' ' ' LEU . . . . . . . . 0 C--O 1.217 -0.92 0 N-CA-C 114.213 0.445 . . . . 64.65 114.213 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' U' U ' 2' ' ' ARG . . . . . 0.746 HH12 HD12 ' U' ' 4' ' ' LEU . 0.2 OUTLIER -84.35 141.11 31.12 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 117.839 0.819 . . . . 72.19 110.055 -173.399 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' U' U ' 3' ' ' LEU . . . . . . . . . . . . . 3.2 tp -143.82 141.87 30.58 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.099 -0.704 . . . . 44.43 109.099 174.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' U' U ' 4' ' ' LEU . . . . . 0.746 HD12 HH12 ' U' ' 2' ' ' ARG . 4.4 tp -87.22 117.99 69.35 Favored Pre-proline 0 N--CA 1.471 0.597 0 CA-C-O 119.136 -0.459 . . . . 58.09 110.488 177.485 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' U' U ' 5' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo . . . . . 0 C--N 1.352 0.729 0 CA-C-N 119.968 1.024 . . . . 75.67 113.94 168.85 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' ' CL' . . . . . 0.743 'CL ' ' O ' ' A' ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' U' U ' 101' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . 0.555 ' O ' ' N ' ' A' ' 18' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 324' ' ' HOH . . . . . 0.743 ' O ' 'CL ' ' A' ' 204' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' U' U ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' U' U ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_