data_1irw_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1irw _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' -5' ' ' THR . . . . . . . . . . . . . 3.4 t . . . . . 0 N--CA 1.481 1.1 0 N-CA-C 108.044 -1.095 . . . . 48.54 108.044 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -162.33 0.91 0.05 OUTLIER 'General case' 0 C--O 1.257 1.465 0 O-C-N 124.098 0.874 . . . . 48.4 111.722 179.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -3' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -138.62 140.39 38.91 Favored 'General case' 0 C--O 1.262 1.725 0 O-C-N 125.937 2.023 . . . . 44.67 105.955 178.803 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 6.1 mtmm -128.68 154.34 46.39 Favored 'General case' 0 C--O 1.251 1.138 0 O-C-N 125.277 1.611 . . . . 44.25 109.645 -179.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -75.95 132.35 40.18 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 125.901 2.001 . . . . 36.55 113.361 -176.749 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -110.37 -162.5 18.61 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 127.607 2.527 . . . . 29.56 110.629 179.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' SER . . . . . 0.464 ' OG ' ' O2 ' ' A' ' 117' ' ' SO4 . 11.2 t -80.03 128.18 33.17 Favored 'General case' 0 C--O 1.279 2.628 0 C-N-CA 124.044 0.938 . . . . 20.42 109.482 -179.661 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.33 -42.28 45.55 Favored 'General case' 0 N--CA 1.5 2.031 0 C-N-CA 116.066 -2.254 . . . . 18.51 105.879 177.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -51.26 -50.23 59.65 Favored 'General case' 0 C--N 1.287 -2.123 0 O-C-N 120.041 -1.662 . . . . 27.92 109.608 178.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.2 tppt? -62.81 -39.49 94.45 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-N 113.685 -1.598 . . . . 23.2 109.552 -179.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.59 -53.55 44.46 Favored Glycine 0 CA--C 1.538 1.501 0 N-CA-C 106.364 -2.694 . . . . 13.43 106.364 177.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.41 -44.37 45.16 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 113.53 -3.129 . . . . 11.1 110.398 -179.468 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.7 p -77.55 -27.28 51.53 Favored 'General case' 0 C--O 1.254 1.328 1 O-C-N 130.322 4.763 . . . . 13.86 113.72 -178.375 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -47.45 67.17 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 126.206 2.191 . . . . 20.56 105.208 -179.676 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' PHE . . . . . 0.458 ' O ' ' N ' ' A' ' 14' ' ' CYS . 30.7 t80 -52.64 -55.67 20.83 Favored 'General case' 0 N--CA 1.512 2.641 0 CA-C-N 112.948 -1.933 . . . . 11.46 108.699 -176.254 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -55.04 -44.56 74.79 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-O 115.169 -2.348 . . . . 14.09 105.945 -178.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.8 p -76.52 -24.11 53.68 Favored 'General case' 0 N--CA 1.507 2.387 0 CA-C-N 121.534 1.97 . . . . 15.15 115.752 -177.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ARG . . . . . 0.493 ' NH2' ' O ' ' A' ' 84' ' ' GLY . 4.6 mtp180 -121.84 -21.31 6.11 Favored 'General case' 0 N--CA 1.502 2.167 0 N-CA-C 115.42 1.637 . . . . 41.87 115.42 178.813 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 10' ' ' PHE . 3.8 m -113.62 -21.24 10.87 Favored 'General case' 0 CA--C 1.502 -0.872 0 CA-C-N 124.944 3.52 . . . . 8.95 119.354 178.945 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.0 tp -57.03 -42.51 80.57 Favored 'General case' 0 C--N 1.279 -2.493 1 C-N-CA 134.178 4.991 . . . . 7.21 111.811 -176.199 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLN . . . . . 0.5 ' NE2' ' O ' ' A' ' 307' ' ' HOH . 45.8 tt0 -42.57 -40.73 2.77 Favored 'General case' 0 N--CA 1.42 -1.971 1 O-C-N 130.671 4.982 . . . . 20.36 107.359 174.493 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 94.3 m -123.17 -0.86 8.81 Favored 'General case' 0 C--O 1.301 3.774 0 O-C-N 127.473 2.983 . . . . 7.89 118.251 179.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -145.69 152.89 40.34 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 126.444 2.34 . . . . 6.39 112.795 -177.088 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.8 p -111.24 160.11 17.29 Favored 'General case' 0 C--O 1.255 1.367 0 CA-C-N 109.877 -3.329 . . . . 8.39 105.367 173.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.9 m -118.38 -25.63 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.603 0 O-C-N 127.461 2.976 . . . . 13.16 112.804 177.041 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.69 146.76 44.52 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-O 124.823 2.249 . . . . 27.6 114.233 -177.773 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.9 tptt -62.46 110.49 1.69 Allowed 'General case' 0 C--O 1.255 1.388 0 CA-C-N 111.944 -2.389 . . . . 13.29 105.8 176.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 133' ' ' HOH . . . 88.4 19.37 52.68 Favored Glycine 0 N--CA 1.474 1.198 0 C-N-CA 115.866 -3.064 . . . . 13.04 110.31 -178.168 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.33 150.17 23.41 Favored Glycine 1 CA--C 1.594 5.022 1 N-CA-C 100.407 -5.077 . . . . 11.99 100.407 174.882 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -81.13 149.46 17.38 Favored 'Trans proline' 0 C--N 1.293 -2.379 0 C-N-CA 121.251 1.3 . . . . 8.73 113.056 179.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' HIS . . . . . 0.494 ' ND1' ' N ' ' A' ' 31' ' ' ASN . 52.4 m-70 -70.55 147.82 48.87 Favored 'General case' 0 N--CA 1.507 2.42 0 C-N-CA 116.218 -2.193 . . . . 16.48 105.306 170.843 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt -123.84 -119.99 0.28 Allowed 'General case' 0 C--O 1.263 1.788 0 N-CA-C 103.045 -2.946 . . . . 10.82 103.045 175.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.7 t -63.13 -47.83 90.61 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 N-CA-C 104.787 -2.301 . . . . 6.57 104.787 177.274 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.41 165.81 13.67 Favored Glycine 0 CA--C 1.552 2.349 0 CA-C-N 109.577 -3.465 . . . . 6.65 104.77 179.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -72.52 163.71 37.74 Favored 'Trans proline' 0 C--O 1.212 -0.782 1 O-C-N 129.308 4.32 . . . . 5.18 110.949 -178.989 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ASN . . . . . 0.494 ' N ' ' ND1' ' A' ' 26' ' ' HIS 0.287 4.3 t-20 -68.14 142.03 55.87 Favored 'General case' 0 C--O 1.277 2.514 1 O-C-N 129.638 4.336 . . . . 7.0 105.222 175.745 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.5 mt -102.23 3.01 37.82 Favored 'General case' 0 N--CA 1.52 3.038 0 C-N-CA 114.119 -3.032 . . . . 7.24 113.19 -176.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -49.46 124.63 9.69 Favored 'General case' 0 C--O 1.282 2.793 0 C-N-CA 118.903 -1.119 . . . . 13.2 108.745 -178.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.03 13.57 83.22 Favored Glycine 0 CA--C 1.493 -1.327 0 N-CA-C 117.197 1.639 . . . . 6.07 117.197 179.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.3 tp -46.62 -49.1 6.69 Favored 'Isoleucine or valine' 0 C--O 1.262 1.749 0 N-CA-C 118.201 2.667 . . . . 11.1 118.201 -179.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -63.31 129.56 40.77 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-O 114.914 -2.47 . . . . 23.0 107.489 -177.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.87 -33.34 6.64 Favored Glycine 0 N--CA 1.514 3.837 0 N-CA-C 105.778 -2.929 . . . . 25.43 105.778 177.831 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ARG . . . . . 0.512 ' NH1' ' O ' ' A' ' 168' ' ' HOH . 11.0 ttp180 -81.1 156.27 25.87 Favored 'General case' 0 C--O 1.263 1.779 0 O-C-N 128.86 3.329 . . . . 39.25 112.964 179.119 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' HIS . . . . . 0.534 ' CA ' ' O ' ' A' ' 57' ' ' VAL . 41.9 m80 -95.21 158.07 15.62 Favored 'General case' 0 C--O 1.259 1.594 0 CA-C-N 113.679 -1.601 . . . . 23.86 106.783 177.962 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.8 p -62.28 138.6 58.45 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-O 118.131 -0.938 . . . . 20.24 108.664 -178.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLY . . . . . 0.412 ' C ' ' CE2' ' A' ' 48' ' ' TYR . . . 54.72 62.1 6.6 Favored Glycine 0 C--N 1.29 -2.026 0 N-CA-C 121.053 3.181 . . . . 23.25 121.053 176.64 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -135.55 6.74 3.26 Favored 'General case' 0 C--O 1.257 1.48 0 CA-C-O 117.613 -1.184 . . . . 24.5 113.254 -177.011 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.74 126.44 29.73 Favored 'General case' 0 C--O 1.267 2.005 0 N-CA-C 104.217 -2.512 . . . . 21.81 104.217 176.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -77.63 138.94 39.39 Favored 'General case' 0 C--O 1.261 1.706 0 O-C-N 127.296 2.873 . . . . 33.49 114.545 -179.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.0 4.75 61.29 Favored Glycine 0 C--N 1.357 1.748 0 N-CA-C 106.629 -2.588 . . . . 12.87 106.629 177.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -111.93 137.85 49.35 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 118.104 -1.438 . . . . 11.2 107.778 177.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.7 t -89.85 86.3 6.61 Favored 'General case' 0 C--N 1.299 -1.62 1 O-C-N 129.291 4.119 . . . . 14.26 113.729 176.186 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' TYR . . . . . 0.412 ' CE2' ' C ' ' A' ' 41' ' ' GLY . 98.9 m-85 -81.99 147.18 29.34 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 118.729 -2.482 . . . . 24.4 113.653 179.264 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.7 p -59.03 169.33 1.07 Allowed 'General case' 0 C--O 1.273 2.315 0 N-CA-C 106.785 -1.561 . . . . 12.11 106.785 173.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -70.87 -40.38 72.33 Favored 'General case' 0 C--O 1.2 -1.534 0 N-CA-C 105.282 -2.118 . . . . 20.12 105.282 -178.047 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -41.99 -50.78 4.57 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 126.912 2.633 . . . . 19.2 116.925 177.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.21 -55.32 22.47 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 124.192 1.949 . . . . 22.53 113.136 -179.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -53.47 -45.59 58.23 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.408 0 CA-C-N 113.4 -1.727 . . . . 29.5 112.368 -179.293 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.42 -36.4 83.81 Favored 'General case' 0 C--N 1.295 -1.784 0 C-N-CA 128.623 2.769 . . . . 37.96 110.852 -178.866 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -63.45 -54.79 30.92 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.793 1.933 . . . . 34.71 106.165 179.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 57.9 65.62 1.28 Allowed 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 117.233 -1.787 . . . . 35.26 110.745 178.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' VAL . . . . . 0.534 ' O ' ' CA ' ' A' ' 39' ' ' HIS . 0.7 OUTLIER -91.4 142.47 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.728 0 C-N-CA 127.963 2.505 . . . . 35.03 107.67 -179.927 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -98.25 107.43 19.9 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 128.435 3.584 . . . . 34.82 101.591 176.44 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . 0.3 74.4 m95 -75.93 103.72 6.14 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 113.524 -1.671 . . . . 27.35 108.707 -176.748 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASP . . . . . 0.639 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 0.2 OUTLIER -125.53 167.71 14.66 Favored 'General case' 0 C--O 1.264 1.824 2 CA-C-N 107.1 -4.591 . . . . 29.48 101.72 177.224 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -34.87 78.69 Favored 'General case' 0 C--O 1.255 1.369 1 O-C-N 131.221 5.326 . . . . 36.41 114.478 -176.006 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ASN . . . . . 0.639 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 48.3 m-20 -68.27 -49.41 60.75 Favored 'General case' 0 C--N 1.274 -2.716 0 C-N-CA 128.253 2.621 . . . . 36.46 113.001 -178.714 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ASN . . . . . 0.558 ' OD1' ' OH ' ' A' ' 74' ' ' TYR . 0.8 OUTLIER -62.64 -44.44 96.26 Favored 'General case' 0 C--N 1.297 -1.688 2 CA-C-O 131.901 5.62 . . . . 29.86 112.035 178.621 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 49.3 tpp -57.4 -40.26 77.89 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 110.003 -3.271 . . . . 17.93 110.094 177.335 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.2 t -71.18 -41.64 70.07 Favored 'General case' 0 C--O 1.274 2.378 0 C-N-CA 125.572 1.549 . . . . 17.88 109.333 179.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.18 -44.15 76.56 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 126.723 3.154 . . . . 40.09 108.685 178.152 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -57.59 -46.71 83.68 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 118.209 -2.807 . . . . 22.95 108.518 178.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.327 39.5 mt -60.28 -29.43 68.81 Favored 'General case' 0 C--O 1.258 1.537 0 N-CA-C 116.577 2.066 . . . . 19.04 116.577 -179.967 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.05 -36.17 79.44 Favored 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 119.157 -1.017 . . . . 21.21 109.85 176.839 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -167.73 88.66 0.71 Allowed Pre-proline 0 N--CA 1.442 -0.844 0 CA-C-O 123.765 1.745 . . . . 19.97 114.673 -174.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -47.72 -64.9 0.2 Allowed 'Trans proline' 0 C--O 1.254 1.307 0 N-CA-C 118.677 2.53 . . . . 15.12 118.677 -179.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.754 0 CA-C-N 113.705 -1.588 . . . . 24.48 109.705 -177.637 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.2 tptt -64.77 -52.29 57.75 Favored 'General case' 0 C--N 1.284 -2.268 0 C-N-CA 126.05 1.74 . . . . 27.0 107.201 -179.173 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' TYR . . . . . 0.558 ' OH ' ' OD1' ' A' ' 63' ' ' ASN . 33.8 t80 -65.11 -41.02 95.31 Favored 'General case' 0 N--CA 1.425 -1.679 0 O-C-N 128.092 3.37 . . . . 29.23 117.282 179.674 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.254 3.5 mt -139.52 79.05 25.57 Favored Pre-proline 0 CA--C 1.553 1.064 0 CA-C-O 127.679 3.609 . . . . 20.73 108.671 178.815 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -58.47 133.09 52.35 Favored 'Trans proline' 0 C--O 1.256 1.419 0 CA-C-N 110.609 -2.318 . . . . 18.78 106.194 -179.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.76 -10.4 58.94 Favored Glycine 0 C--O 1.264 1.971 0 CA-C-O 124.581 2.212 . . . . 14.58 112.019 177.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.3 t -57.35 141.7 46.14 Favored 'General case' 0 C--O 1.267 1.992 0 CA-C-N 110.834 -2.683 . . . . 12.38 113.667 -179.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -89.04 11.37 18.54 Favored 'General case' 0 C--O 1.266 1.946 0 CA-C-O 115.577 -2.154 . . . . 12.51 111.741 -178.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.0 ttp -73.02 113.41 10.03 Favored 'General case' 0 CA--C 1.557 1.228 1 CA-C-O 110.868 -4.396 . . . . 11.99 107.157 178.564 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -98.07 69.52 2.04 Favored 'General case' 0 C--O 1.269 2.094 1 O-C-N 133.367 6.667 . . . . 18.85 114.134 -179.336 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -128.0 127.7 43.69 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 125.993 1.717 . . . . 18.83 110.373 -178.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.44 -56.68 20.29 Favored Glycine 0 N--CA 1.476 1.316 0 O-C-N 119.515 -1.991 . . . . 23.77 111.11 -178.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' GLY . . . . . 0.493 ' O ' ' NH2' ' A' ' 13' ' ' ARG . . . 151.32 -170.68 30.94 Favored Glycine 0 C--O 1.262 1.847 0 N-CA-C 108.883 -1.687 . . . . 21.66 108.883 179.813 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.6 mt -129.29 99.44 5.22 Favored 'General case' 0 C--O 1.261 1.698 0 N-CA-C 104.686 -2.338 . . . . 20.39 104.686 176.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LYS . . . . . 0.44 ' NZ ' ' O ' ' A' ' 183' ' ' HOH . 0.0 OUTLIER -68.56 -29.36 67.9 Favored 'General case' 0 C--O 1.263 1.788 0 C-N-CA 116.851 -1.94 . . . . 21.8 110.946 -177.422 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.3 mttp -86.83 119.66 27.29 Favored 'General case' 0 CA--C 1.482 -1.662 0 CA-C-O 128.218 3.866 . . . . 28.32 113.525 -176.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -57.02 -35.12 68.88 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-N 110.288 -3.142 . . . . 24.34 107.532 176.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . 0.294 0.0 OUTLIER -66.57 -36.26 82.22 Favored 'General case' 0 C--O 1.27 2.172 0 CA-C-O 113.219 -3.277 . . . . 18.3 108.784 179.57 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -76.39 -37.95 56.42 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 126.68 2.487 . . . . 21.05 109.191 178.648 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -61.67 -42.5 99.0 Favored 'General case' 0 C--O 1.284 2.907 0 O-C-N 127.969 3.293 . . . . 28.07 110.224 -178.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ASN . . . . . 0.411 ' O ' ' OG1' ' A' ' 96' ' ' THR 0.301 90.0 m-20 -58.67 -44.04 90.07 Favored 'General case' 0 C--O 1.25 1.114 0 O-C-N 125.568 1.792 . . . . 14.26 112.015 -176.666 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -58.49 -46.07 87.43 Favored 'General case' 0 CA--C 1.562 1.411 1 O-C-N 129.725 4.391 . . . . 10.59 111.385 177.383 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 52.3 tp -62.79 -50.97 68.92 Favored 'General case' 0 C--O 1.279 2.629 0 CA-C-O 114.932 -2.461 . . . . 7.46 115.886 -176.017 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 99' ' ' LYS . 1.8 mt -57.17 -30.53 35.02 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 1 O-C-N 131.494 5.497 . . . . 10.8 110.53 -179.769 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 92' ' ' ASN . 3.1 m -64.34 -56.92 11.14 Favored 'General case' 0 C--O 1.249 1.028 0 O-C-N 118.665 -2.522 . . . . 13.0 105.029 -179.066 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' TYR . . . . . 0.411 ' O ' ' N ' ' A' ' 101' ' ' ALA . 83.2 t80 -54.92 -47.48 74.35 Favored 'General case' 0 C--O 1.266 1.93 1 O-C-N 129.134 4.021 . . . . 15.21 109.821 178.008 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 79.3 mt -59.77 -54.69 43.31 Favored 'General case' 0 C--O 1.261 1.677 0 CA-C-N 112.308 -2.224 . . . . 17.79 112.691 -178.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 95' ' ' ILE . 0.4 OUTLIER -43.82 -47.26 8.11 Favored 'General case' 0 C--O 1.249 1.041 0 CA-C-O 128.091 3.805 . . . . 34.01 108.792 177.495 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -70.64 -54.32 12.39 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 111.671 -2.513 . . . . 26.03 114.146 179.352 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 97' ' ' TYR 0.255 . . -81.35 -14.65 57.03 Favored 'General case' 0 N--CA 1.482 1.151 1 CA-C-O 110.648 -4.501 . . . . 13.04 119.968 -171.674 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 51.6 p -101.7 15.19 29.7 Favored 'General case' 0 C--N 1.292 -1.927 0 O-C-N 128.253 3.471 . . . . 19.24 111.593 178.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 . . . . . 0 C--O 1.256 1.447 0 CA-C-N 111.939 -2.391 . . . . 29.89 106.012 -179.608 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' SO4 . . . . . 0.464 ' O2 ' ' OG ' ' A' ' 2' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . 0.466 ' O ' ' N ' ' A' ' 38' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' HOH . . . . . 0.485 ' O ' ' N ' ' A' ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 168' ' ' HOH . . . . . 0.512 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 181' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 182' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 183' ' ' HOH . . . . . 0.44 ' O ' ' NZ ' ' A' ' 86' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 195' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 197' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 300' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 . . . . . 0.5 ' O ' ' NE2' ' A' ' 16' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 build full ' A' A ' -5' ' ' THR . . . . . 0.586 ' O ' ' HG2' ' A' ' -4' ' ' GLU . 3.4 t . . . . . 0 N--CA 1.481 1.1 0 N-CA-C 108.044 -1.095 . . . . 48.54 108.044 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -4' ' ' GLU . . . . . 0.586 ' HG2' ' O ' ' A' ' -5' ' ' THR . 5.4 mt-10 -162.33 0.91 0.05 OUTLIER 'General case' 0 C--O 1.257 1.465 0 O-C-N 124.098 0.874 . . . . 48.4 111.722 179.373 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' -3' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -138.62 140.39 38.91 Favored 'General case' 0 C--O 1.262 1.725 0 O-C-N 125.937 2.023 . . . . 44.67 105.955 178.803 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 6.1 mtmm -128.68 154.34 46.39 Favored 'General case' 0 C--O 1.251 1.138 0 O-C-N 125.277 1.611 . . . . 44.25 109.645 -179.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -75.95 132.35 40.18 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 125.901 2.001 . . . . 36.55 113.361 -176.749 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -110.37 -162.5 18.61 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 127.607 2.527 . . . . 29.56 110.629 179.814 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' SER . . . . . 0.572 ' HB3' ' HB3' ' A' ' 5' ' ' LYS . 11.2 t -80.03 128.18 33.17 Favored 'General case' 0 C--O 1.279 2.628 0 C-N-CA 124.044 0.938 . . . . 20.42 109.482 -179.661 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.33 -42.28 45.55 Favored 'General case' 0 N--CA 1.5 2.031 0 C-N-CA 116.066 -2.254 . . . . 18.51 105.879 177.699 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LYS . . . . . 0.517 ' HE2' ' O1 ' ' A' ' 117' ' ' SO4 . 14.6 mttm -51.26 -50.23 59.65 Favored 'General case' 0 C--N 1.287 -2.123 0 O-C-N 120.041 -1.662 . . . . 27.92 109.608 178.565 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LYS . . . . . 0.715 ' HG2' ' OD2' ' A' ' 93' ' ' ASP . 8.2 tppt? -62.81 -39.49 94.45 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-N 113.685 -1.598 . . . . 23.2 109.552 -179.569 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLY . . . . . 0.498 ' HA3' ' HB2' ' A' ' 97' ' ' TYR . . . -60.59 -53.55 44.46 Favored Glycine 0 CA--C 1.538 1.501 0 N-CA-C 106.364 -2.694 . . . . 13.43 106.364 177.844 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.41 -44.37 45.16 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 113.53 -3.129 . . . . 11.1 110.398 -179.468 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' THR . . . . . 0.457 ' O ' HG23 ' A' ' 12' ' ' THR . 71.7 p -77.55 -27.28 51.53 Favored 'General case' 0 C--O 1.254 1.328 1 O-C-N 130.322 4.763 . . . . 13.86 113.72 -178.375 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . 0.766 HD21 ' HB3' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -68.44 -47.45 67.17 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 126.206 2.191 . . . . 20.56 105.208 -179.676 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 10' ' ' PHE . . . . . 0.573 ' CD2' ' HB2' ' A' ' 14' ' ' CYS . 30.7 t80 -52.64 -55.67 20.83 Favored 'General case' 0 N--CA 1.512 2.641 0 CA-C-N 112.948 -1.933 . . . . 11.46 108.699 -176.254 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' HA ' ' HB2' ' A' ' 15' ' ' LEU . 7.7 mttt -55.04 -44.56 74.79 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-O 115.169 -2.348 . . . . 14.09 105.945 -178.178 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 8' ' ' THR . 12.8 p -76.52 -24.11 53.68 Favored 'General case' 0 N--CA 1.507 2.387 0 CA-C-N 121.534 1.97 . . . . 15.15 115.752 -177.643 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ARG . . . . . 0.493 ' NH2' ' O ' ' A' ' 84' ' ' GLY . 4.6 mtp180 -121.84 -21.31 6.11 Favored 'General case' 0 N--CA 1.502 2.167 0 N-CA-C 115.42 1.637 . . . . 41.87 115.42 178.813 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' CYS . . . . . 0.573 ' HB2' ' CD2' ' A' ' 10' ' ' PHE . 3.8 m -113.62 -21.24 10.87 Favored 'General case' 0 CA--C 1.502 -0.872 0 CA-C-N 124.944 3.52 . . . . 8.95 119.354 178.945 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LEU . . . . . 0.424 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 22.0 tp -57.03 -42.51 80.57 Favored 'General case' 0 C--N 1.279 -2.493 1 C-N-CA 134.178 4.991 . . . . 7.21 111.811 -176.199 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -42.57 -40.73 2.77 Favored 'General case' 0 N--CA 1.42 -1.971 1 O-C-N 130.671 4.982 . . . . 20.36 107.359 174.493 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 94.3 m -123.17 -0.86 8.81 Favored 'General case' 0 C--O 1.301 3.774 0 O-C-N 127.473 2.983 . . . . 7.89 118.251 179.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -145.69 152.89 40.34 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 126.444 2.34 . . . . 6.39 112.795 -177.088 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' THR . . . . . 0.683 ' HB ' ' OE1' ' A' ' 21' ' ' GLU . 37.8 p -111.24 160.11 17.29 Favored 'General case' 0 C--O 1.255 1.367 0 CA-C-N 109.877 -3.329 . . . . 8.39 105.367 173.999 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' VAL . . . . . 0.464 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 22.9 m -118.38 -25.63 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.603 0 O-C-N 127.461 2.976 . . . . 13.16 112.804 177.041 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLU . . . . . 0.683 ' OE1' ' HB ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -60.69 146.76 44.52 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-O 124.823 2.249 . . . . 27.6 114.233 -177.773 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.9 tptt -62.46 110.49 1.69 Allowed 'General case' 0 C--O 1.255 1.388 0 CA-C-N 111.944 -2.389 . . . . 13.29 105.8 176.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 133' ' ' HOH . . . 88.4 19.37 52.68 Favored Glycine 0 N--CA 1.474 1.198 0 C-N-CA 115.866 -3.064 . . . . 13.04 110.31 -178.168 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.33 150.17 23.41 Favored Glycine 1 CA--C 1.594 5.022 1 N-CA-C 100.407 -5.077 . . . . 11.99 100.407 174.882 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' PRO . . . . . 0.438 ' HD2' HG21 ' A' ' 19' ' ' THR . 6.2 Cg_exo -81.13 149.46 17.38 Favored 'Trans proline' 0 C--N 1.293 -2.379 0 C-N-CA 121.251 1.3 . . . . 8.73 113.056 179.985 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -70.55 147.82 48.87 Favored 'General case' 0 N--CA 1.507 2.42 0 C-N-CA 116.218 -2.193 . . . . 16.48 105.306 170.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt -123.84 -119.99 0.28 Allowed 'General case' 0 C--O 1.263 1.788 0 N-CA-C 103.045 -2.946 . . . . 10.82 103.045 175.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.7 t -63.13 -47.83 90.61 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 N-CA-C 104.787 -2.301 . . . . 6.57 104.787 177.274 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.41 165.81 13.67 Favored Glycine 0 CA--C 1.552 2.349 0 CA-C-N 109.577 -3.465 . . . . 6.65 104.77 179.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -72.52 163.71 37.74 Favored 'Trans proline' 0 C--O 1.212 -0.782 1 O-C-N 129.308 4.32 . . . . 5.18 110.949 -178.989 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . 0.287 4.3 t-20 -68.14 142.03 55.87 Favored 'General case' 0 C--O 1.277 2.514 1 O-C-N 129.638 4.336 . . . . 7.0 105.222 175.745 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.5 mt -102.23 3.01 37.82 Favored 'General case' 0 N--CA 1.52 3.038 0 C-N-CA 114.119 -3.032 . . . . 7.24 113.19 -176.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -49.46 124.63 9.69 Favored 'General case' 0 C--O 1.282 2.793 0 C-N-CA 118.903 -1.119 . . . . 13.2 108.745 -178.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.03 13.57 83.22 Favored Glycine 0 CA--C 1.493 -1.327 0 N-CA-C 117.197 1.639 . . . . 6.07 117.197 179.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ILE . . . . . 0.421 HD11 ' CD1' ' A' ' 59' ' ' TRP . 10.3 tp -46.62 -49.1 6.69 Favored 'Isoleucine or valine' 0 C--O 1.262 1.749 0 N-CA-C 118.201 2.667 . . . . 11.1 118.201 -179.074 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' PHE . . . . . 0.495 ' HA ' ' O ' ' A' ' 59' ' ' TRP . 68.1 m-85 -63.31 129.56 40.77 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-O 114.914 -2.47 . . . . 23.0 107.489 -177.696 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.87 -33.34 6.64 Favored Glycine 0 N--CA 1.514 3.837 0 N-CA-C 105.778 -2.929 . . . . 25.43 105.778 177.831 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ARG . . . . . 0.512 ' NH1' ' O ' ' A' ' 168' ' ' HOH . 11.0 ttp180 -81.1 156.27 25.87 Favored 'General case' 0 C--O 1.263 1.779 0 O-C-N 128.86 3.329 . . . . 39.25 112.964 179.119 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' HIS . . . . . 0.819 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 41.9 m80 -95.21 158.07 15.62 Favored 'General case' 0 C--O 1.259 1.594 0 CA-C-N 113.679 -1.601 . . . . 23.86 106.783 177.962 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' SER . . . . . 0.637 ' HB3' HG23 ' A' ' 57' ' ' VAL . 25.8 p -62.28 138.6 58.45 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-O 118.131 -0.938 . . . . 20.24 108.664 -178.848 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLY . . . . . 0.782 ' HA2' ' CZ ' ' A' ' 48' ' ' TYR . . . 54.72 62.1 6.6 Favored Glycine 0 C--N 1.29 -2.026 0 N-CA-C 121.053 3.181 . . . . 23.25 121.053 176.64 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -135.55 6.74 3.26 Favored 'General case' 0 C--O 1.257 1.48 0 CA-C-O 117.613 -1.184 . . . . 24.5 113.254 -177.011 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.74 126.44 29.73 Favored 'General case' 0 C--O 1.267 2.005 0 N-CA-C 104.217 -2.512 . . . . 21.81 104.217 176.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 305' ' ' HOH . 4.8 pt-20 -77.63 138.94 39.39 Favored 'General case' 0 C--O 1.261 1.706 0 O-C-N 127.296 2.873 . . . . 33.49 114.545 -179.863 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.0 4.75 61.29 Favored Glycine 0 C--N 1.357 1.748 0 N-CA-C 106.629 -2.588 . . . . 12.87 106.629 177.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -111.93 137.85 49.35 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 118.104 -1.438 . . . . 11.2 107.778 177.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.7 t -89.85 86.3 6.61 Favored 'General case' 0 C--N 1.299 -1.62 1 O-C-N 129.291 4.119 . . . . 14.26 113.729 176.186 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' TYR . . . . . 0.782 ' CZ ' ' HA2' ' A' ' 41' ' ' GLY . 98.9 m-85 -81.99 147.18 29.34 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 118.729 -2.482 . . . . 24.4 113.653 179.264 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.7 p -59.03 169.33 1.07 Allowed 'General case' 0 C--O 1.273 2.315 0 N-CA-C 106.785 -1.561 . . . . 12.11 106.785 173.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -70.87 -40.38 72.33 Favored 'General case' 0 C--O 1.2 -1.534 0 N-CA-C 105.282 -2.118 . . . . 20.12 105.282 -178.047 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -41.99 -50.78 4.57 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 126.912 2.633 . . . . 19.2 116.925 177.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ALA . . . . . 0.556 ' HB1' ' O ' ' A' ' 300' ' ' HOH . . . -64.21 -55.32 22.47 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 124.192 1.949 . . . . 22.53 113.136 -179.951 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -53.47 -45.59 58.23 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.408 0 CA-C-N 113.4 -1.727 . . . . 29.5 112.368 -179.293 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.42 -36.4 83.81 Favored 'General case' 0 C--N 1.295 -1.784 0 C-N-CA 128.623 2.769 . . . . 37.96 110.852 -178.866 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LYS . . . . . 0.922 ' HG2' HG22 ' A' ' 57' ' ' VAL . 27.7 tptt -63.45 -54.79 30.92 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.793 1.933 . . . . 34.71 106.165 179.899 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 58.5 t30 57.9 65.62 1.28 Allowed 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 117.233 -1.787 . . . . 35.26 110.745 178.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' VAL . . . . . 0.922 HG22 ' HG2' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -91.4 142.47 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.728 0 C-N-CA 127.963 2.505 . . . . 35.03 107.67 -179.927 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LEU . . . . . 0.578 HD23 ' NE2' ' A' ' 39' ' ' HIS . 0.7 OUTLIER -98.25 107.43 19.9 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 128.435 3.584 . . . . 34.82 101.591 176.44 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 59' ' ' TRP . . . . . 0.534 ' HE1' ' HA ' ' A' ' 40' ' ' SER 0.3 74.4 m95 -75.93 103.72 6.14 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 113.524 -1.671 . . . . 27.35 108.707 -176.748 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASP . . . . . 0.639 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 0.2 OUTLIER -125.53 167.71 14.66 Favored 'General case' 0 C--O 1.264 1.824 2 CA-C-N 107.1 -4.591 . . . . 29.48 101.72 177.224 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -34.87 78.69 Favored 'General case' 0 C--O 1.255 1.369 1 O-C-N 131.221 5.326 . . . . 36.41 114.478 -176.006 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ASN . . . . . 0.639 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 48.3 m-20 -68.27 -49.41 60.75 Favored 'General case' 0 C--N 1.274 -2.716 0 C-N-CA 128.253 2.621 . . . . 36.46 113.001 -178.714 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ASN . . . . . 0.46 ' OD1' ' OH ' ' A' ' 74' ' ' TYR . 0.8 OUTLIER -62.64 -44.44 96.26 Favored 'General case' 0 C--N 1.297 -1.688 2 CA-C-O 131.901 5.62 . . . . 29.86 112.035 178.621 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 64' ' ' MET . . . . . 0.412 ' HG3' HD13 ' A' ' 95' ' ' ILE . 49.3 tpp -57.4 -40.26 77.89 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 110.003 -3.271 . . . . 17.93 110.094 177.335 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.2 t -71.18 -41.64 70.07 Favored 'General case' 0 C--O 1.274 2.378 0 C-N-CA 125.572 1.549 . . . . 17.88 109.333 179.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.18 -44.15 76.56 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 126.723 3.154 . . . . 40.09 108.685 178.152 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -57.59 -46.71 83.68 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 118.209 -2.807 . . . . 22.95 108.518 178.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LEU . . . . . 0.443 ' HA ' HD23 ' A' ' 68' ' ' LEU 0.327 39.5 mt -60.28 -29.43 68.81 Favored 'General case' 0 C--O 1.258 1.537 0 N-CA-C 116.577 2.066 . . . . 19.04 116.577 -179.967 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.05 -36.17 79.44 Favored 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 119.157 -1.017 . . . . 21.21 109.85 176.839 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -167.73 88.66 0.71 Allowed Pre-proline 0 N--CA 1.442 -0.844 0 CA-C-O 123.765 1.745 . . . . 19.97 114.673 -174.932 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -47.72 -64.9 0.2 Allowed 'Trans proline' 0 C--O 1.254 1.307 0 N-CA-C 118.677 2.53 . . . . 15.12 118.677 -179.533 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' M3L . . . . . 0.445 ' HD2' HM13 ' A' ' 72' ' ' M3L . . . . . . . . 0 N--CA 1.494 1.754 0 CA-C-N 113.705 -1.588 . . . . 24.48 109.705 -177.637 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.2 tptt -64.77 -52.29 57.75 Favored 'General case' 0 C--N 1.284 -2.268 0 C-N-CA 126.05 1.74 . . . . 27.0 107.201 -179.173 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' TYR . . . . . 0.674 ' CE2' ' HE2' ' A' ' 55' ' ' LYS . 33.8 t80 -65.11 -41.02 95.31 Favored 'General case' 0 N--CA 1.425 -1.679 0 O-C-N 128.092 3.37 . . . . 29.23 117.282 179.674 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ILE . . . . . 0.495 ' O ' HG22 ' A' ' 78' ' ' THR 0.254 3.5 mt -139.52 79.05 25.57 Favored Pre-proline 0 CA--C 1.553 1.064 0 CA-C-O 127.679 3.609 . . . . 20.73 108.671 178.815 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -58.47 133.09 52.35 Favored 'Trans proline' 0 C--O 1.256 1.419 0 CA-C-N 110.609 -2.318 . . . . 18.78 106.194 -179.728 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.76 -10.4 58.94 Favored Glycine 0 C--O 1.264 1.971 0 CA-C-O 124.581 2.212 . . . . 14.58 112.019 177.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' THR . . . . . 0.495 HG22 ' O ' ' A' ' 75' ' ' ILE . 15.3 t -57.35 141.7 46.14 Favored 'General case' 0 C--O 1.267 1.992 0 CA-C-N 110.834 -2.683 . . . . 12.38 113.667 -179.946 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -89.04 11.37 18.54 Favored 'General case' 0 C--O 1.266 1.946 0 CA-C-O 115.577 -2.154 . . . . 12.51 111.741 -178.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.0 ttp -73.02 113.41 10.03 Favored 'General case' 0 CA--C 1.557 1.228 1 CA-C-O 110.868 -4.396 . . . . 11.99 107.157 178.564 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -98.07 69.52 2.04 Favored 'General case' 0 C--O 1.269 2.094 1 O-C-N 133.367 6.667 . . . . 18.85 114.134 -179.336 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -128.0 127.7 43.69 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 125.993 1.717 . . . . 18.83 110.373 -178.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.44 -56.68 20.29 Favored Glycine 0 N--CA 1.476 1.316 0 O-C-N 119.515 -1.991 . . . . 23.77 111.11 -178.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' GLY . . . . . 0.493 ' O ' ' NH2' ' A' ' 13' ' ' ARG . . . 151.32 -170.68 30.94 Favored Glycine 0 C--O 1.262 1.847 0 N-CA-C 108.883 -1.687 . . . . 21.66 108.883 179.813 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.6 mt -129.29 99.44 5.22 Favored 'General case' 0 C--O 1.261 1.698 0 N-CA-C 104.686 -2.338 . . . . 20.39 104.686 176.464 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -29.36 67.9 Favored 'General case' 0 C--O 1.263 1.788 0 C-N-CA 116.851 -1.94 . . . . 21.8 110.946 -177.422 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.3 mttp -86.83 119.66 27.29 Favored 'General case' 0 CA--C 1.482 -1.662 0 CA-C-O 128.218 3.866 . . . . 28.32 113.525 -176.245 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -57.02 -35.12 68.88 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-N 110.288 -3.142 . . . . 24.34 107.532 176.856 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . 0.294 0.0 OUTLIER -66.57 -36.26 82.22 Favored 'General case' 0 C--O 1.27 2.172 0 CA-C-O 113.219 -3.277 . . . . 18.3 108.784 179.57 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ASP . . . . . 0.766 ' HB3' HD21 ' A' ' 9' ' ' LEU . 36.0 m-20 -76.39 -37.95 56.42 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 126.68 2.487 . . . . 21.05 109.191 178.648 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ARG . . . . . 0.521 ' O ' HG13 ' A' ' 95' ' ' ILE . 9.0 mtm180 -61.67 -42.5 99.0 Favored 'General case' 0 C--O 1.284 2.907 0 O-C-N 127.969 3.293 . . . . 28.07 110.224 -178.909 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . 0.301 90.0 m-20 -58.67 -44.04 90.07 Favored 'General case' 0 C--O 1.25 1.114 0 O-C-N 125.568 1.792 . . . . 14.26 112.015 -176.666 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ASP . . . . . 0.715 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 84.1 m-20 -58.49 -46.07 87.43 Favored 'General case' 0 CA--C 1.562 1.411 1 O-C-N 129.725 4.391 . . . . 10.59 111.385 177.383 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 52.3 tp -62.79 -50.97 68.92 Favored 'General case' 0 C--O 1.279 2.629 0 CA-C-O 114.932 -2.461 . . . . 7.46 115.886 -176.017 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ILE . . . . . 0.521 HG13 ' O ' ' A' ' 91' ' ' ARG . 1.8 mt -57.17 -30.53 35.02 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 1 O-C-N 131.494 5.497 . . . . 10.8 110.53 -179.769 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.1 m -64.34 -56.92 11.14 Favored 'General case' 0 C--O 1.249 1.028 0 O-C-N 118.665 -2.522 . . . . 13.0 105.029 -179.066 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' TYR . . . . . 0.498 ' HB2' ' HA3' ' A' ' 6' ' ' GLY . 83.2 t80 -54.92 -47.48 74.35 Favored 'General case' 0 C--O 1.266 1.93 1 O-C-N 129.134 4.021 . . . . 15.21 109.821 178.008 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 79.3 mt -59.77 -54.69 43.31 Favored 'General case' 0 C--O 1.261 1.677 0 CA-C-N 112.308 -2.224 . . . . 17.79 112.691 -178.705 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' LYS . . . . . 0.467 ' HZ2' ' NZ ' ' A' ' 100' ' ' LYS . 0.4 OUTLIER -43.82 -47.26 8.11 Favored 'General case' 0 C--O 1.249 1.041 0 CA-C-O 128.091 3.805 . . . . 34.01 108.792 177.495 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 100' ' ' LYS . . . . . 0.467 ' NZ ' ' HZ2' ' A' ' 99' ' ' LYS . 15.7 mmtm -70.64 -54.32 12.39 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 111.671 -2.513 . . . . 26.03 114.146 179.352 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . 0.255 . . -81.35 -14.65 57.03 Favored 'General case' 0 N--CA 1.482 1.151 1 CA-C-O 110.648 -4.501 . . . . 13.04 119.968 -171.674 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 51.6 p -101.7 15.19 29.7 Favored 'General case' 0 C--N 1.292 -1.927 0 O-C-N 128.253 3.471 . . . . 19.24 111.593 178.881 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 . . . . . 0 C--O 1.256 1.447 0 CA-C-N 111.939 -2.391 . . . . 29.89 106.012 -179.608 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' SO4 . . . . . 0.517 ' O1 ' ' HE2' ' A' ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HEM . . . . . 0.512 ' O2A' ' HA ' ' A' ' 40' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . 0.466 ' O ' ' N ' ' A' ' 38' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 133' ' ' HOH . . . . . 0.405 ' O ' ' N ' ' A' ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 166' ' ' HOH . . . . . 0.436 ' O ' HD12 ' A' ' 75' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 168' ' ' HOH . . . . . 0.512 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 181' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 182' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 183' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 195' ' ' HOH . . . . . 0.456 ' O ' ' HA ' ' A' ' 19' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 197' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 300' ' ' HOH . . . . . 0.556 ' O ' ' HB1' ' A' ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 . . . . . 0.537 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 nobuild full ' A' A ' -5' ' ' THR . . . . . 0.586 ' O ' ' HG2' ' A' ' -4' ' ' GLU . 3.4 t . . . . . 0 N--CA 1.481 1.1 0 N-CA-C 108.044 -1.095 . . . . 48.539999999999999 108.044 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -4' ' ' GLU . . . . . 0.586 ' HG2' ' O ' ' A' ' -5' ' ' THR . 5.4 mt-10 -162.33 0.91 0.05 OUTLIER 'General case' 0 C--O 1.257 1.465 0 O-C-N 124.098 0.874 . . . . 48.399999999999999 111.722 179.373 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' -3' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -138.62 140.39 38.91 Favored 'General case' 0 C--O 1.262 1.725 0 O-C-N 125.937 2.023 . . . . 44.670000000000002 105.955 178.803 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 6.1 mtmm -128.68 154.34 46.39 Favored 'General case' 0 C--O 1.251 1.138 0 O-C-N 125.277 1.611 . . . . 44.25 109.645 -179.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -75.95 132.35 40.18 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 125.901 2.001 . . . . 36.549999999999997 113.361 -176.749 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -110.37 -162.5 18.61 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 127.607 2.527 . . . . 29.559999999999999 110.629 179.814 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' SER . . . . . 0.572 ' HB3' ' HB3' ' A' ' 5' ' ' LYS . 11.2 t -80.03 128.18 33.17 Favored 'General case' 0 C--O 1.279 2.628 0 C-N-CA 124.044 0.938 . . . . 20.420000000000002 109.482 -179.661 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.33 -42.28 45.55 Favored 'General case' 0 N--CA 1.5 2.031 0 C-N-CA 116.066 -2.254 . . . . 18.510000000000002 105.879 177.699 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.517 ' HE2' ' O1 ' ' A' ' 117' ' ' SO4 . 14.6 mttm -51.26 -50.23 59.65 Favored 'General case' 0 C--N 1.287 -2.123 0 O-C-N 120.041 -1.662 . . . . 27.920000000000002 109.608 178.565 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.715 ' HG2' ' OD2' ' A' ' 93' ' ' ASP . 8.2 tppt? -62.81 -39.49 94.45 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-N 113.685 -1.598 . . . . 23.199999999999999 109.552 -179.569 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.498 ' HA3' ' HB2' ' A' ' 97' ' ' TYR . . . -60.59 -53.55 44.46 Favored Glycine 0 CA--C 1.538 1.501 0 N-CA-C 106.364 -2.694 . . . . 13.43 106.364 177.844 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.41 -44.37 45.16 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 113.53 -3.129 . . . . 11.1 110.398 -179.468 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' THR . . . . . 0.457 ' O ' HG23 ' A' ' 12' ' ' THR . 71.7 p -77.55 -27.28 51.53 Favored 'General case' 0 C--O 1.254 1.328 1 O-C-N 130.322 4.763 . . . . 13.859999999999999 113.72 -178.375 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.766 HD21 ' HB3' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -68.44 -47.45 67.17 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 126.206 2.191 . . . . 20.559999999999999 105.208 -179.676 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.573 ' CD2' ' HB2' ' A' ' 14' ' ' CYS . 30.7 t80 -52.64 -55.67 20.83 Favored 'General case' 0 N--CA 1.512 2.641 0 CA-C-N 112.948 -1.933 . . . . 11.460000000000001 108.699 -176.254 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' HA ' ' HB2' ' A' ' 15' ' ' LEU . 7.7 mttt -55.04 -44.56 74.79 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-O 115.169 -2.348 . . . . 14.09 105.945 -178.178 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 8' ' ' THR . 12.8 p -76.52 -24.11 53.68 Favored 'General case' 0 N--CA 1.507 2.387 0 CA-C-N 121.534 1.97 . . . . 15.15 115.752 -177.643 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.493 ' NH2' ' O ' ' A' ' 84' ' ' GLY . 4.6 mtp180 -121.84 -21.31 6.11 Favored 'General case' 0 N--CA 1.502 2.167 0 N-CA-C 115.42 1.637 . . . . 41.869999999999997 115.42 178.813 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.573 ' HB2' ' CD2' ' A' ' 10' ' ' PHE . 3.8 m -113.62 -21.24 10.87 Favored 'General case' 0 CA--C 1.502 -0.872 0 CA-C-N 124.944 3.52 . . . . 8.9499999999999993 119.354 178.945 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.424 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 22.0 tp -57.03 -42.51 80.57 Favored 'General case' 0 C--N 1.279 -2.493 1 C-N-CA 134.178 4.991 . . . . 7.21 111.811 -176.199 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.471 ' NE2' ' O ' ' A' ' 307' ' ' HOH . 45.8 tt0 -42.57 -40.73 2.77 Favored 'General case' 0 N--CA 1.42 -1.971 1 O-C-N 130.671 4.982 . . . . 20.359999999999999 107.359 174.493 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 94.3 m -123.17 -0.86 8.81 Favored 'General case' 0 C--O 1.301 3.774 0 O-C-N 127.473 2.983 . . . . 7.8899999999999997 118.251 179.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -145.69 152.89 40.34 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 126.444 2.34 . . . . 6.3899999999999997 112.795 -177.088 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' THR . . . . . 0.683 ' HB ' ' OE1' ' A' ' 21' ' ' GLU . 37.8 p -111.24 160.11 17.29 Favored 'General case' 0 C--O 1.255 1.367 0 CA-C-N 109.877 -3.329 . . . . 8.3900000000000006 105.367 173.999 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.464 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 22.9 m -118.38 -25.63 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.603 0 O-C-N 127.461 2.976 . . . . 13.16 112.804 177.041 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.683 ' OE1' ' HB ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -60.69 146.76 44.52 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-O 124.823 2.249 . . . . 27.600000000000001 114.233 -177.773 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.9 tptt -62.46 110.49 1.69 Allowed 'General case' 0 C--O 1.255 1.388 0 CA-C-N 111.944 -2.389 . . . . 13.289999999999999 105.8 176.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 133' ' ' HOH . . . 88.4 19.37 52.68 Favored Glycine 0 N--CA 1.474 1.198 0 C-N-CA 115.866 -3.064 . . . . 13.039999999999999 110.31 -178.168 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.33 150.17 23.41 Favored Glycine 1 CA--C 1.594 5.022 1 N-CA-C 100.407 -5.077 . . . . 11.99 100.407 174.882 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.438 ' HD2' HG21 ' A' ' 19' ' ' THR . 6.2 Cg_exo -81.13 149.46 17.38 Favored 'Trans proline' 0 C--N 1.293 -2.379 0 C-N-CA 121.251 1.3 . . . . 8.7300000000000004 113.056 179.985 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -70.55 147.82 48.87 Favored 'General case' 0 N--CA 1.507 2.42 0 C-N-CA 116.218 -2.193 . . . . 16.48 105.306 170.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt -123.84 -119.99 0.28 Allowed 'General case' 0 C--O 1.263 1.788 0 N-CA-C 103.045 -2.946 . . . . 10.82 103.045 175.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.7 t -63.13 -47.83 90.61 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 N-CA-C 104.787 -2.301 . . . . 6.5700000000000003 104.787 177.274 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.41 165.81 13.67 Favored Glycine 0 CA--C 1.552 2.349 0 CA-C-N 109.577 -3.465 . . . . 6.6500000000000004 104.77 179.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -72.52 163.71 37.74 Favored 'Trans proline' 0 C--O 1.212 -0.782 1 O-C-N 129.308 4.32 . . . . 5.1799999999999997 110.949 -178.989 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . 0.287 4.3 t-20 -68.14 142.03 55.87 Favored 'General case' 0 C--O 1.277 2.514 1 O-C-N 129.638 4.336 . . . . 7.0 105.222 175.745 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.5 mt -102.23 3.01 37.82 Favored 'General case' 0 N--CA 1.52 3.038 0 C-N-CA 114.119 -3.032 . . . . 7.2400000000000002 113.19 -176.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -49.46 124.63 9.69 Favored 'General case' 0 C--O 1.282 2.793 0 C-N-CA 118.903 -1.119 . . . . 13.199999999999999 108.745 -178.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.03 13.57 83.22 Favored Glycine 0 CA--C 1.493 -1.327 0 N-CA-C 117.197 1.639 . . . . 6.0700000000000003 117.197 179.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.421 HD11 ' CD1' ' A' ' 59' ' ' TRP . 10.3 tp -46.62 -49.1 6.69 Favored 'Isoleucine or valine' 0 C--O 1.262 1.749 0 N-CA-C 118.201 2.667 . . . . 11.1 118.201 -179.074 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.495 ' HA ' ' O ' ' A' ' 59' ' ' TRP . 68.1 m-85 -63.31 129.56 40.77 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-O 114.914 -2.47 . . . . 23.0 107.489 -177.696 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.87 -33.34 6.64 Favored Glycine 0 N--CA 1.514 3.837 0 N-CA-C 105.778 -2.929 . . . . 25.43 105.778 177.831 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.512 ' NH1' ' O ' ' A' ' 168' ' ' HOH . 11.0 ttp180 -81.1 156.27 25.87 Favored 'General case' 0 C--O 1.263 1.779 0 O-C-N 128.86 3.329 . . . . 39.25 112.964 179.119 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.819 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 41.9 m80 -95.21 158.07 15.62 Favored 'General case' 0 C--O 1.259 1.594 0 CA-C-N 113.679 -1.601 . . . . 23.859999999999999 106.783 177.962 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' SER . . . . . 0.637 ' HB3' HG23 ' A' ' 57' ' ' VAL . 25.8 p -62.28 138.6 58.45 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-O 118.131 -0.938 . . . . 20.239999999999998 108.664 -178.848 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.782 ' HA2' ' CZ ' ' A' ' 48' ' ' TYR . . . 54.72 62.1 6.6 Favored Glycine 0 C--N 1.29 -2.026 0 N-CA-C 121.053 3.181 . . . . 23.25 121.053 176.64 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -135.55 6.74 3.26 Favored 'General case' 0 C--O 1.257 1.48 0 CA-C-O 117.613 -1.184 . . . . 24.5 113.254 -177.011 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.74 126.44 29.73 Favored 'General case' 0 C--O 1.267 2.005 0 N-CA-C 104.217 -2.512 . . . . 21.809999999999999 104.217 176.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 305' ' ' HOH . 4.8 pt-20 -77.63 138.94 39.39 Favored 'General case' 0 C--O 1.261 1.706 0 O-C-N 127.296 2.873 . . . . 33.490000000000002 114.545 -179.863 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.0 4.75 61.29 Favored Glycine 0 C--N 1.357 1.748 0 N-CA-C 106.629 -2.588 . . . . 12.869999999999999 106.629 177.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -111.93 137.85 49.35 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 118.104 -1.438 . . . . 11.199999999999999 107.778 177.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.7 t -89.85 86.3 6.61 Favored 'General case' 0 C--N 1.299 -1.62 1 O-C-N 129.291 4.119 . . . . 14.26 113.729 176.186 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.782 ' CZ ' ' HA2' ' A' ' 41' ' ' GLY . 98.9 m-85 -81.99 147.18 29.34 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 118.729 -2.482 . . . . 24.399999999999999 113.653 179.264 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.7 p -59.03 169.33 1.07 Allowed 'General case' 0 C--O 1.273 2.315 0 N-CA-C 106.785 -1.561 . . . . 12.109999999999999 106.785 173.967 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -70.87 -40.38 72.33 Favored 'General case' 0 C--O 1.2 -1.534 0 N-CA-C 105.282 -2.118 . . . . 20.120000000000001 105.282 -178.047 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -41.99 -50.78 4.57 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 126.912 2.633 . . . . 19.199999999999999 116.925 177.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.556 ' HB1' ' O ' ' A' ' 300' ' ' HOH . . . -64.21 -55.32 22.47 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 124.192 1.949 . . . . 22.530000000000001 113.136 -179.951 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -53.47 -45.59 58.23 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.408 0 CA-C-N 113.4 -1.727 . . . . 29.5 112.368 -179.293 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.42 -36.4 83.81 Favored 'General case' 0 C--N 1.295 -1.784 0 C-N-CA 128.623 2.769 . . . . 37.960000000000001 110.852 -178.866 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.922 ' HG2' HG22 ' A' ' 57' ' ' VAL . 27.7 tptt -63.45 -54.79 30.92 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.793 1.933 . . . . 34.710000000000001 106.165 179.899 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 57.9 65.62 1.28 Allowed 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 117.233 -1.787 . . . . 35.259999999999998 110.745 178.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.922 HG22 ' HG2' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -91.4 142.47 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.728 0 C-N-CA 127.963 2.505 . . . . 35.030000000000001 107.67 -179.927 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.578 HD23 ' NE2' ' A' ' 39' ' ' HIS . 0.7 OUTLIER -98.25 107.43 19.9 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 128.435 3.584 . . . . 34.82 101.591 176.44 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.534 ' HE1' ' HA ' ' A' ' 40' ' ' SER 0.3 74.4 m95 -75.93 103.72 6.14 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 113.524 -1.671 . . . . 27.350000000000001 108.707 -176.748 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.639 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 0.2 OUTLIER -125.53 167.71 14.66 Favored 'General case' 0 C--O 1.264 1.824 2 CA-C-N 107.1 -4.591 . . . . 29.48 101.72 177.224 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -34.87 78.69 Favored 'General case' 0 C--O 1.255 1.369 1 O-C-N 131.221 5.326 . . . . 36.409999999999997 114.478 -176.006 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.639 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 48.3 m-20 -68.27 -49.41 60.75 Favored 'General case' 0 C--N 1.274 -2.716 0 C-N-CA 128.253 2.621 . . . . 36.460000000000001 113.001 -178.714 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.46 ' OD1' ' OH ' ' A' ' 74' ' ' TYR . 0.8 OUTLIER -62.64 -44.44 96.26 Favored 'General case' 0 C--N 1.297 -1.688 2 CA-C-O 131.901 5.62 . . . . 29.859999999999999 112.035 178.621 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' MET . . . . . 0.412 ' HG3' HD13 ' A' ' 95' ' ' ILE . 49.3 tpp -57.4 -40.26 77.89 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 110.003 -3.271 . . . . 17.93 110.094 177.335 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.2 t -71.18 -41.64 70.07 Favored 'General case' 0 C--O 1.274 2.378 0 C-N-CA 125.572 1.549 . . . . 17.879999999999999 109.333 179.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.18 -44.15 76.56 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 126.723 3.154 . . . . 40.090000000000003 108.685 178.152 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -57.59 -46.71 83.68 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 118.209 -2.807 . . . . 22.949999999999999 108.518 178.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.443 ' HA ' HD23 ' A' ' 68' ' ' LEU 0.327 39.5 mt -60.28 -29.43 68.81 Favored 'General case' 0 C--O 1.258 1.537 0 N-CA-C 116.577 2.066 . . . . 19.039999999999999 116.577 -179.967 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.05 -36.17 79.44 Favored 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 119.157 -1.017 . . . . 21.210000000000001 109.85 176.839 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -167.73 88.66 0.71 Allowed Pre-proline 0 N--CA 1.442 -0.844 0 CA-C-O 123.765 1.745 . . . . 19.969999999999999 114.673 -174.932 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -47.72 -64.9 0.2 Allowed 'Trans proline' 0 C--O 1.254 1.307 0 N-CA-C 118.677 2.53 . . . . 15.119999999999999 118.677 -179.533 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' M3L . . . . . 0.445 ' HD2' HM13 ' A' ' 72' ' ' M3L . . . . . . . . 0 N--CA 1.494 1.754 0 CA-C-N 113.705 -1.588 . . . . 24.48 109.705 -177.637 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.2 tptt -64.77 -52.29 57.75 Favored 'General case' 0 C--N 1.284 -2.268 0 C-N-CA 126.05 1.74 . . . . 27.0 107.201 -179.173 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.674 ' CE2' ' HE2' ' A' ' 55' ' ' LYS . 33.8 t80 -65.11 -41.02 95.31 Favored 'General case' 0 N--CA 1.425 -1.679 0 O-C-N 128.092 3.37 . . . . 29.23 117.282 179.674 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.495 ' O ' HG22 ' A' ' 78' ' ' THR 0.254 3.5 mt -139.52 79.05 25.57 Favored Pre-proline 0 CA--C 1.553 1.064 0 CA-C-O 127.679 3.609 . . . . 20.73 108.671 178.815 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -58.47 133.09 52.35 Favored 'Trans proline' 0 C--O 1.256 1.419 0 CA-C-N 110.609 -2.318 . . . . 18.780000000000001 106.194 -179.728 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.76 -10.4 58.94 Favored Glycine 0 C--O 1.264 1.971 0 CA-C-O 124.581 2.212 . . . . 14.58 112.019 177.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' THR . . . . . 0.495 HG22 ' O ' ' A' ' 75' ' ' ILE . 15.3 t -57.35 141.7 46.14 Favored 'General case' 0 C--O 1.267 1.992 0 CA-C-N 110.834 -2.683 . . . . 12.380000000000001 113.667 -179.946 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -89.04 11.37 18.54 Favored 'General case' 0 C--O 1.266 1.946 0 CA-C-O 115.577 -2.154 . . . . 12.51 111.741 -178.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.0 ttp -73.02 113.41 10.03 Favored 'General case' 0 CA--C 1.557 1.228 1 CA-C-O 110.868 -4.396 . . . . 11.99 107.157 178.564 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -98.07 69.52 2.04 Favored 'General case' 0 C--O 1.269 2.094 1 O-C-N 133.367 6.667 . . . . 18.850000000000001 114.134 -179.336 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -128.0 127.7 43.69 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 125.993 1.717 . . . . 18.829999999999998 110.373 -178.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.44 -56.68 20.29 Favored Glycine 0 N--CA 1.476 1.316 0 O-C-N 119.515 -1.991 . . . . 23.77 111.11 -178.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.493 ' O ' ' NH2' ' A' ' 13' ' ' ARG . . . 151.32 -170.68 30.94 Favored Glycine 0 C--O 1.262 1.847 0 N-CA-C 108.883 -1.687 . . . . 21.66 108.883 179.813 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.6 mt -129.29 99.44 5.22 Favored 'General case' 0 C--O 1.261 1.698 0 N-CA-C 104.686 -2.338 . . . . 20.390000000000001 104.686 176.464 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -29.36 67.9 Favored 'General case' 0 C--O 1.263 1.788 0 C-N-CA 116.851 -1.94 . . . . 21.800000000000001 110.946 -177.422 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.3 mttp -86.83 119.66 27.29 Favored 'General case' 0 CA--C 1.482 -1.662 0 CA-C-O 128.218 3.866 . . . . 28.32 113.525 -176.245 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -57.02 -35.12 68.88 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-N 110.288 -3.142 . . . . 24.34 107.532 176.856 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . 0.294 0.0 OUTLIER -66.57 -36.26 82.22 Favored 'General case' 0 C--O 1.27 2.172 0 CA-C-O 113.219 -3.277 . . . . 18.300000000000001 108.784 179.57 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.766 ' HB3' HD21 ' A' ' 9' ' ' LEU . 36.0 m-20 -76.39 -37.95 56.42 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 126.68 2.487 . . . . 21.050000000000001 109.191 178.648 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.521 ' O ' HG13 ' A' ' 95' ' ' ILE . 9.0 mtm180 -61.67 -42.5 99.0 Favored 'General case' 0 C--O 1.284 2.907 0 O-C-N 127.969 3.293 . . . . 28.07 110.224 -178.909 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . 0.301 90.0 m-20 -58.67 -44.04 90.07 Favored 'General case' 0 C--O 1.25 1.114 0 O-C-N 125.568 1.792 . . . . 14.26 112.015 -176.666 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.715 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 84.1 m-20 -58.49 -46.07 87.43 Favored 'General case' 0 CA--C 1.562 1.411 1 O-C-N 129.725 4.391 . . . . 10.59 111.385 177.383 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 52.3 tp -62.79 -50.97 68.92 Favored 'General case' 0 C--O 1.279 2.629 0 CA-C-O 114.932 -2.461 . . . . 7.46 115.886 -176.017 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.521 HG13 ' O ' ' A' ' 91' ' ' ARG . 1.8 mt -57.17 -30.53 35.02 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 1 O-C-N 131.494 5.497 . . . . 10.800000000000001 110.53 -179.769 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.1 m -64.34 -56.92 11.14 Favored 'General case' 0 C--O 1.249 1.028 0 O-C-N 118.665 -2.522 . . . . 13.0 105.029 -179.066 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.498 ' HB2' ' HA3' ' A' ' 6' ' ' GLY . 83.2 t80 -54.92 -47.48 74.35 Favored 'General case' 0 C--O 1.266 1.93 1 O-C-N 129.134 4.021 . . . . 15.210000000000001 109.821 178.008 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 79.3 mt -59.77 -54.69 43.31 Favored 'General case' 0 C--O 1.261 1.677 0 CA-C-N 112.308 -2.224 . . . . 17.789999999999999 112.691 -178.705 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.467 ' HZ2' ' NZ ' ' A' ' 100' ' ' LYS . 0.4 OUTLIER -43.82 -47.26 8.11 Favored 'General case' 0 C--O 1.249 1.041 0 CA-C-O 128.091 3.805 . . . . 34.009999999999998 108.792 177.495 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.467 ' NZ ' ' HZ2' ' A' ' 99' ' ' LYS . 15.7 mmtm -70.64 -54.32 12.39 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 111.671 -2.513 . . . . 26.030000000000001 114.146 179.352 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . 0.255 . . -81.35 -14.65 57.03 Favored 'General case' 0 N--CA 1.482 1.151 1 CA-C-O 110.648 -4.501 . . . . 13.039999999999999 119.968 -171.674 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 51.6 p -101.7 15.19 29.7 Favored 'General case' 0 C--N 1.292 -1.927 0 O-C-N 128.253 3.471 . . . . 19.239999999999998 111.593 178.881 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 . . . . . 0 C--O 1.256 1.447 0 CA-C-N 111.939 -2.391 . . . . 29.890000000000001 106.012 -179.608 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' SO4 . . . . . 0.517 ' O1 ' ' HE2' ' A' ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HEM . . . . . 0.512 ' O2A' ' HA ' ' A' ' 40' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . 0.466 ' O ' ' N ' ' A' ' 38' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' HOH . . . . . 0.405 ' O ' ' N ' ' A' ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 166' ' ' HOH . . . . . 0.436 ' O ' HD12 ' A' ' 75' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 168' ' ' HOH . . . . . 0.512 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 181' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 182' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 183' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 195' ' ' HOH . . . . . 0.456 ' O ' ' HA ' ' A' ' 19' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 197' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 300' ' ' HOH . . . . . 0.556 ' O ' ' HB1' ' A' ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 . . . . . 0.537 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 307' ' ' HOH . . . . . 0.471 ' O ' ' NE2' ' A' ' 16' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 stop_ save_