data_1c94_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 1c94 _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 ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.489 -1.542 1 N-CA-C 101.809 -4.516 . . . . 101.58 101.809 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -117.39 -15.78 6.35 Favored Glycine 0 N--CA 1.442 -0.965 0 CA-C-N 113.079 -1.561 . . . . 99.47 109.941 179.661 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -117.18 -170.19 1.8 Allowed 'General case' 0 C--O 1.241 0.633 0 C-N-CA 117.754 -1.579 . . . . 126.07 107.96 -179.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . 0.251 0.0 OUTLIER -144.15 102.89 3.93 Favored 'General case' 0 C--O 1.258 1.529 0 N-CA-C 119.847 3.277 . . . . 91.68 119.847 176.935 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.99 -18.73 62.53 Favored Glycine 0 C--O 1.22 -0.726 1 N-CA-C 97.692 -6.163 . . . . 50.06 97.692 174.235 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 49.2 t -63.27 -45.66 97.71 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.043 0 CA-C-O 123.145 1.45 . . . . 40.1 112.748 176.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.9 mt -61.72 -43.05 99.6 Favored 'General case' 0 CA--C 1.481 -1.696 0 N-CA-C 107.159 -1.422 . . . . 40.48 107.159 179.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -61.0 -42.67 98.9 Favored 'General case' 0 N--CA 1.431 -1.403 0 C-N-CA 116.852 -1.939 . . . . 53.45 112.438 -179.065 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.2 tptm -63.49 -42.63 98.53 Favored 'General case' 0 C--O 1.209 -1.07 0 CA-C-O 122.467 1.127 . . . . 59.51 109.099 179.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.2 mt -66.56 -28.01 68.19 Favored 'General case' 0 C--O 1.262 1.723 0 O-C-N 119.206 -2.184 . . . . 35.06 110.866 -179.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.7 ttm-85 -74.36 -42.35 59.5 Favored 'General case' 0 C--O 1.181 -2.525 0 O-C-N 120.209 -1.557 . . . . 55.41 108.372 -177.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.39 -44.0 92.85 Favored 'General case' 0 CA--C 1.562 1.441 0 N-CA-C 108.182 -1.044 . . . . 25.77 108.182 174.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.7 t -57.23 -53.67 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 CA-C-O 123.313 1.53 . . . . 21.59 112.471 177.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -61.61 -39.74 92.33 Favored 'General case' 0 C--O 1.267 2.02 0 O-C-N 120.276 -1.515 . . . . 32.97 112.022 178.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -61.1 -45.07 96.23 Favored 'General case' 0 CA--C 1.583 2.215 0 C-N-CA 117.624 -1.63 . . . . 29.33 111.431 175.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -59.18 -37.63 77.86 Favored 'General case' 0 C--O 1.276 2.448 0 O-C-N 120.819 -1.176 . . . . 25.99 111.495 179.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 tp -67.58 -39.82 84.87 Favored 'General case' 0 C--O 1.273 2.321 0 CA-C-O 121.681 0.753 . . . . 37.25 110.976 176.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -65.61 -31.48 72.53 Favored 'General case' 0 C--O 1.283 2.819 0 O-C-N 119.613 -1.929 . . . . 23.02 110.85 177.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -64.56 -39.59 94.03 Favored 'General case' 0 N--CA 1.518 2.944 0 CA-C-O 124.005 1.86 . . . . 44.03 108.866 176.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -73.03 -36.08 66.89 Favored 'General case' 0 C--N 1.29 -2.006 0 O-C-N 118.735 -2.478 . . . . 23.09 105.886 -176.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -56.43 -47.51 78.92 Favored 'General case' 0 C--O 1.251 1.183 0 C-N-CA 117.709 -1.596 . . . . 52.81 114.305 174.63 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.0 m -67.82 -39.74 83.9 Favored 'General case' 0 C--O 1.277 2.524 0 N-CA-C 105.184 -2.154 . . . . 26.67 105.184 -178.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LEU . . . . . 0.418 ' CD1' ' CD ' ' B' ' 29' ' ' LYS . 19.3 tp -65.1 -34.11 77.63 Favored 'General case' 1 C--O 1.316 4.586 0 C-N-CA 112.221 -3.791 . . . . 44.96 114.837 -179.456 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.42 -39.24 85.49 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 105.986 -1.857 . . . . 28.6 105.986 -179.393 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 39' ' ' HOH . 29.8 mm-40 -67.42 -35.15 78.69 Favored 'General case' 0 C--O 1.251 1.145 0 CA-C-N 120.035 1.289 . . . . 56.44 110.856 177.079 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -65.05 -41.29 95.3 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 106.007 -1.849 . . . . 51.45 106.007 178.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 50.8 t -60.93 -57.89 10.03 Favored 'Isoleucine or valine' 0 N--CA 1.535 3.811 0 CA-C-O 124.133 1.92 . . . . 20.81 109.029 176.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -51.32 -42.63 61.36 Favored 'General case' 0 C--O 1.272 2.28 0 O-C-N 117.066 -3.521 . . . . 63.94 114.023 178.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ASP . . . . . 0.643 ' OD1' ' O ' ' A' ' 60' ' ' HOH . 86.5 m-20 -64.35 -42.96 95.95 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 106.601 -1.629 . . . . 54.13 106.601 -179.658 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -65.88 -25.77 67.33 Favored 'General case' 0 CA--C 1.496 -1.103 0 C-N-CA 118.352 -1.339 . . . . 51.19 113.715 179.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . 0.427 ' C ' ' N ' ' A' ' 34' ' ' LYS . 10.5 mt -80.52 -44.12 19.61 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-O 122.637 1.208 . . . . 40.68 109.143 -179.62 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -71.99 4.27 3.6 Favored 'General case' 0 CA--C 1.48 -1.721 0 C-N-CA 117.006 -1.878 . . . . 69.94 108.979 -175.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LYS . . . . . 0.518 ' O ' ' N ' ' A' ' 36' ' ' ARG . 5.0 tttt -93.15 -68.99 0.77 Allowed 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 105.674 -1.973 . . . . 77.33 105.674 179.521 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.2 ptm -68.13 40.44 0.03 OUTLIER 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 119.402 -0.919 . . . . 93.82 112.152 -178.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ARG . . . . . 0.631 ' CG ' ' N ' ' A' ' 37' ' ' GLN . 9.3 ttm180 -120.25 174.78 6.3 Favored 'General case' 0 CA--C 1.559 1.319 0 C-N-CA 125.304 1.441 . . . . 95.6 114.253 -179.261 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLN . . . . . 0.631 ' N ' ' CG ' ' A' ' 36' ' ' ARG . 5.8 tt0 -17.0 -66.91 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.271 0 C-N-CA 127.633 2.373 . . . . 103.44 114.239 -179.639 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.6 mt . . . . . 0 C--O 1.248 1.014 0 N-CA-C 101.606 -3.479 . . . . 99.54 101.606 174.835 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.509 3.529 0 N-CA-C 118.316 2.086 . . . . 85.81 118.316 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -34.42 -108.02 0.0 OUTLIER Glycine 0 CA--C 1.541 1.708 1 N-CA-C 124.702 4.641 . . . . 85.07 124.702 -178.296 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.02 -158.95 0.78 Allowed 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 100.291 -3.966 . . . . 82.58 100.291 178.39 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.67 104.4 3.88 Favored 'General case' 0 C--O 1.269 2.111 0 N-CA-C 119.855 3.28 . . . . 85.83 119.855 175.864 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.49 -21.2 58.74 Favored Glycine 0 C--O 1.21 -1.377 1 N-CA-C 98.654 -5.778 . . . . 45.03 98.654 173.876 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 32.2 t -61.75 -42.58 94.93 Favored 'Isoleucine or valine' 0 C--O 1.257 1.451 0 N-CA-C 114.863 1.431 . . . . 41.86 114.863 176.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 11.1 mt -65.93 -40.36 91.36 Favored 'General case' 0 C--O 1.27 2.166 0 N-CA-C 105.984 -1.858 . . . . 40.34 105.984 179.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -63.45 -36.8 84.96 Favored 'General case' 0 CA--C 1.493 -1.219 0 C-N-CA 116.17 -2.212 . . . . 81.91 110.933 -178.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -73.03 -37.77 66.79 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 107.82 -1.178 . . . . 64.03 107.82 -178.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.4 mt -69.45 -31.3 69.53 Favored 'General case' 0 C--N 1.306 -1.326 0 O-C-N 119.15 -2.219 . . . . 27.77 108.867 -179.692 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 6.1 ttm-85 -68.0 -41.39 82.31 Favored 'General case' 0 C--O 1.188 -2.174 0 O-C-N 118.615 -2.553 . . . . 59.82 109.82 -178.246 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.62 -40.65 95.6 Favored 'General case' 0 CA--C 1.493 -1.236 0 CA-C-O 123.592 1.663 . . . . 23.41 109.23 173.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 16.8 t -63.25 -48.03 89.41 Favored 'Isoleucine or valine' 0 C--O 1.257 1.494 0 O-C-N 119.865 -1.772 . . . . 25.0 112.945 -179.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -66.03 -37.31 85.55 Favored 'General case' 0 C--O 1.259 1.601 0 O-C-N 121.025 -1.047 . . . . 27.81 110.834 178.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -62.48 -44.08 97.26 Favored 'General case' 0 CA--C 1.6 2.892 0 C-N-CA 116.949 -1.901 . . . . 25.58 111.293 173.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -62.12 -35.67 79.46 Favored 'General case' 0 CA--C 1.484 -1.595 0 O-C-N 120.741 -1.224 . . . . 27.21 111.723 179.24 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.1 tp -67.22 -41.95 84.87 Favored 'General case' 0 CA--C 1.504 -0.794 0 C-N-CA 119.327 -0.949 . . . . 32.1 109.266 176.226 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -63.12 -30.89 71.95 Favored 'General case' 0 C--O 1.274 2.373 0 CA-C-N 119.884 1.22 . . . . 26.2 109.655 179.561 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -67.91 -43.36 79.41 Favored 'General case' 0 N--CA 1.517 2.885 0 C-N-CA 117.841 -1.544 . . . . 39.0 108.191 178.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -65.98 -37.53 86.2 Favored 'General case' 0 N--CA 1.532 3.672 0 N-CA-C 106.495 -1.668 . . . . 25.24 106.495 179.174 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -57.61 -43.86 85.06 Favored 'General case' 0 C--O 1.26 1.613 0 N-CA-C 117.406 2.373 . . . . 46.45 117.406 174.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 6.7 m -68.42 -35.62 77.89 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 118.341 -2.725 . . . . 27.22 107.542 179.191 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 11.0 tp -67.49 -42.4 82.97 Favored 'General case' 0 C--O 1.259 1.605 0 C-N-CA 116.369 -2.132 . . . . 46.38 113.037 178.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.25 -41.63 97.23 Favored 'General case' 0 CA--C 1.473 -1.985 0 N-CA-C 107.955 -1.128 . . . . 34.04 107.955 178.485 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' GLU . . . . . 0.543 ' CG ' ' O ' ' B' ' 43' ' ' HOH . 26.4 mm-40 -64.54 -35.74 81.95 Favored 'General case' 0 CA--C 1.565 1.531 0 CA-C-N 120.217 1.372 . . . . 52.73 110.529 177.67 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -64.38 -41.99 96.39 Favored 'General case' 0 C--O 1.294 3.414 0 N-CA-C 108.403 -0.962 . . . . 50.1 108.403 176.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 40.2 t -63.08 -53.59 44.41 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.13 0 CA-C-O 123.342 1.544 . . . . 24.01 108.606 176.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LYS . . . . . 0.418 ' CD ' ' CD1' ' A' ' 24' ' ' LEU . 16.9 ttpp -52.73 -46.4 67.39 Favored 'General case' 0 C--N 1.312 -1.051 0 O-C-N 118.817 -2.427 . . . . 52.0 113.821 177.566 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -62.79 -40.21 96.64 Favored 'General case' 0 C--O 1.193 -1.914 0 N-CA-C 106.889 -1.523 . . . . 42.71 106.889 -178.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -68.66 -28.41 66.85 Favored 'General case' 0 CA--C 1.448 -2.951 0 C-N-CA 118.426 -1.309 . . . . 49.29 111.953 -178.419 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 11.9 mt -75.57 -45.44 37.75 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 117.458 -1.697 . . . . 50.19 111.834 178.07 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' GLN . . . . . 0.423 ' CB ' ' NH2' ' B' ' 36' ' ' ARG . 46.0 mt-30 -71.31 4.68 2.7 Favored 'General case' 0 CA--C 1.499 -0.998 0 C-N-CA 117.163 -1.815 . . . . 66.99 109.536 -176.268 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt -93.41 -65.09 1.02 Allowed 'General case' 0 N--CA 1.433 -1.292 0 N-CA-C 105.318 -2.104 . . . . 77.87 105.318 179.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 4.1 ptm -71.45 30.82 0.05 OUTLIER 'General case' 0 C--O 1.237 0.403 0 N-CA-C 113.898 1.073 . . . . 82.49 113.898 -179.553 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' ARG . . . . . 0.423 ' NH2' ' CB ' ' B' ' 33' ' ' GLN . 9.0 ttm180 -115.61 34.39 4.95 Favored 'General case' 0 CA--C 1.514 -0.41 1 N-CA-C 97.313 -5.069 . . . . 101.13 97.313 176.398 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -158.5 -51.77 0.06 Allowed 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 114.069 -1.423 . . . . 121.1 108.141 -177.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 8.9 mt . . . . . 0 C--O 1.246 0.883 0 N-CA-C 113.75 1.019 . . . . 96.88 113.75 -179.377 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' HOH . . . . . 0.405 ' O ' ' CG ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' HOH . . . . . 0.643 ' O ' ' OD1' ' A' ' 30' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' HOH . . . . . 0.543 ' O ' ' CG ' ' B' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.489 -1.542 1 N-CA-C 101.809 -4.516 . . . . 101.58 101.809 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -117.39 -15.78 6.35 Favored Glycine 0 N--CA 1.442 -0.965 0 CA-C-N 113.079 -1.561 . . . . 99.47 109.941 179.661 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -117.18 -170.19 1.8 Allowed 'General case' 0 C--O 1.241 0.633 0 C-N-CA 117.754 -1.579 . . . . 126.07 107.96 -179.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLU . . . . . 0.591 ' HA ' ' O ' ' A' ' 64' ' ' HOH 0.251 0.0 OUTLIER -144.15 102.89 3.93 Favored 'General case' 0 C--O 1.258 1.529 0 N-CA-C 119.847 3.277 . . . . 91.68 119.847 176.935 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.99 -18.73 62.53 Favored Glycine 0 C--O 1.22 -0.726 1 N-CA-C 97.692 -6.163 . . . . 50.06 97.692 174.235 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 49.2 t -63.27 -45.66 97.71 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.043 0 CA-C-O 123.145 1.45 . . . . 40.1 112.748 176.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 8' ' ' LEU . 9.9 mt -61.72 -43.05 99.6 Favored 'General case' 0 CA--C 1.481 -1.696 0 N-CA-C 107.159 -1.422 . . . . 40.48 107.159 179.655 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -61.0 -42.67 98.9 Favored 'General case' 0 N--CA 1.431 -1.403 0 C-N-CA 116.852 -1.939 . . . . 53.45 112.438 -179.065 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LYS . . . . . 0.466 ' HE3' ' O ' ' B' ' 42' ' ' HOH . 6.2 tptm -63.49 -42.63 98.53 Favored 'General case' 0 C--O 1.209 -1.07 0 CA-C-O 122.467 1.127 . . . . 59.51 109.099 179.333 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.2 mt -66.56 -28.01 68.19 Favored 'General case' 0 C--O 1.262 1.723 0 O-C-N 119.206 -2.184 . . . . 35.06 110.866 -179.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ARG . . . . . 0.4 HH11 ' HG3' ' A' ' 12' ' ' ARG . 3.7 ttm-85 -74.36 -42.35 59.5 Favored 'General case' 0 C--O 1.181 -2.525 0 O-C-N 120.209 -1.557 . . . . 55.41 108.372 -177.686 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.39 -44.0 92.85 Favored 'General case' 0 CA--C 1.562 1.441 0 N-CA-C 108.182 -1.044 . . . . 25.77 108.182 174.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.7 t -57.23 -53.67 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 CA-C-O 123.313 1.53 . . . . 21.59 112.471 177.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -61.61 -39.74 92.33 Favored 'General case' 0 C--O 1.267 2.02 0 O-C-N 120.276 -1.515 . . . . 32.97 112.022 178.179 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -61.1 -45.07 96.23 Favored 'General case' 0 CA--C 1.583 2.215 0 C-N-CA 117.624 -1.63 . . . . 29.33 111.431 175.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -59.18 -37.63 77.86 Favored 'General case' 0 C--O 1.276 2.448 0 O-C-N 120.819 -1.176 . . . . 25.99 111.495 179.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LEU . . . . . 0.818 HD13 HD11 ' B' ' 18' ' ' LEU . 2.5 tp -67.58 -39.82 84.87 Favored 'General case' 0 C--O 1.273 2.321 0 CA-C-O 121.681 0.753 . . . . 37.25 110.976 176.272 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -65.61 -31.48 72.53 Favored 'General case' 0 C--O 1.283 2.819 0 O-C-N 119.613 -1.929 . . . . 23.02 110.85 177.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -64.56 -39.59 94.03 Favored 'General case' 0 N--CA 1.518 2.944 0 CA-C-O 124.005 1.86 . . . . 44.03 108.866 176.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -73.03 -36.08 66.89 Favored 'General case' 0 C--N 1.29 -2.006 0 O-C-N 118.735 -2.478 . . . . 23.09 105.886 -176.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -56.43 -47.51 78.92 Favored 'General case' 0 C--O 1.251 1.183 0 C-N-CA 117.709 -1.596 . . . . 52.81 114.305 174.63 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.0 m -67.82 -39.74 83.9 Favored 'General case' 0 C--O 1.277 2.524 0 N-CA-C 105.184 -2.154 . . . . 26.67 105.184 -178.34 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LEU . . . . . 1.066 HD11 ' HD3' ' B' ' 29' ' ' LYS . 19.3 tp -65.1 -34.11 77.63 Favored 'General case' 1 C--O 1.316 4.586 0 C-N-CA 112.221 -3.791 . . . . 44.96 114.837 -179.456 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LEU . . . . . 0.709 HD13 HD11 ' B' ' 25' ' ' LEU . 0.5 OUTLIER -67.42 -39.24 85.49 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 105.986 -1.857 . . . . 28.6 105.986 -179.393 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLU . . . . . 0.864 ' HG3' ' O ' ' A' ' 39' ' ' HOH . 29.8 mm-40 -67.42 -35.15 78.69 Favored 'General case' 0 C--O 1.251 1.145 0 CA-C-N 120.035 1.289 . . . . 56.44 110.856 177.079 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLU . . . . . 0.594 ' OE1' ' HD2' ' B' ' 29' ' ' LYS . 15.6 tt0 -65.05 -41.29 95.3 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 106.007 -1.849 . . . . 51.45 106.007 178.354 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 50.8 t -60.93 -57.89 10.03 Favored 'Isoleucine or valine' 0 N--CA 1.535 3.811 0 CA-C-O 124.133 1.92 . . . . 20.81 109.029 176.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LYS . . . . . 0.571 ' O ' ' HG3' ' A' ' 33' ' ' GLN . 18.2 ttpp -51.32 -42.63 61.36 Favored 'General case' 0 C--O 1.272 2.28 0 O-C-N 117.066 -3.521 . . . . 63.94 114.023 178.678 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ASP . . . . . 0.643 ' OD1' ' O ' ' A' ' 60' ' ' HOH . 86.5 m-20 -64.35 -42.96 95.95 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 106.601 -1.629 . . . . 54.13 106.601 -179.658 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -65.88 -25.77 67.33 Favored 'General case' 0 CA--C 1.496 -1.103 0 C-N-CA 118.352 -1.339 . . . . 51.19 113.715 179.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . 0.516 ' C ' ' H ' ' A' ' 34' ' ' LYS . 10.5 mt -80.52 -44.12 19.61 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-O 122.637 1.208 . . . . 40.68 109.143 -179.62 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLN . . . . . 0.571 ' HG3' ' O ' ' A' ' 29' ' ' LYS . 55.6 mt-30 -71.99 4.27 3.6 Favored 'General case' 0 CA--C 1.48 -1.721 0 C-N-CA 117.006 -1.878 . . . . 69.94 108.979 -175.62 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LYS . . . . . 0.516 ' H ' ' C ' ' A' ' 32' ' ' LEU . 5.0 tttt -93.15 -68.99 0.77 Allowed 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 105.674 -1.973 . . . . 77.33 105.674 179.521 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.2 ptm -68.13 40.44 0.03 OUTLIER 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 119.402 -0.919 . . . . 93.82 112.152 -178.932 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ARG . . . . . 0.998 ' HG2' ' N ' ' A' ' 37' ' ' GLN . 9.3 ttm180 -120.25 174.78 6.3 Favored 'General case' 0 CA--C 1.559 1.319 0 C-N-CA 125.304 1.441 . . . . 95.6 114.253 -179.261 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLN . . . . . 0.998 ' N ' ' HG2' ' A' ' 36' ' ' ARG . 5.8 tt0 -17.0 -66.91 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.271 0 C-N-CA 127.633 2.373 . . . . 103.44 114.239 -179.639 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LEU . . . . . 0.794 ' HG ' ' OE1' ' A' ' 37' ' ' GLN . 9.6 mt . . . . . 0 C--O 1.248 1.014 0 N-CA-C 101.606 -3.479 . . . . 99.54 101.606 174.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.509 3.529 0 N-CA-C 118.316 2.086 . . . . 85.81 118.316 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -34.42 -108.02 0.0 OUTLIER Glycine 0 CA--C 1.541 1.708 1 N-CA-C 124.702 4.641 . . . . 85.07 124.702 -178.296 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ARG . . . . . 0.407 ' H ' ' HG2' ' B' ' 4' ' ' ARG . 0.4 OUTLIER -121.02 -158.95 0.78 Allowed 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 100.291 -3.966 . . . . 82.58 100.291 178.39 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.67 104.4 3.88 Favored 'General case' 0 C--O 1.269 2.111 0 N-CA-C 119.855 3.28 . . . . 85.83 119.855 175.864 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.49 -21.2 58.74 Favored Glycine 0 C--O 1.21 -1.377 1 N-CA-C 98.654 -5.778 . . . . 45.03 98.654 173.876 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 32.2 t -61.75 -42.58 94.93 Favored 'Isoleucine or valine' 0 C--O 1.257 1.451 0 N-CA-C 114.863 1.431 . . . . 41.86 114.863 176.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 11.1 mt -65.93 -40.36 91.36 Favored 'General case' 0 C--O 1.27 2.166 0 N-CA-C 105.984 -1.858 . . . . 40.34 105.984 179.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -63.45 -36.8 84.96 Favored 'General case' 0 CA--C 1.493 -1.219 0 C-N-CA 116.17 -2.212 . . . . 81.91 110.933 -178.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' LYS . . . . . 0.523 ' HE3' ' O ' ' B' ' 65' ' ' HOH . 4.1 tptm -73.03 -37.77 66.79 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 107.82 -1.178 . . . . 64.03 107.82 -178.368 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.4 mt -69.45 -31.3 69.53 Favored 'General case' 0 C--N 1.306 -1.326 0 O-C-N 119.15 -2.219 . . . . 27.77 108.867 -179.692 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 6.1 ttm-85 -68.0 -41.39 82.31 Favored 'General case' 0 C--O 1.188 -2.174 0 O-C-N 118.615 -2.553 . . . . 59.82 109.82 -178.246 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.62 -40.65 95.6 Favored 'General case' 0 CA--C 1.493 -1.236 0 CA-C-O 123.592 1.663 . . . . 23.41 109.23 173.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 16.8 t -63.25 -48.03 89.41 Favored 'Isoleucine or valine' 0 C--O 1.257 1.494 0 O-C-N 119.865 -1.772 . . . . 25.0 112.945 -179.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -66.03 -37.31 85.55 Favored 'General case' 0 C--O 1.259 1.601 0 O-C-N 121.025 -1.047 . . . . 27.81 110.834 178.618 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -62.48 -44.08 97.26 Favored 'General case' 0 CA--C 1.6 2.892 0 C-N-CA 116.949 -1.901 . . . . 25.58 111.293 173.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -62.12 -35.67 79.46 Favored 'General case' 0 CA--C 1.484 -1.595 0 O-C-N 120.741 -1.224 . . . . 27.21 111.723 179.24 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' LEU . . . . . 0.818 HD11 HD13 ' A' ' 18' ' ' LEU . 3.1 tp -67.22 -41.95 84.87 Favored 'General case' 0 CA--C 1.504 -0.794 0 C-N-CA 119.327 -0.949 . . . . 32.1 109.266 176.226 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -63.12 -30.89 71.95 Favored 'General case' 0 C--O 1.274 2.373 0 CA-C-N 119.884 1.22 . . . . 26.2 109.655 179.561 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -67.91 -43.36 79.41 Favored 'General case' 0 N--CA 1.517 2.885 0 C-N-CA 117.841 -1.544 . . . . 39.0 108.191 178.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -65.98 -37.53 86.2 Favored 'General case' 0 N--CA 1.532 3.672 0 N-CA-C 106.495 -1.668 . . . . 25.24 106.495 179.174 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -57.61 -43.86 85.06 Favored 'General case' 0 C--O 1.26 1.613 0 N-CA-C 117.406 2.373 . . . . 46.45 117.406 174.792 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 6.7 m -68.42 -35.62 77.89 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 118.341 -2.725 . . . . 27.22 107.542 179.191 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 11.0 tp -67.49 -42.4 82.97 Favored 'General case' 0 C--O 1.259 1.605 0 C-N-CA 116.369 -2.132 . . . . 46.38 113.037 178.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' LEU . . . . . 0.709 HD11 HD13 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -61.25 -41.63 97.23 Favored 'General case' 0 CA--C 1.473 -1.985 0 N-CA-C 107.955 -1.128 . . . . 34.04 107.955 178.485 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 26' ' ' GLU . . . . . 1.021 ' HG3' ' O ' ' B' ' 43' ' ' HOH . 26.4 mm-40 -64.54 -35.74 81.95 Favored 'General case' 0 CA--C 1.565 1.531 0 CA-C-N 120.217 1.372 . . . . 52.73 110.529 177.67 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -64.38 -41.99 96.39 Favored 'General case' 0 C--O 1.294 3.414 0 N-CA-C 108.403 -0.962 . . . . 50.1 108.403 176.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 40.2 t -63.08 -53.59 44.41 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.13 0 CA-C-O 123.342 1.544 . . . . 24.01 108.606 176.297 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LYS . . . . . 1.066 ' HD3' HD11 ' A' ' 24' ' ' LEU . 16.9 ttpp -52.73 -46.4 67.39 Favored 'General case' 0 C--N 1.312 -1.051 0 O-C-N 118.817 -2.427 . . . . 52.0 113.821 177.566 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -62.79 -40.21 96.64 Favored 'General case' 0 C--O 1.193 -1.914 0 N-CA-C 106.889 -1.523 . . . . 42.71 106.889 -178.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -68.66 -28.41 66.85 Favored 'General case' 0 CA--C 1.448 -2.951 0 C-N-CA 118.426 -1.309 . . . . 49.29 111.953 -178.419 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' LEU . . . . . 0.483 ' C ' ' H ' ' B' ' 34' ' ' LYS . 11.9 mt -75.57 -45.44 37.75 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 117.458 -1.697 . . . . 50.19 111.834 178.07 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 33' ' ' GLN . . . . . 0.554 ' HB3' ' NH2' ' B' ' 36' ' ' ARG . 46.0 mt-30 -71.31 4.68 2.7 Favored 'General case' 0 CA--C 1.499 -0.998 0 C-N-CA 117.163 -1.815 . . . . 66.99 109.536 -176.268 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 34' ' ' LYS . . . . . 0.483 ' H ' ' C ' ' B' ' 32' ' ' LEU . 5.6 ttmt -93.41 -65.09 1.02 Allowed 'General case' 0 N--CA 1.433 -1.292 0 N-CA-C 105.318 -2.104 . . . . 77.87 105.318 179.912 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 4.1 ptm -71.45 30.82 0.05 OUTLIER 'General case' 0 C--O 1.237 0.403 0 N-CA-C 113.898 1.073 . . . . 82.49 113.898 -179.553 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' ARG . . . . . 0.554 ' NH2' ' HB3' ' B' ' 33' ' ' GLN . 9.0 ttm180 -115.61 34.39 4.95 Favored 'General case' 0 CA--C 1.514 -0.41 1 N-CA-C 97.313 -5.069 . . . . 101.13 97.313 176.398 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 37' ' ' GLN . . . . . 0.403 ' HB3' ' O ' ' B' ' 34' ' ' LYS . 17.8 tt0 -158.5 -51.77 0.06 Allowed 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 114.069 -1.423 . . . . 121.1 108.141 -177.534 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 8.9 mt . . . . . 0 C--O 1.246 0.883 0 N-CA-C 113.75 1.019 . . . . 96.88 113.75 -179.377 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 39' ' ' HOH . . . . . 0.864 ' O ' ' HG3' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 60' ' ' HOH . . . . . 0.643 ' O ' ' OD1' ' A' ' 30' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 64' ' ' HOH . . . . . 0.591 ' O ' ' HA ' ' A' ' 5' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 42' ' ' HOH . . . . . 0.466 ' O ' ' HE3' ' A' ' 10' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' HOH . . . . . 1.021 ' O ' ' HG3' ' B' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 65' ' ' HOH . . . . . 0.523 ' O ' ' HE3' ' B' ' 10' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.489 -1.542 1 N-CA-C 101.809 -4.516 . . . . 101.58 101.809 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -117.39 -15.78 6.35 Favored Glycine 0 N--CA 1.442 -0.965 0 CA-C-N 113.079 -1.561 . . . . 99.47 109.941 179.661 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -117.18 -170.19 1.8 Allowed 'General case' 0 C--O 1.241 0.633 0 C-N-CA 117.754 -1.579 . . . . 126.07 107.96 -179.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.591 ' HA ' ' O ' ' A' ' 64' ' ' HOH 0.251 0.0 OUTLIER -144.15 102.89 3.93 Favored 'General case' 0 C--O 1.258 1.529 0 N-CA-C 119.847 3.277 . . . . 91.68 119.847 176.935 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.99 -18.73 62.53 Favored Glycine 0 C--O 1.22 -0.726 1 N-CA-C 97.692 -6.163 . . . . 50.06 97.692 174.235 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 49.2 t -63.27 -45.66 97.71 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.043 0 CA-C-O 123.145 1.45 . . . . 40.1 112.748 176.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 8' ' ' LEU . 9.9 mt -61.72 -43.05 99.6 Favored 'General case' 0 CA--C 1.481 -1.696 0 N-CA-C 107.159 -1.422 . . . . 40.48 107.159 179.655 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -61.0 -42.67 98.9 Favored 'General case' 0 N--CA 1.431 -1.403 0 C-N-CA 116.852 -1.939 . . . . 53.45 112.438 -179.065 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.466 ' HE3' ' O ' ' B' ' 42' ' ' HOH . 6.2 tptm -63.49 -42.63 98.53 Favored 'General case' 0 C--O 1.209 -1.07 0 CA-C-O 122.467 1.127 . . . . 59.51 109.099 179.333 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.2 mt -66.56 -28.01 68.19 Favored 'General case' 0 C--O 1.262 1.723 0 O-C-N 119.206 -2.184 . . . . 35.06 110.866 -179.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.4 HH11 ' HG3' ' A' ' 12' ' ' ARG . 3.7 ttm-85 -74.36 -42.35 59.5 Favored 'General case' 0 C--O 1.181 -2.525 0 O-C-N 120.209 -1.557 . . . . 55.41 108.372 -177.686 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.39 -44.0 92.85 Favored 'General case' 0 CA--C 1.562 1.441 0 N-CA-C 108.182 -1.044 . . . . 25.77 108.182 174.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.7 t -57.23 -53.67 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 CA-C-O 123.313 1.53 . . . . 21.59 112.471 177.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -61.61 -39.74 92.33 Favored 'General case' 0 C--O 1.267 2.02 0 O-C-N 120.276 -1.515 . . . . 32.97 112.022 178.179 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -61.1 -45.07 96.23 Favored 'General case' 0 CA--C 1.583 2.215 0 C-N-CA 117.624 -1.63 . . . . 29.33 111.431 175.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -59.18 -37.63 77.86 Favored 'General case' 0 C--O 1.276 2.448 0 O-C-N 120.819 -1.176 . . . . 25.99 111.495 179.28 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.818 HD13 HD11 ' B' ' 18' ' ' LEU . 2.5 tp -67.58 -39.82 84.87 Favored 'General case' 0 C--O 1.273 2.321 0 CA-C-O 121.681 0.753 . . . . 37.25 110.976 176.272 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -65.61 -31.48 72.53 Favored 'General case' 0 C--O 1.283 2.819 0 O-C-N 119.613 -1.929 . . . . 23.02 110.85 177.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -64.56 -39.59 94.03 Favored 'General case' 0 N--CA 1.518 2.944 0 CA-C-O 124.005 1.86 . . . . 44.03 108.866 176.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.757 HD21 ' HB2' ' B' ' 22' ' ' LYS . 4.1 m120 -73.03 -36.08 66.89 Favored 'General case' 0 C--N 1.29 -2.006 0 O-C-N 118.735 -2.478 . . . . 23.09 105.886 -176.025 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -56.43 -47.51 78.92 Favored 'General case' 0 C--O 1.251 1.183 0 C-N-CA 117.709 -1.596 . . . . 52.81 114.305 174.63 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.0 m -67.82 -39.74 83.9 Favored 'General case' 0 C--O 1.277 2.524 0 N-CA-C 105.184 -2.154 . . . . 26.67 105.184 -178.34 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.066 HD11 ' HD3' ' B' ' 29' ' ' LYS . 19.3 tp -65.1 -34.11 77.63 Favored 'General case' 1 C--O 1.316 4.586 0 C-N-CA 112.221 -3.791 . . . . 44.96 114.837 -179.456 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.709 HD13 HD11 ' B' ' 25' ' ' LEU . 0.5 OUTLIER -67.42 -39.24 85.49 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 105.986 -1.857 . . . . 28.6 105.986 -179.393 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.864 ' HG3' ' O ' ' A' ' 39' ' ' HOH . 29.8 mm-40 -67.42 -35.15 78.69 Favored 'General case' 0 C--O 1.251 1.145 0 CA-C-N 120.035 1.289 . . . . 56.44 110.856 177.079 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.594 ' OE1' ' HD2' ' B' ' 29' ' ' LYS . 15.6 tt0 -65.05 -41.29 95.3 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 106.007 -1.849 . . . . 51.45 106.007 178.354 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 50.8 t -60.93 -57.89 10.03 Favored 'Isoleucine or valine' 0 N--CA 1.535 3.811 0 CA-C-O 124.133 1.92 . . . . 20.81 109.029 176.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.571 ' O ' ' HG3' ' A' ' 33' ' ' GLN . 18.2 ttpp -51.32 -42.63 61.36 Favored 'General case' 0 C--O 1.272 2.28 0 O-C-N 117.066 -3.521 . . . . 63.94 114.023 178.678 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.643 ' OD1' ' O ' ' A' ' 60' ' ' HOH . 86.5 m-20 -64.35 -42.96 95.95 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 106.601 -1.629 . . . . 54.13 106.601 -179.658 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -65.88 -25.77 67.33 Favored 'General case' 0 CA--C 1.496 -1.103 0 C-N-CA 118.352 -1.339 . . . . 51.19 113.715 179.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.516 ' C ' ' H ' ' A' ' 34' ' ' LYS . 10.5 mt -80.52 -44.12 19.61 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-O 122.637 1.208 . . . . 40.68 109.143 -179.62 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.571 ' HG3' ' O ' ' A' ' 29' ' ' LYS . 55.6 mt-30 -71.99 4.27 3.6 Favored 'General case' 0 CA--C 1.48 -1.721 0 C-N-CA 117.006 -1.878 . . . . 69.94 108.979 -175.62 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.516 ' H ' ' C ' ' A' ' 32' ' ' LEU . 5.0 tttt -93.15 -68.99 0.77 Allowed 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 105.674 -1.973 . . . . 77.33 105.674 179.521 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.2 ptm -68.13 40.44 0.03 OUTLIER 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 119.402 -0.919 . . . . 93.82 112.152 -178.932 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.998 ' HG2' ' N ' ' A' ' 37' ' ' GLN . 9.3 ttm180 -120.25 174.78 6.3 Favored 'General case' 0 CA--C 1.559 1.319 0 C-N-CA 125.304 1.441 . . . . 95.6 114.253 -179.261 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.998 ' N ' ' HG2' ' A' ' 36' ' ' ARG . 5.8 tt0 -17.0 -66.91 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.271 0 C-N-CA 127.633 2.373 . . . . 103.44 114.239 -179.639 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.794 ' HG ' ' OE1' ' A' ' 37' ' ' GLN . 9.6 mt . . . . . 0 C--O 1.248 1.014 0 N-CA-C 101.606 -3.479 . . . . 99.54 101.606 174.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.509 3.529 0 N-CA-C 118.316 2.086 . . . . 85.81 118.316 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -34.42 -108.02 0.0 OUTLIER Glycine 0 CA--C 1.541 1.708 1 N-CA-C 124.702 4.641 . . . . 85.07 124.702 -178.296 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.407 ' H ' ' HG2' ' B' ' 4' ' ' ARG . 0.4 OUTLIER -121.02 -158.95 0.78 Allowed 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 100.291 -3.966 . . . . 82.58 100.291 178.39 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.67 104.4 3.88 Favored 'General case' 0 C--O 1.269 2.111 0 N-CA-C 119.855 3.28 . . . . 85.83 119.855 175.864 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.49 -21.2 58.74 Favored Glycine 0 C--O 1.21 -1.377 1 N-CA-C 98.654 -5.778 . . . . 45.03 98.654 173.876 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 32.2 t -61.75 -42.58 94.93 Favored 'Isoleucine or valine' 0 C--O 1.257 1.451 0 N-CA-C 114.863 1.431 . . . . 41.86 114.863 176.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 11.1 mt -65.93 -40.36 91.36 Favored 'General case' 0 C--O 1.27 2.166 0 N-CA-C 105.984 -1.858 . . . . 40.34 105.984 179.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -63.45 -36.8 84.96 Favored 'General case' 0 CA--C 1.493 -1.219 0 C-N-CA 116.17 -2.212 . . . . 81.91 110.933 -178.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.523 ' HE3' ' O ' ' B' ' 65' ' ' HOH . 4.1 tptm -73.03 -37.77 66.79 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 107.82 -1.178 . . . . 64.03 107.82 -178.368 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.4 mt -69.45 -31.3 69.53 Favored 'General case' 0 C--N 1.306 -1.326 0 O-C-N 119.15 -2.219 . . . . 27.77 108.867 -179.692 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 6.1 ttm-85 -68.0 -41.39 82.31 Favored 'General case' 0 C--O 1.188 -2.174 0 O-C-N 118.615 -2.553 . . . . 59.82 109.82 -178.246 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.62 -40.65 95.6 Favored 'General case' 0 CA--C 1.493 -1.236 0 CA-C-O 123.592 1.663 . . . . 23.41 109.23 173.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 16.8 t -63.25 -48.03 89.41 Favored 'Isoleucine or valine' 0 C--O 1.257 1.494 0 O-C-N 119.865 -1.772 . . . . 25.0 112.945 -179.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -66.03 -37.31 85.55 Favored 'General case' 0 C--O 1.259 1.601 0 O-C-N 121.025 -1.047 . . . . 27.81 110.834 178.618 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -62.48 -44.08 97.26 Favored 'General case' 0 CA--C 1.6 2.892 0 C-N-CA 116.949 -1.901 . . . . 25.58 111.293 173.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -62.12 -35.67 79.46 Favored 'General case' 0 CA--C 1.484 -1.595 0 O-C-N 120.741 -1.224 . . . . 27.21 111.723 179.24 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.818 HD11 HD13 ' A' ' 18' ' ' LEU . 3.1 tp -67.22 -41.95 84.87 Favored 'General case' 0 CA--C 1.504 -0.794 0 C-N-CA 119.327 -0.949 . . . . 32.1 109.266 176.226 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -63.12 -30.89 71.95 Favored 'General case' 0 C--O 1.274 2.373 0 CA-C-N 119.884 1.22 . . . . 26.2 109.655 179.561 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -67.91 -43.36 79.41 Favored 'General case' 0 N--CA 1.517 2.885 0 C-N-CA 117.841 -1.544 . . . . 39.0 108.191 178.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -65.98 -37.53 86.2 Favored 'General case' 0 N--CA 1.532 3.672 0 N-CA-C 106.495 -1.668 . . . . 25.24 106.495 179.174 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.757 ' HB2' HD21 ' A' ' 21' ' ' ASN . 25.7 tttp -57.61 -43.86 85.06 Favored 'General case' 0 C--O 1.26 1.613 0 N-CA-C 117.406 2.373 . . . . 46.45 117.406 174.792 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 6.7 m -68.42 -35.62 77.89 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 118.341 -2.725 . . . . 27.22 107.542 179.191 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 11.0 tp -67.49 -42.4 82.97 Favored 'General case' 0 C--O 1.259 1.605 0 C-N-CA 116.369 -2.132 . . . . 46.38 113.037 178.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.709 HD11 HD13 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -61.25 -41.63 97.23 Favored 'General case' 0 CA--C 1.473 -1.985 0 N-CA-C 107.955 -1.128 . . . . 34.04 107.955 178.485 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' GLU . . . . . 1.021 ' HG3' ' O ' ' B' ' 43' ' ' HOH . 26.4 mm-40 -64.54 -35.74 81.95 Favored 'General case' 0 CA--C 1.565 1.531 0 CA-C-N 120.217 1.372 . . . . 52.73 110.529 177.67 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -64.38 -41.99 96.39 Favored 'General case' 0 C--O 1.294 3.414 0 N-CA-C 108.403 -0.962 . . . . 50.1 108.403 176.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 40.2 t -63.08 -53.59 44.41 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.13 0 CA-C-O 123.342 1.544 . . . . 24.01 108.606 176.297 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LYS . . . . . 1.066 ' HD3' HD11 ' A' ' 24' ' ' LEU . 16.9 ttpp -52.73 -46.4 67.39 Favored 'General case' 0 C--N 1.312 -1.051 0 O-C-N 118.817 -2.427 . . . . 52.0 113.821 177.566 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -62.79 -40.21 96.64 Favored 'General case' 0 C--O 1.193 -1.914 0 N-CA-C 106.889 -1.523 . . . . 42.71 106.889 -178.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -68.66 -28.41 66.85 Favored 'General case' 0 CA--C 1.448 -2.951 0 C-N-CA 118.426 -1.309 . . . . 49.29 111.953 -178.419 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.483 ' C ' ' H ' ' B' ' 34' ' ' LYS . 11.9 mt -75.57 -45.44 37.75 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 117.458 -1.697 . . . . 50.19 111.834 178.07 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.554 ' HB3' ' NH2' ' B' ' 36' ' ' ARG . 46.0 mt-30 -71.31 4.68 2.7 Favored 'General case' 0 CA--C 1.499 -0.998 0 C-N-CA 117.163 -1.815 . . . . 66.99 109.536 -176.268 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.483 ' H ' ' C ' ' B' ' 32' ' ' LEU . 5.6 ttmt -93.41 -65.09 1.02 Allowed 'General case' 0 N--CA 1.433 -1.292 0 N-CA-C 105.318 -2.104 . . . . 77.87 105.318 179.912 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 4.1 ptm -71.45 30.82 0.05 OUTLIER 'General case' 0 C--O 1.237 0.403 0 N-CA-C 113.898 1.073 . . . . 82.49 113.898 -179.553 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.554 ' NH2' ' HB3' ' B' ' 33' ' ' GLN . 9.0 ttm180 -115.61 34.39 4.95 Favored 'General case' 0 CA--C 1.514 -0.41 1 N-CA-C 97.313 -5.069 . . . . 101.13 97.313 176.398 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' GLN . . . . . 0.403 ' HB3' ' O ' ' B' ' 34' ' ' LYS . 17.8 tt0 -158.5 -51.77 0.06 Allowed 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 114.069 -1.423 . . . . 121.1 108.141 -177.534 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 8.9 mt . . . . . 0 C--O 1.246 0.883 0 N-CA-C 113.75 1.019 . . . . 96.88 113.75 -179.377 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' HOH . . . . . 0.864 ' O ' ' HG3' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' HOH . . . . . 0.643 ' O ' ' OD1' ' A' ' 30' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' HOH . . . . . 0.591 ' O ' ' HA ' ' A' ' 5' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' HOH . . . . . 0.466 ' O ' ' HE3' ' A' ' 10' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' HOH . . . . . 1.021 ' O ' ' HG3' ' B' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' HOH . . . . . 0.523 ' O ' ' HE3' ' B' ' 10' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_