data_1cri_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 1cri _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 . . . . . . . . . . . . . 2.9 t . . . . . 0 CA--C 1.514 -0.421 0 CA-C-O 125.354 2.502 . . . . 59.28 111.393 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -146.42 16.87 1.32 Allowed 'General case' 0 C--N 1.297 -1.702 1 C-N-CA 135.902 5.681 . . . . 62.07 104.251 177.696 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' -3' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -123.45 118.77 28.18 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 111.18 -2.736 . . . . 53.03 106.069 178.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.83 134.55 44.84 Favored 'General case' 0 C--O 1.249 1.078 1 O-C-N 130.018 4.574 . . . . 44.83 109.735 -179.541 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -62.85 131.23 48.08 Favored 'General case' 0 C--O 1.266 1.969 0 O-C-N 125.886 1.991 . . . . 36.39 107.088 179.408 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -106.62 -147.31 14.29 Favored Glycine 0 C--O 1.219 -0.835 0 N-CA-C 106.565 -2.614 . . . . 30.33 106.565 -179.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -103.54 116.93 33.29 Favored 'General case' 0 C--O 1.196 -1.743 0 C-N-CA 128.26 2.624 . . . . 25.55 108.11 -179.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.61 -31.23 71.12 Favored 'General case' 0 C--N 1.37 1.489 0 CA-C-N 111.23 -2.714 . . . . 19.53 113.02 178.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -71.2 -43.72 66.84 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 119.836 -1.79 . . . . 37.91 107.788 -178.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -62.55 -39.5 93.81 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 126.267 2.229 . . . . 31.71 107.064 178.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.68 -37.63 90.02 Favored Glycine 0 C--N 1.365 2.147 0 O-C-N 128.466 3.604 . . . . 16.74 116.356 178.181 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.97 -41.44 95.44 Favored 'General case' 0 C--O 1.262 1.745 0 O-C-N 120.191 -1.77 . . . . 16.42 111.393 -178.799 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.309 30.3 p -75.34 -20.01 59.29 Favored 'General case' 0 N--CA 1.509 2.504 0 O-C-N 126.089 2.118 . . . . 17.72 113.663 -179.842 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . 0.506 ' O ' ' N ' ' A' ' 13' ' ' ARG . 3.5 mp -71.19 -47.75 55.68 Favored 'General case' 0 C--N 1.289 -2.039 0 CA-C-O 127.949 3.738 . . . . 29.7 106.809 175.954 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -53.89 -56.11 20.67 Favored 'General case' 0 N--CA 1.512 2.636 0 CA-C-N 109.7 -3.409 . . . . 18.26 108.08 177.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -51.83 -48.26 64.01 Favored 'General case' 0 N--CA 1.531 3.597 0 CA-C-O 126.263 2.935 . . . . 30.22 113.608 179.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.3 p -84.49 -26.13 28.36 Favored 'General case' 0 C--O 1.262 1.72 0 CA-C-O 112.994 -3.384 . . . . 20.25 115.641 -178.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 9' ' ' LEU . 3.4 mmm180 -111.02 -18.74 12.98 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-N 123.919 3.054 . . . . 53.45 114.585 179.065 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.9 m -123.37 -18.77 6.13 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 119.331 3.086 . . . . 15.84 119.331 -177.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.1 tp -58.36 -34.23 70.44 Favored 'General case' 0 C--O 1.258 1.545 0 O-C-N 126.468 2.355 . . . . 18.73 113.738 -178.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -53.54 -34.19 57.31 Favored 'General case' 0 C--O 1.278 2.574 0 CA-C-O 113.658 -3.068 . . . . 17.39 111.706 175.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 59.5 m -115.46 -9.7 12.06 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 114.96 -2.696 . . . . 18.18 118.186 -179.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -135.51 153.61 51.67 Favored 'General case' 0 CA--C 1.495 -1.159 1 N-CA-C 122.207 4.151 . . . . 16.73 122.207 -179.421 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 81.8 p -113.73 154.54 27.16 Favored 'General case' 0 N--CA 1.499 1.988 0 CA-C-N 111.721 -2.491 . . . . 17.91 105.959 173.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.2 m -116.37 -8.17 12.15 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.738 0 C-N-CA 118.635 -1.226 . . . . 20.03 110.8 179.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.4 pm0 -79.98 155.11 27.81 Favored 'General case' 0 C--O 1.19 -2.07 0 C-N-CA 113.614 -3.234 . . . . 27.47 115.178 -173.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.21 113.96 3.49 Favored 'General case' 0 C--O 1.267 2.004 0 CA-C-N 112.089 -2.323 . . . . 36.9 105.414 175.344 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.1 4.29 69.04 Favored Glycine 0 C--O 1.264 2.013 0 O-C-N 117.743 -3.098 . . . . 22.42 111.223 -179.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.14 158.45 53.35 Favored Glycine 0 N--CA 1.514 3.861 0 CA-C-O 126.716 3.398 . . . . 20.33 106.901 179.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -90.09 165.63 4.71 Favored 'Trans proline' 0 C--O 1.269 2.045 0 O-C-N 116.675 -2.329 . . . . 15.35 110.006 -177.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' HIS . . . . . 0.521 ' ND1' ' N ' ' A' ' 31' ' ' ASN . 51.0 m-70 -85.19 148.35 26.14 Favored 'General case' 0 CA--C 1.57 1.726 0 N-CA-C 101.267 -3.605 . . . . 15.1 101.267 171.583 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -129.8 -131.64 0.21 Allowed 'General case' 0 C--O 1.276 2.452 0 N-CA-C 103.214 -2.884 . . . . 26.2 103.214 177.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 78.0 t -58.07 -48.35 84.58 Favored 'Isoleucine or valine' 0 C--O 1.254 1.31 0 N-CA-C 103.58 -2.748 . . . . 17.93 103.58 176.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.51 159.32 16.95 Favored Glycine 0 N--CA 1.476 1.313 1 O-C-N 131.421 5.451 . . . . 14.26 111.474 178.648 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -76.21 164.03 31.77 Favored 'Trans proline' 0 N--CA 1.45 -1.05 0 CA-C-O 115.334 -2.028 . . . . 12.99 110.391 -177.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ASN . . . . . 0.521 ' N ' ' ND1' ' A' ' 26' ' ' HIS . 14.2 t-20 -65.85 142.54 57.89 Favored 'General case' 0 C--O 1.263 1.808 0 O-C-N 128.673 3.733 . . . . 16.58 109.267 173.912 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.2 mt -100.58 6.85 44.26 Favored 'General case' 0 C--O 1.267 2.001 0 CA-C-N 120.581 1.537 . . . . 20.68 112.439 -179.056 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -58.84 129.08 40.43 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 121.407 1.912 . . . . 25.37 107.896 179.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 68.27 30.72 73.7 Favored Glycine 0 N--CA 1.434 -1.48 0 C-N-CA 128.114 2.769 . . . . 20.66 119.548 -179.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.8 tp -72.74 -28.89 28.39 Favored 'Isoleucine or valine' 0 C--O 1.282 2.813 0 CA-C-O 116.116 -1.897 . . . . 24.81 115.121 -178.151 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -68.91 138.79 54.93 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 120.323 1.42 . . . . 31.06 109.805 -179.226 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.15 4.3 63.05 Favored Glycine 0 C--O 1.251 1.206 0 C-N-CA 127.336 2.398 . . . . 30.94 111.648 -178.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 27.6 ttp180 -104.52 141.61 36.09 Favored 'General case' 0 C--O 1.253 1.278 0 C-N-CA 128.51 2.724 . . . . 37.92 107.07 178.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -81.99 158.28 23.91 Favored 'General case' 0 CA--C 1.567 1.605 0 N-CA-C 104.163 -2.532 . . . . 29.25 104.163 178.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 95.3 p -72.12 159.08 34.75 Favored 'General case' 0 C--O 1.254 1.336 0 O-C-N 126.455 2.347 . . . . 22.18 114.125 -178.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.29 29.39 70.27 Favored Glycine 0 C--N 1.266 -3.353 0 C-N-CA 130.215 3.769 . . . . 24.77 110.785 178.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . 0.344 0.0 OUTLIER -114.33 -1.88 13.44 Favored 'General case' 0 C--O 1.277 2.516 0 N-CA-C 121.452 3.871 . . . . 45.09 121.452 -175.398 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.92 137.88 56.87 Favored 'General case' 0 C--O 1.271 2.196 0 N-CA-C 106.578 -1.638 . . . . 22.66 106.578 175.16 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.494 7.7 pt-20 -84.05 145.7 28.34 Favored 'General case' 0 C--O 1.266 1.964 0 CA-C-O 127.855 3.693 . . . . 49.68 114.67 179.09 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.37 29.66 63.74 Favored Glycine 0 C--N 1.375 2.706 0 CA-C-N 111.03 -2.804 . . . . 20.64 112.691 -177.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -128.28 131.29 48.72 Favored 'General case' 0 CA--C 1.558 1.281 0 CA-C-O 125.47 2.557 . . . . 19.81 111.25 176.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . 0.296 43.1 t -86.03 87.85 7.49 Favored 'General case' 0 C--O 1.288 3.116 0 CA-C-O 127.797 3.665 . . . . 34.12 112.712 -179.725 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -80.2 169.64 17.52 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 117.735 -3.103 . . . . 21.46 111.219 -179.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 38.5 p -76.73 165.47 24.69 Favored 'General case' 0 CA--C 1.572 1.81 0 N-CA-C 104.033 -2.58 . . . . 20.26 104.033 176.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -65.38 -42.17 92.95 Favored 'General case' 0 C--O 1.194 -1.819 0 N-CA-C 104.243 -2.503 . . . . 28.37 104.243 173.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -45.91 -60.33 2.31 Favored 'General case' 0 C--O 1.264 1.823 0 O-C-N 126.677 2.486 . . . . 22.45 116.195 -179.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.2 tt -66.98 -31.87 55.41 Favored 'Isoleucine or valine' 0 C--O 1.264 1.864 0 O-C-N 125.594 1.809 . . . . 20.24 112.781 -179.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.1 mt -58.83 -57.2 12.23 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 O-C-N 124.506 1.129 . . . . 21.01 113.235 -179.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LYS . . . . . 0.417 ' NZ ' ' O ' ' A' ' 300' ' ' HOH . 7.1 mmtt -61.95 -36.17 80.62 Favored 'General case' 0 N--CA 1.436 -1.155 1 O-C-N 130.365 4.791 . . . . 22.91 113.92 -178.774 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LYS . . . . . 0.404 ' CG ' ' CG2' ' A' ' 57' ' ' VAL . 0.8 OUTLIER -52.22 -39.89 60.84 Favored 'General case' 0 C--N 1.284 -2.278 0 O-C-N 126.528 2.393 . . . . 30.73 108.28 -179.902 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 53.86 29.4 9.76 Favored 'General case' 0 C--O 1.25 1.093 0 O-C-N 119.108 -2.245 . . . . 28.98 116.596 176.613 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' VAL . . . . . 0.404 ' CG2' ' CG ' ' A' ' 55' ' ' LYS 0.332 76.9 t -55.46 137.5 16.8 Favored 'Isoleucine or valine' 0 C--O 1.251 1.159 0 CA-C-O 119.044 -0.503 . . . . 31.51 111.05 177.25 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -96.39 115.96 28.28 Favored 'General case' 0 CA--C 1.572 1.825 0 N-CA-C 100.845 -3.761 . . . . 32.32 100.845 173.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 46.0 m95 -70.75 113.74 8.14 Favored 'General case' 0 C--O 1.206 -1.227 0 O-C-N 128.459 3.599 . . . . 27.92 117.181 -176.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . 0.279 17.1 p30 -132.96 172.86 12.06 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 104.216 -2.513 . . . . 33.49 104.216 176.627 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -55.97 -29.81 60.79 Favored 'General case' 0 C--N 1.292 -1.892 0 O-C-N 127.335 2.897 . . . . 41.34 113.795 -177.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -83.16 -35.42 25.53 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-N 112.875 -1.966 . . . . 38.16 114.121 -176.349 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -70.0 -48.16 59.26 Favored 'General case' 0 C--N 1.279 -2.467 0 C-N-CA 127.258 2.223 . . . . 32.71 107.891 178.594 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 33.1 tpp -56.51 -45.72 80.91 Favored 'General case' 0 N--CA 1.476 0.845 1 CA-C-N 107.545 -4.388 . . . . 23.0 110.331 -179.985 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.0 t -59.17 -39.32 82.13 Favored 'General case' 0 C--O 1.255 1.387 0 C-N-CA 126.031 1.732 . . . . 22.47 112.46 179.749 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.253 3.6 tp10 -71.36 -37.34 71.65 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-O 128.309 3.909 . . . . 51.65 110.544 178.068 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -65.5 -43.47 90.05 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 118.051 -2.906 . . . . 23.36 111.155 -177.296 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 66.5 mt -66.57 -27.48 67.76 Favored 'General case' 0 C--N 1.317 -0.841 0 O-C-N 127.662 3.101 . . . . 19.45 111.899 -178.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 77.3 m -55.5 -49.22 73.14 Favored 'General case' 0 C--N 1.361 1.07 0 O-C-N 127.773 3.171 . . . . 20.91 108.403 178.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -164.12 102.53 0.89 Allowed Pre-proline 0 C--O 1.265 1.891 0 O-C-N 127.156 2.785 . . . . 27.05 110.023 -178.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . 0.262 69.5 Cg_exo -65.08 -45.68 7.37 Favored 'Trans proline' 1 C--O 1.309 4.03 0 C-N-CA 123.239 2.626 . . . . 20.99 116.085 -177.37 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' M3L . . . . . . . . . . . . 0.344 . . . . . . . 0 N--CA 1.493 1.676 0 C-N-CA 116.582 -2.047 . . . . 23.96 114.435 179.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LYS . . . . . 0.564 ' NZ ' ' O ' ' A' ' 304' ' ' HOH 0.309 10.7 tptt -70.94 -41.7 70.78 Favored 'General case' 0 C--O 1.258 1.532 0 C-N-CA 125.906 1.682 . . . . 25.23 106.898 178.236 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -73.92 -38.76 64.2 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 126.686 1.994 . . . . 27.71 114.351 178.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 13.6 mt -137.97 79.3 33.2 Favored Pre-proline 0 N--CA 1.507 2.406 0 CA-C-O 124.242 1.972 . . . . 26.34 108.993 -178.891 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -57.97 136.91 78.12 Favored 'Trans proline' 0 N--CA 1.491 1.363 0 N-CA-C 104.812 -2.803 . . . . 21.17 104.812 -178.489 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.3 -25.84 14.84 Favored Glycine 0 CA--C 1.554 2.489 0 CA-C-O 117.444 -1.753 . . . . 19.43 110.226 -179.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.5 t -58.43 142.4 48.68 Favored 'General case' 0 C--O 1.262 1.718 0 N-CA-C 115.867 1.802 . . . . 18.38 115.867 -179.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.9 pttt -90.44 -3.6 57.56 Favored 'General case' 0 C--O 1.266 1.939 0 CA-C-O 117.122 -1.418 . . . . 17.02 109.46 177.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 12.8 ttt -60.81 122.05 13.84 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 114.429 -2.909 . . . . 15.29 107.843 178.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -96.53 79.65 3.07 Favored 'General case' 0 N--CA 1.498 1.958 0 C-N-CA 118.533 -1.267 . . . . 19.13 112.176 178.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -142.64 124.9 15.48 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 107.142 -1.429 . . . . 20.09 107.142 179.016 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -66.22 -31.01 77.88 Favored Glycine 0 C--N 1.307 -1.041 0 O-C-N 125.345 1.653 . . . . 20.0 113.551 -178.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.6 162.22 13.3 Favored Glycine 0 N--CA 1.481 1.681 0 CA-C-O 123.85 1.805 . . . . 21.7 117.455 178.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 16.4 mt -107.41 100.26 9.71 Favored 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 126.743 2.017 . . . . 21.03 107.07 -179.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -72.67 -28.43 62.7 Favored 'General case' 0 C--O 1.272 2.289 0 N-CA-C 119.364 3.098 . . . . 33.66 119.364 -178.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.5 mttp -88.77 131.36 35.09 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-N 120.299 1.409 . . . . 41.8 110.654 -179.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 63.3 tt0 -61.16 -40.09 92.57 Favored 'General case' 0 N--CA 1.436 -1.17 0 C-N-CA 123.53 0.732 . . . . 35.09 111.223 -179.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . 0.356 9.9 pttt -58.52 -46.78 86.05 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 126.701 2.501 . . . . 41.96 109.627 -177.973 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -62.13 -43.0 99.78 Favored 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 126.981 2.113 . . . . 25.96 109.913 178.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 84.9 mtm-85 -66.76 -37.69 85.12 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 124.799 1.312 . . . . 19.03 111.295 178.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -65.45 -44.37 87.46 Favored 'General case' 0 C--O 1.262 1.732 0 CA-C-O 121.418 0.628 . . . . 21.17 109.779 179.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -57.28 -59.44 5.12 Favored 'General case' 0 C--O 1.269 2.111 0 C-N-CA 115.412 -2.515 . . . . 21.46 110.496 179.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . 0.311 35.6 tp -52.97 -42.56 65.64 Favored 'General case' 0 N--CA 1.431 -1.387 0 CA-C-O 114.06 -2.876 . . . . 17.66 110.971 -177.876 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 10.1 mt -69.88 -33.53 56.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 1 O-C-N 129.218 4.074 . . . . 21.27 109.039 178.719 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' THR . . . . . 0.541 ' O ' ' NZ ' ' A' ' 99' ' ' LYS . 32.4 m -60.34 -39.58 87.62 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 118.791 -1.164 . . . . 31.64 108.884 -179.527 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -66.4 -47.47 73.19 Favored 'General case' 0 C--O 1.279 2.654 0 C-N-CA 126.971 2.108 . . . . 23.15 113.325 178.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . 0.289 17.4 mt -63.47 -45.57 90.18 Favored 'General case' 0 C--O 1.255 1.368 0 CA-C-O 117.103 -1.427 . . . . 29.68 108.837 -179.172 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' LYS . . . . . 0.541 ' NZ ' ' O ' ' A' ' 96' ' ' THR . 1.0 OUTLIER -46.44 -46.59 18.89 Favored 'General case' 0 C--O 1.293 3.372 0 CA-C-O 126.765 3.174 . . . . 37.6 111.645 176.046 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -79.66 -43.77 22.16 Favored 'General case' 0 C--N 1.311 -1.082 0 O-C-N 117.217 -3.427 . . . . 45.43 114.803 -179.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . 0.29 . . -73.86 -34.65 64.57 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 126.796 2.56 . . . . 19.76 112.766 -174.644 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 57.1 p -88.65 1.88 54.23 Favored 'General case' 0 C--N 1.294 -1.834 0 C-N-CA 116.424 -2.11 . . . . 21.63 113.03 178.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 . . . . . 0 C--O 1.252 1.228 0 C-N-CA 118.136 -1.426 . . . . 46.34 111.795 -179.625 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' 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 ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' 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 ' 154' ' ' 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 ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 195' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 196' ' ' 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 ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 300' ' ' HOH . . . . . 0.417 ' O ' ' NZ ' ' A' ' 54' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 0.564 ' O ' ' NZ ' ' A' ' 73' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' -5' ' ' THR . . . . . . . . . . . . . 2.9 t . . . . . 0 CA--C 1.514 -0.421 0 CA-C-O 125.354 2.502 . . . . 59.28 111.393 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' -4' ' ' GLU . . . . . 0.521 ' HB3' ' O ' ' A' ' 214' ' ' HOH . 10.9 mt-10 -146.42 16.87 1.32 Allowed 'General case' 0 C--N 1.297 -1.702 1 C-N-CA 135.902 5.681 . . . . 62.07 104.251 177.696 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' -3' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -123.45 118.77 28.18 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 111.18 -2.736 . . . . 53.03 106.069 178.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.83 134.55 44.84 Favored 'General case' 0 C--O 1.249 1.078 1 O-C-N 130.018 4.574 . . . . 44.83 109.735 -179.541 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -62.85 131.23 48.08 Favored 'General case' 0 C--O 1.266 1.969 0 O-C-N 125.886 1.991 . . . . 36.39 107.088 179.408 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -106.62 -147.31 14.29 Favored Glycine 0 C--O 1.219 -0.835 0 N-CA-C 106.565 -2.614 . . . . 30.33 106.565 -179.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -103.54 116.93 33.29 Favored 'General case' 0 C--O 1.196 -1.743 0 C-N-CA 128.26 2.624 . . . . 25.55 108.11 -179.159 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.61 -31.23 71.12 Favored 'General case' 0 C--N 1.37 1.489 0 CA-C-N 111.23 -2.714 . . . . 19.53 113.02 178.211 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LYS . . . . . 0.465 ' HG3' ' O1 ' ' A' ' 117' ' ' SO4 . 4.6 mttt -71.2 -43.72 66.84 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 119.836 -1.79 . . . . 37.91 107.788 -178.036 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -62.55 -39.5 93.81 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 126.267 2.229 . . . . 31.71 107.064 178.757 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.68 -37.63 90.02 Favored Glycine 0 C--N 1.365 2.147 0 O-C-N 128.466 3.604 . . . . 16.74 116.356 178.181 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.97 -41.44 95.44 Favored 'General case' 0 C--O 1.262 1.745 0 O-C-N 120.191 -1.77 . . . . 16.42 111.393 -178.799 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.309 30.3 p -75.34 -20.01 59.29 Favored 'General case' 0 N--CA 1.509 2.504 0 O-C-N 126.089 2.118 . . . . 17.72 113.663 -179.842 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 mp -71.19 -47.75 55.68 Favored 'General case' 0 C--N 1.289 -2.039 0 CA-C-O 127.949 3.738 . . . . 29.7 106.809 175.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' PHE . . . . . 0.427 ' CE2' ' HB2' ' A' ' 14' ' ' CYS . 49.7 t80 -53.89 -56.11 20.67 Favored 'General case' 0 N--CA 1.512 2.636 0 CA-C-N 109.7 -3.409 . . . . 18.26 108.08 177.09 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -51.83 -48.26 64.01 Favored 'General case' 0 N--CA 1.531 3.597 0 CA-C-O 126.263 2.935 . . . . 30.22 113.608 179.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.3 p -84.49 -26.13 28.36 Favored 'General case' 0 C--O 1.262 1.72 0 CA-C-O 112.994 -3.384 . . . . 20.25 115.641 -178.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 mmm180 -111.02 -18.74 12.98 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-N 123.919 3.054 . . . . 53.45 114.585 179.065 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' CYS . . . . . 0.427 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 2.9 m -123.37 -18.77 6.13 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 119.331 3.086 . . . . 15.84 119.331 -177.841 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.1 tp -58.36 -34.23 70.44 Favored 'General case' 0 C--O 1.258 1.545 0 O-C-N 126.468 2.355 . . . . 18.73 113.738 -178.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -53.54 -34.19 57.31 Favored 'General case' 0 C--O 1.278 2.574 0 CA-C-O 113.658 -3.068 . . . . 17.39 111.706 175.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 59.5 m -115.46 -9.7 12.06 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 114.96 -2.696 . . . . 18.18 118.186 -179.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' HIS . . . . . 0.511 ' HE1' ' HD2' ' A' ' 30' ' ' PRO . 91.3 m-70 -135.51 153.61 51.67 Favored 'General case' 0 CA--C 1.495 -1.159 1 N-CA-C 122.207 4.151 . . . . 16.73 122.207 -179.421 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 81.8 p -113.73 154.54 27.16 Favored 'General case' 0 N--CA 1.499 1.988 0 CA-C-N 111.721 -2.491 . . . . 17.91 105.959 173.958 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.2 m -116.37 -8.17 12.15 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.738 0 C-N-CA 118.635 -1.226 . . . . 20.03 110.8 179.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.4 pm0 -79.98 155.11 27.81 Favored 'General case' 0 C--O 1.19 -2.07 0 C-N-CA 113.614 -3.234 . . . . 27.47 115.178 -173.507 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . 0.643 ' HE3' ' O ' ' A' ' 303' ' ' HOH . 0.5 OUTLIER -63.21 113.96 3.49 Favored 'General case' 0 C--O 1.267 2.004 0 CA-C-N 112.089 -2.323 . . . . 36.9 105.414 175.344 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.1 4.29 69.04 Favored Glycine 0 C--O 1.264 2.013 0 O-C-N 117.743 -3.098 . . . . 22.42 111.223 -179.596 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.14 158.45 53.35 Favored Glycine 0 N--CA 1.514 3.861 0 CA-C-O 126.716 3.398 . . . . 20.33 106.901 179.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -90.09 165.63 4.71 Favored 'Trans proline' 0 C--O 1.269 2.045 0 O-C-N 116.675 -2.329 . . . . 15.35 110.006 -177.421 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -85.19 148.35 26.14 Favored 'General case' 0 CA--C 1.57 1.726 0 N-CA-C 101.267 -3.605 . . . . 15.1 101.267 171.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -129.8 -131.64 0.21 Allowed 'General case' 0 C--O 1.276 2.452 0 N-CA-C 103.214 -2.884 . . . . 26.2 103.214 177.654 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 78.0 t -58.07 -48.35 84.58 Favored 'Isoleucine or valine' 0 C--O 1.254 1.31 0 N-CA-C 103.58 -2.748 . . . . 17.93 103.58 176.587 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.51 159.32 16.95 Favored Glycine 0 N--CA 1.476 1.313 1 O-C-N 131.421 5.451 . . . . 14.26 111.474 178.648 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' PRO . . . . . 0.511 ' HD2' ' HE1' ' A' ' 18' ' ' HIS . 11.0 Cg_endo -76.21 164.03 31.77 Favored 'Trans proline' 0 N--CA 1.45 -1.05 0 CA-C-O 115.334 -2.028 . . . . 12.99 110.391 -177.856 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -65.85 142.54 57.89 Favored 'General case' 0 C--O 1.263 1.808 0 O-C-N 128.673 3.733 . . . . 16.58 109.267 173.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.2 mt -100.58 6.85 44.26 Favored 'General case' 0 C--O 1.267 2.001 0 CA-C-N 120.581 1.537 . . . . 20.68 112.439 -179.056 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -58.84 129.08 40.43 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 121.407 1.912 . . . . 25.37 107.896 179.381 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . 0.547 ' HA2' ' O ' ' A' ' 196' ' ' HOH . . . 68.27 30.72 73.7 Favored Glycine 0 N--CA 1.434 -1.48 0 C-N-CA 128.114 2.769 . . . . 20.66 119.548 -179.202 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.8 tp -72.74 -28.89 28.39 Favored 'Isoleucine or valine' 0 C--O 1.282 2.813 0 CA-C-O 116.116 -1.897 . . . . 24.81 115.121 -178.151 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -68.91 138.79 54.93 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 120.323 1.42 . . . . 31.06 109.805 -179.226 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.15 4.3 63.05 Favored Glycine 0 C--O 1.251 1.206 0 C-N-CA 127.336 2.398 . . . . 30.94 111.648 -178.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 27.6 ttp180 -104.52 141.61 36.09 Favored 'General case' 0 C--O 1.253 1.278 0 C-N-CA 128.51 2.724 . . . . 37.92 107.07 178.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' HIS . . . . . 0.515 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 69.1 m-70 -81.99 158.28 23.91 Favored 'General case' 0 CA--C 1.567 1.605 0 N-CA-C 104.163 -2.532 . . . . 29.25 104.163 178.015 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 95.3 p -72.12 159.08 34.75 Favored 'General case' 0 C--O 1.254 1.336 0 O-C-N 126.455 2.347 . . . . 22.18 114.125 -178.208 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.29 29.39 70.27 Favored Glycine 0 C--N 1.266 -3.353 0 C-N-CA 130.215 3.769 . . . . 24.77 110.785 178.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . 0.344 0.0 OUTLIER -114.33 -1.88 13.44 Favored 'General case' 0 C--O 1.277 2.516 0 N-CA-C 121.452 3.871 . . . . 45.09 121.452 -175.398 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.92 137.88 56.87 Favored 'General case' 0 C--O 1.271 2.196 0 N-CA-C 106.578 -1.638 . . . . 22.66 106.578 175.16 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.494 7.7 pt-20 -84.05 145.7 28.34 Favored 'General case' 0 C--O 1.266 1.964 0 CA-C-O 127.855 3.693 . . . . 49.68 114.67 179.09 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.37 29.66 63.74 Favored Glycine 0 C--N 1.375 2.706 0 CA-C-N 111.03 -2.804 . . . . 20.64 112.691 -177.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -128.28 131.29 48.72 Favored 'General case' 0 CA--C 1.558 1.281 0 CA-C-O 125.47 2.557 . . . . 19.81 111.25 176.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . 0.296 43.1 t -86.03 87.85 7.49 Favored 'General case' 0 C--O 1.288 3.116 0 CA-C-O 127.797 3.665 . . . . 34.12 112.712 -179.725 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' TYR . . . . . 0.418 ' HB3' ' CG2' ' A' ' 52' ' ' ILE . 89.3 m-85 -80.2 169.64 17.52 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 117.735 -3.103 . . . . 21.46 111.219 -179.515 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' THR . . . . . 0.552 HG23 ' HG2' ' A' ' 79' ' ' LYS . 38.5 p -76.73 165.47 24.69 Favored 'General case' 0 CA--C 1.572 1.81 0 N-CA-C 104.033 -2.58 . . . . 20.26 104.033 176.915 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -65.38 -42.17 92.95 Favored 'General case' 0 C--O 1.194 -1.819 0 N-CA-C 104.243 -2.503 . . . . 28.37 104.243 173.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -45.91 -60.33 2.31 Favored 'General case' 0 C--O 1.264 1.823 0 O-C-N 126.677 2.486 . . . . 22.45 116.195 -179.336 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ILE . . . . . 0.418 ' CG2' ' HB3' ' A' ' 48' ' ' TYR . 6.2 tt -66.98 -31.87 55.41 Favored 'Isoleucine or valine' 0 C--O 1.264 1.864 0 O-C-N 125.594 1.809 . . . . 20.24 112.781 -179.567 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.1 mt -58.83 -57.2 12.23 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 O-C-N 124.506 1.129 . . . . 21.01 113.235 -179.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -61.95 -36.17 80.62 Favored 'General case' 0 N--CA 1.436 -1.155 1 O-C-N 130.365 4.791 . . . . 22.91 113.92 -178.774 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LYS . . . . . 1.032 ' HG3' HG23 ' A' ' 57' ' ' VAL . 0.8 OUTLIER -52.22 -39.89 60.84 Favored 'General case' 0 C--N 1.284 -2.278 0 O-C-N 126.528 2.393 . . . . 30.73 108.28 -179.902 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 46.5 t30 53.86 29.4 9.76 Favored 'General case' 0 C--O 1.25 1.093 0 O-C-N 119.108 -2.245 . . . . 28.98 116.596 176.613 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' VAL . . . . . 1.032 HG23 ' HG3' ' A' ' 55' ' ' LYS 0.332 76.9 t -55.46 137.5 16.8 Favored 'Isoleucine or valine' 0 C--O 1.251 1.159 0 CA-C-O 119.044 -0.503 . . . . 31.51 111.05 177.25 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -96.39 115.96 28.28 Favored 'General case' 0 CA--C 1.572 1.825 0 N-CA-C 100.845 -3.761 . . . . 32.32 100.845 173.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 46.0 m95 -70.75 113.74 8.14 Favored 'General case' 0 C--O 1.206 -1.227 0 O-C-N 128.459 3.599 . . . . 27.92 117.181 -176.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . 0.279 17.1 p30 -132.96 172.86 12.06 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 104.216 -2.513 . . . . 33.49 104.216 176.627 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLU . . . . . 0.691 ' HG3' ' OD1' ' A' ' 62' ' ' ASN . 23.7 pt-20 -55.97 -29.81 60.79 Favored 'General case' 0 C--N 1.292 -1.892 0 O-C-N 127.335 2.897 . . . . 41.34 113.795 -177.488 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ASN . . . . . 0.691 ' OD1' ' HG3' ' A' ' 61' ' ' GLU . 35.6 m-20 -83.16 -35.42 25.53 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-N 112.875 -1.966 . . . . 38.16 114.121 -176.349 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ASN . . . . . 0.66 ' OD1' HG13 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -70.0 -48.16 59.26 Favored 'General case' 0 C--N 1.279 -2.467 0 C-N-CA 127.258 2.223 . . . . 32.71 107.891 178.594 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 33.1 tpp -56.51 -45.72 80.91 Favored 'General case' 0 N--CA 1.476 0.845 1 CA-C-N 107.545 -4.388 . . . . 23.0 110.331 -179.985 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.0 t -59.17 -39.32 82.13 Favored 'General case' 0 C--O 1.255 1.387 0 C-N-CA 126.031 1.732 . . . . 22.47 112.46 179.749 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.253 3.6 tp10 -71.36 -37.34 71.65 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-O 128.309 3.909 . . . . 51.65 110.544 178.068 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' PHE . . . . . 0.453 ' O ' ' HG3' ' A' ' 71' ' ' PRO . 36.9 t80 -65.5 -43.47 90.05 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 118.051 -2.906 . . . . 23.36 111.155 -177.296 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 66.5 mt -66.57 -27.48 67.76 Favored 'General case' 0 C--N 1.317 -0.841 0 O-C-N 127.662 3.101 . . . . 19.45 111.899 -178.699 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 77.3 m -55.5 -49.22 73.14 Favored 'General case' 0 C--N 1.361 1.07 0 O-C-N 127.773 3.171 . . . . 20.91 108.403 178.801 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -164.12 102.53 0.89 Allowed Pre-proline 0 C--O 1.265 1.891 0 O-C-N 127.156 2.785 . . . . 27.05 110.023 -178.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' PRO . . . . . 0.453 ' HG3' ' O ' ' A' ' 67' ' ' PHE 0.262 69.5 Cg_exo -65.08 -45.68 7.37 Favored 'Trans proline' 1 C--O 1.309 4.03 0 C-N-CA 123.239 2.626 . . . . 20.99 116.085 -177.37 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 72' ' ' M3L . . . . . . . . . . . . 0.344 . . . . . . . 0 N--CA 1.493 1.676 0 C-N-CA 116.582 -2.047 . . . . 23.96 114.435 179.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LYS . . . . . 0.522 ' NZ ' ' O ' ' A' ' 304' ' ' HOH 0.309 10.7 tptt -70.94 -41.7 70.78 Favored 'General case' 0 C--O 1.258 1.532 0 C-N-CA 125.906 1.682 . . . . 25.23 106.898 178.236 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -73.92 -38.76 64.2 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 126.686 1.994 . . . . 27.71 114.351 178.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ILE . . . . . 0.676 HG12 ' HG2' ' A' ' 55' ' ' LYS . 13.6 mt -137.97 79.3 33.2 Favored Pre-proline 0 N--CA 1.507 2.406 0 CA-C-O 124.242 1.972 . . . . 26.34 108.993 -178.891 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' PRO . . . . . 0.581 ' HG2' ' O ' ' A' ' 149' ' ' HOH . 51.2 Cg_exo -57.97 136.91 78.12 Favored 'Trans proline' 0 N--CA 1.491 1.363 0 N-CA-C 104.812 -2.803 . . . . 21.17 104.812 -178.489 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.3 -25.84 14.84 Favored Glycine 0 CA--C 1.554 2.489 0 CA-C-O 117.444 -1.753 . . . . 19.43 110.226 -179.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' THR . . . . . 0.507 HG22 ' O ' ' A' ' 75' ' ' ILE . 12.5 t -58.43 142.4 48.68 Favored 'General case' 0 C--O 1.262 1.718 0 N-CA-C 115.867 1.802 . . . . 18.38 115.867 -179.698 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 79' ' ' LYS . . . . . 0.552 ' HG2' HG23 ' A' ' 49' ' ' THR . 30.9 pttt -90.44 -3.6 57.56 Favored 'General case' 0 C--O 1.266 1.939 0 CA-C-O 117.122 -1.418 . . . . 17.02 109.46 177.053 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 12.8 ttt -60.81 122.05 13.84 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 114.429 -2.909 . . . . 15.29 107.843 178.59 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -96.53 79.65 3.07 Favored 'General case' 0 N--CA 1.498 1.958 0 C-N-CA 118.533 -1.267 . . . . 19.13 112.176 178.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -142.64 124.9 15.48 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 107.142 -1.429 . . . . 20.09 107.142 179.016 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -66.22 -31.01 77.88 Favored Glycine 0 C--N 1.307 -1.041 0 O-C-N 125.345 1.653 . . . . 20.0 113.551 -178.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.6 162.22 13.3 Favored Glycine 0 N--CA 1.481 1.681 0 CA-C-O 123.85 1.805 . . . . 21.7 117.455 178.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' LEU . . . . . 0.443 ' O ' ' HD3' ' A' ' 91' ' ' ARG . 16.4 mt -107.41 100.26 9.71 Favored 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 126.743 2.017 . . . . 21.03 107.07 -179.628 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -72.67 -28.43 62.7 Favored 'General case' 0 C--O 1.272 2.289 0 N-CA-C 119.364 3.098 . . . . 33.66 119.364 -178.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.5 mttp -88.77 131.36 35.09 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-N 120.299 1.409 . . . . 41.8 110.654 -179.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 63.3 tt0 -61.16 -40.09 92.57 Favored 'General case' 0 N--CA 1.436 -1.17 0 C-N-CA 123.53 0.732 . . . . 35.09 111.223 -179.694 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . 0.356 9.9 pttt -58.52 -46.78 86.05 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 126.701 2.501 . . . . 41.96 109.627 -177.973 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -62.13 -43.0 99.78 Favored 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 126.981 2.113 . . . . 25.96 109.913 178.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ARG . . . . . 0.465 ' O ' HD12 ' A' ' 95' ' ' ILE . 84.9 mtm-85 -66.76 -37.69 85.12 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 124.799 1.312 . . . . 19.03 111.295 178.066 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -65.45 -44.37 87.46 Favored 'General case' 0 C--O 1.262 1.732 0 CA-C-O 121.418 0.628 . . . . 21.17 109.779 179.715 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -57.28 -59.44 5.12 Favored 'General case' 0 C--O 1.269 2.111 0 C-N-CA 115.412 -2.515 . . . . 21.46 110.496 179.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . 0.311 35.6 tp -52.97 -42.56 65.64 Favored 'General case' 0 N--CA 1.431 -1.387 0 CA-C-O 114.06 -2.876 . . . . 17.66 110.971 -177.876 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ILE . . . . . 0.465 HD12 ' O ' ' A' ' 91' ' ' ARG . 10.1 mt -69.88 -33.53 56.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 1 O-C-N 129.218 4.074 . . . . 21.27 109.039 178.719 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 96' ' ' THR . . . . . 0.541 ' O ' ' NZ ' ' A' ' 99' ' ' LYS . 32.4 m -60.34 -39.58 87.62 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 118.791 -1.164 . . . . 31.64 108.884 -179.527 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -66.4 -47.47 73.19 Favored 'General case' 0 C--O 1.279 2.654 0 C-N-CA 126.971 2.108 . . . . 23.15 113.325 178.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . 0.289 17.4 mt -63.47 -45.57 90.18 Favored 'General case' 0 C--O 1.255 1.368 0 CA-C-O 117.103 -1.427 . . . . 29.68 108.837 -179.172 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 99' ' ' LYS . . . . . 0.541 ' NZ ' ' O ' ' A' ' 96' ' ' THR . 1.0 OUTLIER -46.44 -46.59 18.89 Favored 'General case' 0 C--O 1.293 3.372 0 CA-C-O 126.765 3.174 . . . . 37.6 111.645 176.046 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -79.66 -43.77 22.16 Favored 'General case' 0 C--N 1.311 -1.082 0 O-C-N 117.217 -3.427 . . . . 45.43 114.803 -179.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . 0.29 . . -73.86 -34.65 64.57 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 126.796 2.56 . . . . 19.76 112.766 -174.644 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 57.1 p -88.65 1.88 54.23 Favored 'General case' 0 C--N 1.294 -1.834 0 C-N-CA 116.424 -2.11 . . . . 21.63 113.03 178.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 . . . . . 0 C--O 1.252 1.228 0 C-N-CA 118.136 -1.426 . . . . 46.34 111.795 -179.625 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' SO4 . . . . . 0.465 ' O1 ' ' HG3' ' A' ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' 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 ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 149' ' ' HOH . . . . . 0.581 ' O ' ' HG2' ' A' ' 76' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' 154' ' ' 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 ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 195' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 196' ' ' HOH . . . . . 0.547 ' O ' ' HA2' ' A' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . 0.521 ' O ' ' HB3' ' A' ' -4' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 300' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 . . . . . 0.643 ' O ' ' HE3' ' A' ' 22' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 304' ' ' HOH . . . . . 0.522 ' O ' ' NZ ' ' A' ' 73' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' -5' ' ' THR . . . . . . . . . . . . . 2.9 t . . . . . 0 CA--C 1.514 -0.421 0 CA-C-O 125.354 2.502 . . . . 59.28 111.393 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' -4' ' ' GLU . . . . . 0.521 ' HB3' ' O ' ' A' ' 214' ' ' HOH . 10.9 mt-10 -146.42 16.87 1.32 Allowed 'General case' 0 C--N 1.297 -1.702 1 C-N-CA 135.902 5.681 . . . . 62.07 104.251 177.696 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' -3' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -123.45 118.77 28.18 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 111.18 -2.736 . . . . 53.03 106.069 178.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.83 134.55 44.84 Favored 'General case' 0 C--O 1.249 1.078 1 O-C-N 130.018 4.574 . . . . 44.83 109.735 -179.541 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -62.85 131.23 48.08 Favored 'General case' 0 C--O 1.266 1.969 0 O-C-N 125.886 1.991 . . . . 36.39 107.088 179.408 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -106.62 -147.31 14.29 Favored Glycine 0 C--O 1.219 -0.835 0 N-CA-C 106.565 -2.614 . . . . 30.33 106.565 -179.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -103.54 116.93 33.29 Favored 'General case' 0 C--O 1.196 -1.743 0 C-N-CA 128.26 2.624 . . . . 25.55 108.11 -179.159 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.61 -31.23 71.12 Favored 'General case' 0 C--N 1.37 1.489 0 CA-C-N 111.23 -2.714 . . . . 19.53 113.02 178.211 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.465 ' HG3' ' O1 ' ' A' ' 117' ' ' SO4 . 4.6 mttt -71.2 -43.72 66.84 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 119.836 -1.79 . . . . 37.91 107.788 -178.036 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -62.55 -39.5 93.81 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 126.267 2.229 . . . . 31.71 107.064 178.757 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.68 -37.63 90.02 Favored Glycine 0 C--N 1.365 2.147 0 O-C-N 128.466 3.604 . . . . 16.74 116.356 178.181 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.97 -41.44 95.44 Favored 'General case' 0 C--O 1.262 1.745 0 O-C-N 120.191 -1.77 . . . . 16.42 111.393 -178.799 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.309 30.3 p -75.34 -20.01 59.29 Favored 'General case' 0 N--CA 1.509 2.504 0 O-C-N 126.089 2.118 . . . . 17.72 113.663 -179.842 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 mp -71.19 -47.75 55.68 Favored 'General case' 0 C--N 1.289 -2.039 0 CA-C-O 127.949 3.738 . . . . 29.7 106.809 175.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.427 ' CE2' ' HB2' ' A' ' 14' ' ' CYS . 49.7 t80 -53.89 -56.11 20.67 Favored 'General case' 0 N--CA 1.512 2.636 0 CA-C-N 109.7 -3.409 . . . . 18.26 108.08 177.09 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -51.83 -48.26 64.01 Favored 'General case' 0 N--CA 1.531 3.597 0 CA-C-O 126.263 2.935 . . . . 30.22 113.608 179.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.3 p -84.49 -26.13 28.36 Favored 'General case' 0 C--O 1.262 1.72 0 CA-C-O 112.994 -3.384 . . . . 20.25 115.641 -178.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 mmm180 -111.02 -18.74 12.98 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-N 123.919 3.054 . . . . 53.45 114.585 179.065 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.427 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 2.9 m -123.37 -18.77 6.13 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 119.331 3.086 . . . . 15.84 119.331 -177.841 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.1 tp -58.36 -34.23 70.44 Favored 'General case' 0 C--O 1.258 1.545 0 O-C-N 126.468 2.355 . . . . 18.73 113.738 -178.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -53.54 -34.19 57.31 Favored 'General case' 0 C--O 1.278 2.574 0 CA-C-O 113.658 -3.068 . . . . 17.39 111.706 175.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 59.5 m -115.46 -9.7 12.06 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 114.96 -2.696 . . . . 18.18 118.186 -179.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.511 ' HE1' ' HD2' ' A' ' 30' ' ' PRO . 91.3 m-70 -135.51 153.61 51.67 Favored 'General case' 0 CA--C 1.495 -1.159 1 N-CA-C 122.207 4.151 . . . . 16.73 122.207 -179.421 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 81.8 p -113.73 154.54 27.16 Favored 'General case' 0 N--CA 1.499 1.988 0 CA-C-N 111.721 -2.491 . . . . 17.91 105.959 173.958 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.2 m -116.37 -8.17 12.15 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.738 0 C-N-CA 118.635 -1.226 . . . . 20.03 110.8 179.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.4 pm0 -79.98 155.11 27.81 Favored 'General case' 0 C--O 1.19 -2.07 0 C-N-CA 113.614 -3.234 . . . . 27.47 115.178 -173.507 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.643 ' HE3' ' O ' ' A' ' 303' ' ' HOH . 0.5 OUTLIER -63.21 113.96 3.49 Favored 'General case' 0 C--O 1.267 2.004 0 CA-C-N 112.089 -2.323 . . . . 36.9 105.414 175.344 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.1 4.29 69.04 Favored Glycine 0 C--O 1.264 2.013 0 O-C-N 117.743 -3.098 . . . . 22.42 111.223 -179.596 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.14 158.45 53.35 Favored Glycine 0 N--CA 1.514 3.861 0 CA-C-O 126.716 3.398 . . . . 20.33 106.901 179.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -90.09 165.63 4.71 Favored 'Trans proline' 0 C--O 1.269 2.045 0 O-C-N 116.675 -2.329 . . . . 15.35 110.006 -177.421 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -85.19 148.35 26.14 Favored 'General case' 0 CA--C 1.57 1.726 0 N-CA-C 101.267 -3.605 . . . . 15.1 101.267 171.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -129.8 -131.64 0.21 Allowed 'General case' 0 C--O 1.276 2.452 0 N-CA-C 103.214 -2.884 . . . . 26.2 103.214 177.654 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 78.0 t -58.07 -48.35 84.58 Favored 'Isoleucine or valine' 0 C--O 1.254 1.31 0 N-CA-C 103.58 -2.748 . . . . 17.93 103.58 176.587 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.51 159.32 16.95 Favored Glycine 0 N--CA 1.476 1.313 1 O-C-N 131.421 5.451 . . . . 14.26 111.474 178.648 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.511 ' HD2' ' HE1' ' A' ' 18' ' ' HIS . 11.0 Cg_endo -76.21 164.03 31.77 Favored 'Trans proline' 0 N--CA 1.45 -1.05 0 CA-C-O 115.334 -2.028 . . . . 12.99 110.391 -177.856 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -65.85 142.54 57.89 Favored 'General case' 0 C--O 1.263 1.808 0 O-C-N 128.673 3.733 . . . . 16.58 109.267 173.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.2 mt -100.58 6.85 44.26 Favored 'General case' 0 C--O 1.267 2.001 0 CA-C-N 120.581 1.537 . . . . 20.68 112.439 -179.056 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -58.84 129.08 40.43 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 121.407 1.912 . . . . 25.37 107.896 179.381 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.547 ' HA2' ' O ' ' A' ' 196' ' ' HOH . . . 68.27 30.72 73.7 Favored Glycine 0 N--CA 1.434 -1.48 0 C-N-CA 128.114 2.769 . . . . 20.66 119.548 -179.202 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.8 tp -72.74 -28.89 28.39 Favored 'Isoleucine or valine' 0 C--O 1.282 2.813 0 CA-C-O 116.116 -1.897 . . . . 24.81 115.121 -178.151 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -68.91 138.79 54.93 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 120.323 1.42 . . . . 31.06 109.805 -179.226 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.15 4.3 63.05 Favored Glycine 0 C--O 1.251 1.206 0 C-N-CA 127.336 2.398 . . . . 30.94 111.648 -178.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 27.6 ttp180 -104.52 141.61 36.09 Favored 'General case' 0 C--O 1.253 1.278 0 C-N-CA 128.51 2.724 . . . . 37.92 107.07 178.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.515 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 68.4 m80 -81.99 158.28 23.91 Favored 'General case' 0 CA--C 1.567 1.605 0 N-CA-C 104.163 -2.532 . . . . 29.25 104.163 178.015 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 95.3 p -72.12 159.08 34.75 Favored 'General case' 0 C--O 1.254 1.336 0 O-C-N 126.455 2.347 . . . . 22.18 114.125 -178.208 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.29 29.39 70.27 Favored Glycine 0 C--N 1.266 -3.353 0 C-N-CA 130.215 3.769 . . . . 24.77 110.785 178.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . 0.344 0.0 OUTLIER -114.33 -1.88 13.44 Favored 'General case' 0 C--O 1.277 2.516 0 N-CA-C 121.452 3.871 . . . . 45.09 121.452 -175.398 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.92 137.88 56.87 Favored 'General case' 0 C--O 1.271 2.196 0 N-CA-C 106.578 -1.638 . . . . 22.66 106.578 175.16 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.494 7.7 pt-20 -84.05 145.7 28.34 Favored 'General case' 0 C--O 1.266 1.964 0 CA-C-O 127.855 3.693 . . . . 49.68 114.67 179.09 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.37 29.66 63.74 Favored Glycine 0 C--N 1.375 2.706 0 CA-C-N 111.03 -2.804 . . . . 20.64 112.691 -177.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -128.28 131.29 48.72 Favored 'General case' 0 CA--C 1.558 1.281 0 CA-C-O 125.47 2.557 . . . . 19.81 111.25 176.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . 0.296 43.1 t -86.03 87.85 7.49 Favored 'General case' 0 C--O 1.288 3.116 0 CA-C-O 127.797 3.665 . . . . 34.12 112.712 -179.725 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.418 ' HB3' ' CG2' ' A' ' 52' ' ' ILE . 89.3 m-85 -80.2 169.64 17.52 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 117.735 -3.103 . . . . 21.46 111.219 -179.515 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' THR . . . . . 0.552 HG23 ' HG2' ' A' ' 79' ' ' LYS . 38.5 p -76.73 165.47 24.69 Favored 'General case' 0 CA--C 1.572 1.81 0 N-CA-C 104.033 -2.58 . . . . 20.26 104.033 176.915 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -65.38 -42.17 92.95 Favored 'General case' 0 C--O 1.194 -1.819 0 N-CA-C 104.243 -2.503 . . . . 28.37 104.243 173.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -45.91 -60.33 2.31 Favored 'General case' 0 C--O 1.264 1.823 0 O-C-N 126.677 2.486 . . . . 22.45 116.195 -179.336 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.418 ' CG2' ' HB3' ' A' ' 48' ' ' TYR . 6.2 tt -66.98 -31.87 55.41 Favored 'Isoleucine or valine' 0 C--O 1.264 1.864 0 O-C-N 125.594 1.809 . . . . 20.24 112.781 -179.567 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.1 mt -58.83 -57.2 12.23 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 O-C-N 124.506 1.129 . . . . 21.01 113.235 -179.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -61.95 -36.17 80.62 Favored 'General case' 0 N--CA 1.436 -1.155 1 O-C-N 130.365 4.791 . . . . 22.91 113.92 -178.774 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LYS . . . . . 1.032 ' HG3' HG23 ' A' ' 57' ' ' VAL . 0.8 OUTLIER -52.22 -39.89 60.84 Favored 'General case' 0 C--N 1.284 -2.278 0 O-C-N 126.528 2.393 . . . . 30.73 108.28 -179.902 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 53.86 29.4 9.76 Favored 'General case' 0 C--O 1.25 1.093 0 O-C-N 119.108 -2.245 . . . . 28.98 116.596 176.613 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' VAL . . . . . 1.032 HG23 ' HG3' ' A' ' 55' ' ' LYS 0.332 76.9 t -55.46 137.5 16.8 Favored 'Isoleucine or valine' 0 C--O 1.251 1.159 0 CA-C-O 119.044 -0.503 . . . . 31.51 111.05 177.25 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -96.39 115.96 28.28 Favored 'General case' 0 CA--C 1.572 1.825 0 N-CA-C 100.845 -3.761 . . . . 32.32 100.845 173.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 46.0 m95 -70.75 113.74 8.14 Favored 'General case' 0 C--O 1.206 -1.227 0 O-C-N 128.459 3.599 . . . . 27.92 117.181 -176.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . 0.279 17.1 p30 -132.96 172.86 12.06 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 104.216 -2.513 . . . . 33.49 104.216 176.627 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.691 ' HG3' ' OD1' ' A' ' 62' ' ' ASN . 23.7 pt-20 -55.97 -29.81 60.79 Favored 'General case' 0 C--N 1.292 -1.892 0 O-C-N 127.335 2.897 . . . . 41.34 113.795 -177.488 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.691 ' OD1' ' HG3' ' A' ' 61' ' ' GLU . 35.6 m-20 -83.16 -35.42 25.53 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-N 112.875 -1.966 . . . . 38.16 114.121 -176.349 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.66 ' OD1' HG13 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -70.0 -48.16 59.26 Favored 'General case' 0 C--N 1.279 -2.467 0 C-N-CA 127.258 2.223 . . . . 32.71 107.891 178.594 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 33.1 tpp -56.51 -45.72 80.91 Favored 'General case' 0 N--CA 1.476 0.845 1 CA-C-N 107.545 -4.388 . . . . 23.0 110.331 -179.985 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.0 t -59.17 -39.32 82.13 Favored 'General case' 0 C--O 1.255 1.387 0 C-N-CA 126.031 1.732 . . . . 22.47 112.46 179.749 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.253 3.6 tp10 -71.36 -37.34 71.65 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-O 128.309 3.909 . . . . 51.65 110.544 178.068 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.453 ' O ' ' HG3' ' A' ' 71' ' ' PRO . 36.9 t80 -65.5 -43.47 90.05 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 118.051 -2.906 . . . . 23.36 111.155 -177.296 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 66.5 mt -66.57 -27.48 67.76 Favored 'General case' 0 C--N 1.317 -0.841 0 O-C-N 127.662 3.101 . . . . 19.45 111.899 -178.699 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 77.3 m -55.5 -49.22 73.14 Favored 'General case' 0 C--N 1.361 1.07 0 O-C-N 127.773 3.171 . . . . 20.91 108.403 178.801 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -164.12 102.53 0.89 Allowed Pre-proline 0 C--O 1.265 1.891 0 O-C-N 127.156 2.785 . . . . 27.05 110.023 -178.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.453 ' HG3' ' O ' ' A' ' 67' ' ' PHE 0.262 69.5 Cg_exo -65.08 -45.68 7.37 Favored 'Trans proline' 1 C--O 1.309 4.03 0 C-N-CA 123.239 2.626 . . . . 20.99 116.085 -177.37 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' M3L . . . . . . . . . . . . 0.344 . . . . . . . 0 N--CA 1.493 1.676 0 C-N-CA 116.582 -2.047 . . . . 23.96 114.435 179.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.522 ' NZ ' ' O ' ' A' ' 304' ' ' HOH 0.309 10.7 tptt -70.94 -41.7 70.78 Favored 'General case' 0 C--O 1.258 1.532 0 C-N-CA 125.906 1.682 . . . . 25.23 106.898 178.236 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -73.92 -38.76 64.2 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 126.686 1.994 . . . . 27.71 114.351 178.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.676 HG12 ' HG2' ' A' ' 55' ' ' LYS . 13.6 mt -137.97 79.3 33.2 Favored Pre-proline 0 N--CA 1.507 2.406 0 CA-C-O 124.242 1.972 . . . . 26.34 108.993 -178.891 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.581 ' HG2' ' O ' ' A' ' 149' ' ' HOH . 51.2 Cg_exo -57.97 136.91 78.12 Favored 'Trans proline' 0 N--CA 1.491 1.363 0 N-CA-C 104.812 -2.803 . . . . 21.17 104.812 -178.489 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.3 -25.84 14.84 Favored Glycine 0 CA--C 1.554 2.489 0 CA-C-O 117.444 -1.753 . . . . 19.43 110.226 -179.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' THR . . . . . 0.507 HG22 ' O ' ' A' ' 75' ' ' ILE . 12.5 t -58.43 142.4 48.68 Favored 'General case' 0 C--O 1.262 1.718 0 N-CA-C 115.867 1.802 . . . . 18.38 115.867 -179.698 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.552 ' HG2' HG23 ' A' ' 49' ' ' THR . 30.9 pttt -90.44 -3.6 57.56 Favored 'General case' 0 C--O 1.266 1.939 0 CA-C-O 117.122 -1.418 . . . . 17.02 109.46 177.053 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 12.8 ttt -60.81 122.05 13.84 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 114.429 -2.909 . . . . 15.29 107.843 178.59 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -96.53 79.65 3.07 Favored 'General case' 0 N--CA 1.498 1.958 0 C-N-CA 118.533 -1.267 . . . . 19.13 112.176 178.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -142.64 124.9 15.48 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 107.142 -1.429 . . . . 20.09 107.142 179.016 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -66.22 -31.01 77.88 Favored Glycine 0 C--N 1.307 -1.041 0 O-C-N 125.345 1.653 . . . . 20.0 113.551 -178.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.6 162.22 13.3 Favored Glycine 0 N--CA 1.481 1.681 0 CA-C-O 123.85 1.805 . . . . 21.7 117.455 178.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.443 ' O ' ' HD3' ' A' ' 91' ' ' ARG . 16.4 mt -107.41 100.26 9.71 Favored 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 126.743 2.017 . . . . 21.03 107.07 -179.628 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -72.67 -28.43 62.7 Favored 'General case' 0 C--O 1.272 2.289 0 N-CA-C 119.364 3.098 . . . . 33.66 119.364 -178.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.5 mttp -88.77 131.36 35.09 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-N 120.299 1.409 . . . . 41.8 110.654 -179.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 63.3 tt0 -61.16 -40.09 92.57 Favored 'General case' 0 N--CA 1.436 -1.17 0 C-N-CA 123.53 0.732 . . . . 35.09 111.223 -179.694 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . 0.356 9.9 pttt -58.52 -46.78 86.05 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 126.701 2.501 . . . . 41.96 109.627 -177.973 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -62.13 -43.0 99.78 Favored 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 126.981 2.113 . . . . 25.96 109.913 178.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.465 ' O ' HD12 ' A' ' 95' ' ' ILE . 84.9 mtm-85 -66.76 -37.69 85.12 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 124.799 1.312 . . . . 19.03 111.295 178.066 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -65.45 -44.37 87.46 Favored 'General case' 0 C--O 1.262 1.732 0 CA-C-O 121.418 0.628 . . . . 21.17 109.779 179.715 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -57.28 -59.44 5.12 Favored 'General case' 0 C--O 1.269 2.111 0 C-N-CA 115.412 -2.515 . . . . 21.46 110.496 179.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . 0.311 35.6 tp -52.97 -42.56 65.64 Favored 'General case' 0 N--CA 1.431 -1.387 0 CA-C-O 114.06 -2.876 . . . . 17.66 110.971 -177.876 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.465 HD12 ' O ' ' A' ' 91' ' ' ARG . 10.1 mt -69.88 -33.53 56.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 1 O-C-N 129.218 4.074 . . . . 21.27 109.039 178.719 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' THR . . . . . 0.541 ' O ' ' NZ ' ' A' ' 99' ' ' LYS . 32.4 m -60.34 -39.58 87.62 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 118.791 -1.164 . . . . 31.64 108.884 -179.527 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -66.4 -47.47 73.19 Favored 'General case' 0 C--O 1.279 2.654 0 C-N-CA 126.971 2.108 . . . . 23.15 113.325 178.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . 0.289 17.4 mt -63.47 -45.57 90.18 Favored 'General case' 0 C--O 1.255 1.368 0 CA-C-O 117.103 -1.427 . . . . 29.68 108.837 -179.172 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.541 ' NZ ' ' O ' ' A' ' 96' ' ' THR . 1.0 OUTLIER -46.44 -46.59 18.89 Favored 'General case' 0 C--O 1.293 3.372 0 CA-C-O 126.765 3.174 . . . . 37.6 111.645 176.046 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -79.66 -43.77 22.16 Favored 'General case' 0 C--N 1.311 -1.082 0 O-C-N 117.217 -3.427 . . . . 45.43 114.803 -179.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . 0.29 . . -73.86 -34.65 64.57 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 126.796 2.56 . . . . 19.76 112.766 -174.644 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 57.1 p -88.65 1.88 54.23 Favored 'General case' 0 C--N 1.294 -1.834 0 C-N-CA 116.424 -2.11 . . . . 21.63 113.03 178.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 . . . . . 0 C--O 1.252 1.228 0 C-N-CA 118.136 -1.426 . . . . 46.34 111.795 -179.625 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' SO4 . . . . . 0.465 ' O1 ' ' HG3' ' A' ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' 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 ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' HOH . . . . . 0.581 ' O ' ' HG2' ' A' ' 76' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' 154' ' ' 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 ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 195' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 196' ' ' HOH . . . . . 0.547 ' O ' ' HA2' ' A' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . 0.521 ' O ' ' HB3' ' A' ' -4' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 300' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 . . . . . 0.643 ' O ' ' HE3' ' A' ' 22' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' HOH . . . . . 0.522 ' O ' ' NZ ' ' A' ' 73' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_