data_6nty_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6nty _Structure_validation_residue.Date_analyzed 2019-10-18 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 ' 19' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 121.758 0.79 . . . . 50.93 111.246 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.76 153.51 39.97 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.804 0.811 . . . . 53.67 111.258 -170.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.51 -6.43 73.09 Favored Glycine 0 N--CA 1.442 -0.964 0 CA-C-N 114.98 -1.009 . . . . 44.85 114.845 174.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -91.32 142.06 28.1 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-N 118.131 0.966 . . . . 60.48 111.005 -174.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 42.8 mtp -139.23 149.17 44.03 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.626 -0.715 . . . . 33.5 110.3 177.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -114.46 128.91 56.58 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 106.324 -1.732 . . . . 46.16 106.324 176.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.4 mt -121.02 122.71 68.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 N-CA-C 109.153 -0.684 . . . . 41.72 109.153 -172.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -100.59 159.94 19.06 Favored Glycine 0 N--CA 1.441 -0.999 0 CA-C-O 121.814 0.675 . . . . 33.8 112.898 175.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.21 15.72 60.24 Favored Glycine 0 C--O 1.241 0.587 0 N-CA-C 115.923 1.129 . . . . 40.28 115.923 168.81 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.0 mt -63.28 142.19 58.48 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 118.07 0.935 . . . . 35.61 109.863 -179.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -53.79 157.96 2.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.123 -0.489 . . . . 40.61 110.369 170.013 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 52.3 p-90 -67.57 -20.95 65.45 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 119.375 -0.93 . . . . 41.48 111.165 176.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -95.28 -6.25 41.8 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.455 0.909 . . . . 47.48 113.455 -175.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 36.8 m -66.93 120.71 14.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 118.596 0.634 . . . . 37.59 109.502 -179.042 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 96.9 p -85.06 163.81 44.17 Favored Pre-proline 0 CA--C 1.535 0.398 0 C-N-CA 125.967 1.707 . . . . 37.35 111.284 173.443 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -60.12 -31.78 93.74 Favored 'Trans proline' 0 CA--C 1.509 -0.773 0 N-CA-C 114.423 0.893 . . . . 42.53 114.423 170.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . . . -74.37 -29.36 61.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 120.463 -1.398 . . . . 38.15 111.202 176.088 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 75.6 m -67.71 -38.81 84.12 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 117.775 -1.57 . . . . 46.08 110.912 171.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.6 tp -66.1 -45.34 81.52 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.038 -0.665 . . . . 37.52 110.263 177.437 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.3 ttp85 -64.7 -41.55 95.94 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 119.471 -0.892 . . . . 54.48 111.197 179.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -64.36 -41.52 96.68 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 119.65 -0.82 . . . . 55.69 111.585 -174.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' TYR . . . . . 0.468 ' OH ' ' ND1' ' A' ' 84' ' ' HIS . 64.6 t80 -64.92 -47.01 79.26 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-O 121.382 0.61 . . . . 40.83 111.392 177.597 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -81.49 -17.48 48.49 Favored 'General case' 0 CA--C 1.515 -0.399 0 C-N-CA 118.387 -1.325 . . . . 40.81 112.727 -171.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 83.9 p -58.08 -18.22 23.32 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 120.226 -0.589 . . . . 50.2 112.171 171.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . . . -72.15 -8.06 52.56 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 118.925 0.784 . . . . 48.28 112.524 -179.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -108.03 -6.29 16.62 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.103 0.779 . . . . 43.03 113.103 173.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 160.59 170.97 25.9 Favored Glycine 0 CA--C 1.508 -0.384 0 CA-C-N 119.056 0.844 . . . . 41.19 111.178 177.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -67.03 147.71 52.86 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 114.897 -0.652 . . . . 65.63 110.811 174.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.9 mt -121.67 130.05 74.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 115.415 -0.812 . . . . 47.78 109.295 -170.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 31.6 mtp180 -86.14 -53.96 4.75 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 123.637 0.775 . . . . 61.48 111.575 179.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . . . -135.31 149.26 49.72 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 108.237 -1.023 . . . . 44.15 108.237 -178.749 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 41.3 t -155.95 132.42 10.24 Favored 'General case' 0 C--O 1.241 0.648 0 N-CA-C 108.707 -0.849 . . . . 45.19 108.707 -178.012 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . . . -146.63 147.85 31.47 Favored 'General case' 0 CA--C 1.519 -0.235 0 O-C-N 123.613 0.571 . . . . 36.28 109.774 -178.039 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 42.2 t -119.41 139.78 45.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 C-N-CA 125.136 1.374 . . . . 37.65 108.14 172.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 19.6 ttp -128.63 126.6 40.55 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.07 -0.715 . . . . 44.2 109.07 175.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -76.62 146.32 38.31 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.312 0.577 . . . . 43.47 110.31 -177.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -85.23 112.4 43.41 Favored Pre-proline 0 C--O 1.241 0.628 0 N-CA-C 106.604 -1.628 . . . . 54.76 106.604 166.071 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -87.04 6.69 5.18 Favored 'Trans proline' 0 C--N 1.328 -0.541 0 N-CA-C 114.998 1.115 . . . . 46.84 114.998 -174.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.5 t -51.92 -41.77 62.27 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 119.408 1.004 . . . . 56.98 110.041 174.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 p -132.37 165.04 25.16 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 107.443 -1.317 . . . . 50.21 107.443 172.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . . . -77.15 -3.98 42.21 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.963 -0.562 . . . . 42.45 111.932 166.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 87.6 mmt-85 -127.11 39.91 3.82 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.387 1.075 . . . . 46.93 110.219 -177.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' SER . . . . . 0.781 ' OG ' ' O ' ' A' ' 301' ' ' HOH . 0.9 OUTLIER -111.86 151.34 29.23 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 121.551 -0.718 . . . . 56.63 109.207 -175.909 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.1 mtm180 -70.91 141.31 51.16 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.856 -0.611 . . . . 54.03 110.033 -177.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -107.31 -169.41 22.08 Favored Glycine 0 N--CA 1.441 -1.004 0 CA-C-O 121.972 0.762 . . . . 34.96 112.911 -179.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -133.99 146.49 50.46 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 108.411 -0.959 . . . . 55.56 108.411 -170.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -127.55 153.82 19.36 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 109.278 -1.529 . . . . 30.18 109.278 -174.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -134.19 128.51 34.15 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 107.649 -1.241 . . . . 43.05 107.649 174.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.7 t -127.55 142.43 43.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 N-CA-C 108.198 -1.038 . . . . 44.16 108.198 178.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 31.8 m -126.52 104.45 8.14 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 105.582 -2.007 . . . . 41.07 105.582 176.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -77.42 150.25 35.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.42 0.629 . . . . 38.16 110.37 -177.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.23 -49.66 47.8 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.41 -0.814 . . . . 41.92 110.855 173.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -93.81 116.05 65.94 Favored Pre-proline 0 C--O 1.237 0.412 0 N-CA-C 109.41 -0.589 . . . . 42.82 109.41 176.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -61.89 -12.36 25.4 Favored 'Trans proline' 0 CA--C 1.511 -0.648 0 CA-C-N 119.424 0.83 . . . . 46.21 114.255 176.799 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.77 -12.08 60.86 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 118.893 0.77 . . . . 43.55 112.372 169.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.5 m -66.03 -35.83 81.62 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 118.352 0.524 . . . . 45.17 111.097 178.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 70.9 t -53.34 -46.2 57.38 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 CA-C-O 121.519 0.676 . . . . 38.48 110.723 173.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . . . -61.81 -44.07 97.58 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 119.532 -0.867 . . . . 36.97 110.331 -179.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . . . -57.32 -41.92 80.85 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.013 -0.675 . . . . 40.9 110.831 178.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 66.4 t -63.46 -46.09 96.13 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 CA-C-O 121.191 0.52 . . . . 34.83 110.948 179.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 83.7 mt -72.52 -20.34 61.37 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 118.662 -1.215 . . . . 42.1 111.98 -172.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -74.11 -13.94 80.78 Favored Glycine 0 C--N 1.335 0.476 0 CA-C-O 118.867 -0.963 . . . . 44.88 114.517 179.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -74.67 141.86 76.5 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 118.279 1.04 . . . . 64.86 109.884 172.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -77.33 -34.9 1.85 Allowed 'Trans proline' 0 C--O 1.235 0.349 0 N-CA-C 114.192 0.805 . . . . 48.55 114.192 169.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -123.71 140.6 52.83 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 118.673 0.669 . . . . 49.37 111.353 -176.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' HIS . . . . . 0.468 ' ND1' ' OH ' ' A' ' 40' ' ' TYR . 88.1 m-70 -128.02 129.19 46.31 Favored 'General case' 0 C--N 1.34 0.193 0 N-CA-C 109.325 -0.62 . . . . 32.1 109.325 170.03 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -133.44 135.96 44.9 Favored 'General case' 0 CA--C 1.518 -0.276 0 C-N-CA 123.571 0.748 . . . . 50.14 109.834 -178.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 45.8 tp -148.22 132.07 17.05 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 107.257 -1.386 . . . . 38.68 107.257 -178.749 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 47.88 35.84 5.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.464 0.65 . . . . 42.14 111.278 -179.139 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.1 t 74.7 13.34 3.56 Favored 'General case' 0 C--O 1.256 1.44 0 C-N-CA 127.334 2.254 . . . . 55.67 113.584 174.331 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 8.7 mmmt -117.04 144.24 44.84 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.2 -1.037 . . . . 48.04 108.2 177.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.6 m -75.65 115.25 15.13 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.536 -0.542 . . . . 35.16 109.536 173.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 40.9 pt -101.65 160.93 3.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 122.063 0.935 . . . . 36.52 109.334 -179.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -129.43 81.91 68.93 Favored Pre-proline 0 C--O 1.238 0.485 0 O-C-N 121.853 -0.53 . . . . 57.49 109.914 -163.419 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -77.96 131.89 11.36 Favored 'Trans proline' 0 CA--C 1.52 -0.177 0 C-N-CA 120.077 0.518 . . . . 33.36 111.195 -176.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . . . -130.68 149.06 52.51 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.953 -0.758 . . . . 39.68 108.953 -179.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 97.5 t -58.53 132.51 23.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 N-CA-C 109.078 -0.712 . . . . 41.64 109.078 169.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -80.78 140.04 35.72 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.843 -0.429 . . . . 44.5 109.843 -177.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -130.66 72.76 81.72 Favored Pre-proline 0 C--O 1.238 0.454 0 N-CA-C 108.285 -1.006 . . . . 48.06 108.285 -177.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -82.87 148.8 13.81 Favored 'Trans proline' 0 C--N 1.325 -0.674 0 CA-C-O 121.512 0.547 . . . . 46.72 111.012 -176.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -138.18 111.33 7.89 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.154 -1.425 . . . . 47.59 107.154 173.244 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.549 0 CA-C-O 120.648 0.261 . . . . 42.54 111.655 177.566 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.286 0 CA-C-O 120.988 0.423 . . . . 55.48 110.547 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.21 158.45 15.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.792 0.806 . . . . 57.54 110.928 -171.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.49 14.45 80.06 Favored Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 114.877 -1.056 . . . . 39.81 115.574 178.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 8.3 mttp -108.0 146.0 33.12 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 118.602 1.201 . . . . 56.7 112.477 -172.024 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 42.3 mtp -144.45 158.86 43.55 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 114.94 -1.027 . . . . 30.17 109.946 177.319 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -135.4 156.82 48.29 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 107.411 -1.329 . . . . 35.02 107.411 173.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 3.5 mp -135.26 127.58 47.44 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.604 0 N-CA-C 105.551 -2.018 . . . . 31.6 105.551 -175.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -101.06 169.47 20.89 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-O 122.552 1.084 . . . . 39.51 111.668 171.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.85 25.65 57.67 Favored Glycine 0 C--O 1.238 0.362 0 N-CA-C 116.111 1.205 . . . . 41.23 116.111 175.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 73.5 mt -79.78 131.77 35.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 118.651 1.225 . . . . 38.41 109.56 -178.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 13.3 p -73.12 162.76 29.06 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-O 122.076 0.941 . . . . 48.44 110.047 174.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 89.4 m95 -60.43 -27.23 67.32 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 114.876 -1.056 . . . . 46.16 110.921 171.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -52.92 -47.14 68.21 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.264 0.554 . . . . 66.09 110.863 176.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 55.9 m -71.28 118.22 13.8 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 121.185 0.517 . . . . 46.27 110.308 -169.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.82 157.77 81.41 Favored Pre-proline 0 C--N 1.31 -1.124 0 C-N-CA 125.122 1.369 . . . . 42.17 110.002 173.962 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.69 -36.78 95.51 Favored 'Trans proline' 0 C--O 1.238 0.517 0 C-N-CA 118.745 -0.37 . . . . 38.18 112.178 166.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -67.28 -35.77 80.19 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.542 -0.463 . . . . 61.2 111.321 -179.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -65.82 -42.86 90.08 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 120.448 0.166 . . . . 47.33 111.156 177.044 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 13.6 tp -59.78 -46.52 88.95 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.086 0.47 . . . . 33.55 110.911 176.18 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -61.67 -47.52 84.99 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.864 0.364 . . . . 59.1 110.736 178.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -55.87 -41.43 74.37 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 120.471 -0.492 . . . . 39.63 111.261 175.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -62.67 -47.79 82.13 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 119.254 -0.978 . . . . 31.36 111.394 -178.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -86.03 -19.63 30.04 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 112.409 0.522 . . . . 36.95 112.409 -169.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 78.8 p -62.05 -18.95 62.28 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 118.02 0.373 . . . . 38.19 111.777 175.082 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? -68.7 -18.43 64.25 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 118.949 -1.1 . . . . 44.18 111.161 178.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -95.53 -3.23 46.98 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 113.101 0.778 . . . . 33.06 113.101 176.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 149.82 169.37 16.02 Favored Glycine 0 C--N 1.319 -0.412 0 N-CA-C 110.232 -1.147 . . . . 34.41 110.232 177.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -74.4 140.87 45.02 Favored 'General case' 0 C--O 1.242 0.677 0 C-N-CA 118.785 -1.166 . . . . 36.02 109.905 -178.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 6.1 mt -107.58 130.94 59.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 125.875 1.67 . . . . 39.44 109.489 -171.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' B' ' 68' ' ' THR . . . -81.59 -46.89 13.76 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.985 0.421 . . . . 43.47 110.644 177.952 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . . . -136.44 152.66 50.82 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.351 -0.981 . . . . 39.5 108.351 -175.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 53.5 t -155.81 138.33 14.99 Favored 'General case' 0 CA--C 1.511 -0.55 0 N-CA-C 106.7 -1.593 . . . . 42.23 106.7 177.18 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 2.0 ttp -160.94 142.7 12.14 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 107.303 -1.369 . . . . 68.59 107.303 -163.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 48.7 t -125.44 138.88 52.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 107.317 -1.364 . . . . 38.67 107.317 177.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 21.1 tpp -117.01 110.53 18.36 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 107.876 -1.157 . . . . 55.5 107.876 175.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -86.14 159.9 19.39 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 119.93 -0.708 . . . . 45.13 109.883 -176.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -122.0 91.81 48.85 Favored Pre-proline 0 C--O 1.243 0.749 0 N-CA-C 108.778 -0.823 . . . . 55.13 108.778 171.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo . . . . . 0 CA--C 1.534 0.517 0 C-N-CA 121.959 1.773 . . . . 60.16 113.492 179.576 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.436 0 N-CA-C 111.14 0.052 . . . . 60.62 111.14 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . . . -130.05 51.2 2.11 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.34 1.056 . . . . 56.01 109.833 174.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 1.2 m -159.34 -44.7 0.05 Allowed 'General case' 0 C--O 1.237 0.427 0 N-CA-C 118.638 2.829 . . . . 60.65 118.638 -173.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . . . -158.04 110.99 2.4 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 120.559 1.527 . . . . 56.85 114.889 -170.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -104.69 -172.87 24.68 Favored Glycine 0 CA--C 1.526 0.762 0 CA-C-O 121.916 0.731 . . . . 40.82 112.763 173.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -119.87 143.52 47.88 Favored 'General case' 0 C--O 1.227 -0.113 0 C-N-CA 123.446 0.698 . . . . 44.93 111.711 -169.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -125.96 145.82 15.91 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 110.332 -1.107 . . . . 31.11 110.332 -178.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -132.88 125.55 30.19 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.031 -0.584 . . . . 36.57 109.999 -174.331 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 38.6 t -127.42 137.94 56.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 108.812 -0.81 . . . . 36.17 108.812 -176.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' THR . . . . . 0.429 ' O ' ' N ' ' B' ' 48' ' ' ARG . 55.4 m -117.5 112.98 21.34 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 106.658 -1.608 . . . . 37.74 106.658 175.059 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -80.18 145.29 32.37 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.532 0.682 . . . . 35.77 110.668 175.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.11 -49.36 71.92 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-N 114.567 -1.197 . . . . 41.24 111.698 169.81 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -116.47 120.76 34.23 Favored Pre-proline 0 C--O 1.246 0.901 0 C-N-CA 122.777 0.431 . . . . 67.09 111.228 -174.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_exo -47.11 -32.23 13.19 Favored 'Trans proline' 0 C--O 1.236 0.398 0 N-CA-C 114.745 1.017 . . . . 48.91 114.745 177.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.26 -32.96 11.78 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 119.06 0.845 . . . . 40.51 112.216 175.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 67.5 m -62.66 -30.34 71.31 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 118.835 -1.146 . . . . 32.36 111.552 -177.74 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 72.6 t -61.82 -38.43 80.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 C-N-CA 119.839 -0.745 . . . . 33.07 109.932 178.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -65.17 -33.98 77.31 Favored 'General case' 0 C--N 1.348 0.531 0 O-C-N 122.081 -0.387 . . . . 40.75 111.471 -179.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -70.71 -39.29 73.51 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 120.925 -0.31 . . . . 50.24 111.618 178.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 58.6 t -60.55 -47.36 93.11 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 C-N-CA 120.119 -0.632 . . . . 29.61 110.473 171.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 98.9 mt -76.8 -20.73 56.06 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 118.454 -1.299 . . . . 34.82 113.142 -173.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.42 -10.63 85.74 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 115.374 0.909 . . . . 34.3 115.374 172.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -90.53 119.35 69.1 Favored Pre-proline 0 N--CA 1.468 0.429 0 CA-C-N 118.295 1.047 . . . . 38.93 108.39 166.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -81.09 -28.02 2.66 Favored 'Trans proline' 0 C--N 1.352 0.733 0 N-CA-C 115.05 1.135 . . . . 40.65 115.05 -167.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -117.48 130.73 56.63 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 118.766 0.712 . . . . 37.55 111.118 178.896 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -126.73 147.13 50.0 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.495 -0.558 . . . . 33.17 109.495 177.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -145.93 140.72 27.14 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.592 -0.892 . . . . 56.3 108.592 -178.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 32.0 tp -147.98 115.93 6.44 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 109.838 -0.43 . . . . 31.92 109.838 -178.953 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 56.18 44.98 24.16 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.671 0.748 . . . . 38.11 111.304 176.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 3.4 m 88.63 -11.37 0.45 Allowed 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 126.592 1.957 . . . . 44.59 113.189 174.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . . . -106.76 135.34 48.46 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 119.441 1.019 . . . . 37.45 110.846 -175.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' THR . . . . . . . . . . . . . 32.4 m -68.99 133.95 48.83 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.798 -1.186 . . . . 33.75 107.798 168.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 45.9 pt -125.52 158.19 34.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 107.133 -1.432 . . . . 27.22 107.133 -177.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -135.29 80.35 46.76 Favored Pre-proline 0 N--CA 1.471 0.611 0 N-CA-C 108.92 -0.77 . . . . 49.94 108.92 -169.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -63.93 143.91 86.64 Favored 'Trans proline' 0 C--N 1.333 -0.255 0 N-CA-C 109.995 -0.809 . . . . 32.05 109.995 -173.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 10.0 mttp -136.54 152.34 50.39 Favored 'General case' 0 C--N 1.341 0.237 0 C-N-CA 123.24 0.616 . . . . 49.89 110.146 -175.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 7.1 m -73.36 143.24 13.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 108.51 -0.922 . . . . 34.79 108.51 178.495 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -116.77 127.49 54.4 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 108.313 -0.995 . . . . 40.42 108.313 -173.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -120.86 78.03 30.8 Favored Pre-proline 0 C--O 1.236 0.388 0 N-CA-C 106.047 -1.835 . . . . 53.13 106.047 -177.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -75.53 140.74 24.38 Favored 'Trans proline' 0 C--N 1.33 -0.415 0 N-CA-C 109.591 -0.965 . . . . 43.53 109.591 -179.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . . . -138.18 115.08 10.76 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 107.966 -1.124 . . . . 43.49 107.966 -173.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.415 0 O-C-N 123.348 0.405 . . . . 48.27 111.655 -170.524 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' PO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . 0.781 ' O ' ' OG ' ' A' ' 61' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 121.758 0.79 . . . . 50.93 111.246 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.76 153.51 39.97 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.804 0.811 . . . . 53.67 111.258 -170.334 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.51 -6.43 73.09 Favored Glycine 0 N--CA 1.442 -0.964 0 CA-C-N 114.98 -1.009 . . . . 44.85 114.845 174.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -91.32 142.06 28.1 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-N 118.131 0.966 . . . . 60.48 111.005 -174.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 42.8 mtp -139.23 149.17 44.03 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.626 -0.715 . . . . 33.5 110.3 177.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -114.46 128.91 56.58 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 106.324 -1.732 . . . . 46.16 106.324 176.282 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.4 mt -121.02 122.71 68.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 N-CA-C 109.153 -0.684 . . . . 41.72 109.153 -172.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -100.59 159.94 19.06 Favored Glycine 0 N--CA 1.441 -0.999 0 CA-C-O 121.814 0.675 . . . . 33.8 112.898 175.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.21 15.72 60.24 Favored Glycine 0 C--O 1.241 0.587 0 N-CA-C 115.923 1.129 . . . . 40.28 115.923 168.81 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.0 mt -63.28 142.19 58.48 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 118.07 0.935 . . . . 35.61 109.863 -179.675 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -53.79 157.96 2.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.123 -0.489 . . . . 40.61 110.369 170.013 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 52.3 p-90 -67.57 -20.95 65.45 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 119.375 -0.93 . . . . 41.48 111.165 176.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -95.28 -6.25 41.8 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.455 0.909 . . . . 47.48 113.455 -175.929 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 36.8 m -66.93 120.71 14.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 118.596 0.634 . . . . 37.59 109.502 -179.042 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 96.9 p -85.06 163.81 44.17 Favored Pre-proline 0 CA--C 1.535 0.398 0 C-N-CA 125.967 1.707 . . . . 37.35 111.284 173.443 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -60.12 -31.78 93.74 Favored 'Trans proline' 0 CA--C 1.509 -0.773 0 N-CA-C 114.423 0.893 . . . . 42.53 114.423 170.407 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . . . -74.37 -29.36 61.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 120.463 -1.398 . . . . 38.15 111.202 176.088 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 75.6 m -67.71 -38.81 84.12 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 117.775 -1.57 . . . . 46.08 110.912 171.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LEU . . . . . 0.509 HD23 ' SG ' ' A' ' 50' ' ' CYS . 22.6 tp -66.1 -45.34 81.52 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.038 -0.665 . . . . 37.52 110.263 177.437 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.3 ttp85 -64.7 -41.55 95.94 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 119.471 -0.892 . . . . 54.48 111.197 179.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -64.36 -41.52 96.68 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 119.65 -0.82 . . . . 55.69 111.585 -174.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -64.92 -47.01 79.26 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-O 121.382 0.61 . . . . 40.83 111.392 177.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -81.49 -17.48 48.49 Favored 'General case' 0 CA--C 1.515 -0.399 0 C-N-CA 118.387 -1.325 . . . . 40.81 112.727 -171.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 83.9 p -58.08 -18.22 23.32 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 120.226 -0.589 . . . . 50.2 112.171 171.292 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . . . -72.15 -8.06 52.56 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 118.925 0.784 . . . . 48.28 112.524 -179.757 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -108.03 -6.29 16.62 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.103 0.779 . . . . 43.03 113.103 173.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 160.59 170.97 25.9 Favored Glycine 0 CA--C 1.508 -0.384 0 CA-C-N 119.056 0.844 . . . . 41.19 111.178 177.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -67.03 147.71 52.86 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 114.897 -0.652 . . . . 65.63 110.811 174.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.9 mt -121.67 130.05 74.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 115.415 -0.812 . . . . 47.78 109.295 -170.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 31.6 mtp180 -86.14 -53.96 4.75 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 123.637 0.775 . . . . 61.48 111.575 179.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . . . -135.31 149.26 49.72 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 108.237 -1.023 . . . . 44.15 108.237 -178.749 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' CYS . . . . . 0.509 ' SG ' HD23 ' A' ' 37' ' ' LEU . 41.3 t -155.95 132.42 10.24 Favored 'General case' 0 C--O 1.241 0.648 0 N-CA-C 108.707 -0.849 . . . . 45.19 108.707 -178.012 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . . . -146.63 147.85 31.47 Favored 'General case' 0 CA--C 1.519 -0.235 0 O-C-N 123.613 0.571 . . . . 36.28 109.774 -178.039 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 42.2 t -119.41 139.78 45.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 C-N-CA 125.136 1.374 . . . . 37.65 108.14 172.86 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' MET . . . . . 0.463 ' SD ' ' HB1' ' B' ' 96' ' ' ALA . 19.6 ttp -128.63 126.6 40.55 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.07 -0.715 . . . . 44.2 109.07 175.225 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -76.62 146.32 38.31 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.312 0.577 . . . . 43.47 110.31 -177.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -85.23 112.4 43.41 Favored Pre-proline 0 C--O 1.241 0.628 0 N-CA-C 106.604 -1.628 . . . . 54.76 106.604 166.071 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -87.04 6.69 5.18 Favored 'Trans proline' 0 C--N 1.328 -0.541 0 N-CA-C 114.998 1.115 . . . . 46.84 114.998 -174.571 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' THR . . . . . 0.439 HG23 HG23 ' A' ' 58' ' ' THR . 7.5 t -51.92 -41.77 62.27 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 119.408 1.004 . . . . 56.98 110.041 174.168 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' THR . . . . . 0.439 HG23 HG23 ' A' ' 57' ' ' THR . 1.3 p -132.37 165.04 25.16 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 107.443 -1.317 . . . . 50.21 107.443 172.977 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . . . -77.15 -3.98 42.21 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.963 -0.562 . . . . 42.45 111.932 166.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 87.6 mmt-85 -127.11 39.91 3.82 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.387 1.075 . . . . 46.93 110.219 -177.579 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' SER . . . . . 0.781 ' OG ' ' O ' ' A' ' 301' ' ' HOH . 0.9 OUTLIER -111.86 151.34 29.23 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 121.551 -0.718 . . . . 56.63 109.207 -175.909 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.1 mtm180 -70.91 141.31 51.16 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.856 -0.611 . . . . 54.03 110.033 -177.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -107.31 -169.41 22.08 Favored Glycine 0 N--CA 1.441 -1.004 0 CA-C-O 121.972 0.762 . . . . 34.96 112.911 -179.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -133.99 146.49 50.46 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 108.411 -0.959 . . . . 55.56 108.411 -170.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -127.55 153.82 19.36 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 109.278 -1.529 . . . . 30.18 109.278 -174.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -134.19 128.51 34.15 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 107.649 -1.241 . . . . 43.05 107.649 174.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.7 t -127.55 142.43 43.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 N-CA-C 108.198 -1.038 . . . . 44.16 108.198 178.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 31.8 m -126.52 104.45 8.14 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 105.582 -2.007 . . . . 41.07 105.582 176.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -77.42 150.25 35.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.42 0.629 . . . . 38.16 110.37 -177.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.23 -49.66 47.8 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.41 -0.814 . . . . 41.92 110.855 173.401 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -93.81 116.05 65.94 Favored Pre-proline 0 C--O 1.237 0.412 0 N-CA-C 109.41 -0.589 . . . . 42.82 109.41 176.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -61.89 -12.36 25.4 Favored 'Trans proline' 0 CA--C 1.511 -0.648 0 CA-C-N 119.424 0.83 . . . . 46.21 114.255 176.799 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.77 -12.08 60.86 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 118.893 0.77 . . . . 43.55 112.372 169.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.5 m -66.03 -35.83 81.62 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 118.352 0.524 . . . . 45.17 111.097 178.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 70.9 t -53.34 -46.2 57.38 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 CA-C-O 121.519 0.676 . . . . 38.48 110.723 173.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . . . -61.81 -44.07 97.58 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 119.532 -0.867 . . . . 36.97 110.331 -179.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . . . -57.32 -41.92 80.85 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.013 -0.675 . . . . 40.9 110.831 178.161 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 66.4 t -63.46 -46.09 96.13 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 CA-C-O 121.191 0.52 . . . . 34.83 110.948 179.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 83.7 mt -72.52 -20.34 61.37 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 118.662 -1.215 . . . . 42.1 111.98 -172.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -74.11 -13.94 80.78 Favored Glycine 0 C--N 1.335 0.476 0 CA-C-O 118.867 -0.963 . . . . 44.88 114.517 179.34 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -74.67 141.86 76.5 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 118.279 1.04 . . . . 64.86 109.884 172.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -77.33 -34.9 1.85 Allowed 'Trans proline' 0 C--O 1.235 0.349 0 N-CA-C 114.192 0.805 . . . . 48.55 114.192 169.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -123.71 140.6 52.83 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 118.673 0.669 . . . . 49.37 111.353 -176.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -128.02 129.19 46.31 Favored 'General case' 0 C--N 1.34 0.193 0 N-CA-C 109.325 -0.62 . . . . 32.1 109.325 170.03 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -133.44 135.96 44.9 Favored 'General case' 0 CA--C 1.518 -0.276 0 C-N-CA 123.571 0.748 . . . . 50.14 109.834 -178.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 45.8 tp -148.22 132.07 17.05 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 107.257 -1.386 . . . . 38.68 107.257 -178.749 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 47.88 35.84 5.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.464 0.65 . . . . 42.14 111.278 -179.139 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.1 t 74.7 13.34 3.56 Favored 'General case' 0 C--O 1.256 1.44 0 C-N-CA 127.334 2.254 . . . . 55.67 113.584 174.331 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 8.7 mmmt -117.04 144.24 44.84 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.2 -1.037 . . . . 48.04 108.2 177.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.6 m -75.65 115.25 15.13 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.536 -0.542 . . . . 35.16 109.536 173.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 40.9 pt -101.65 160.93 3.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 122.063 0.935 . . . . 36.52 109.334 -179.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -129.43 81.91 68.93 Favored Pre-proline 0 C--O 1.238 0.485 0 O-C-N 121.853 -0.53 . . . . 57.49 109.914 -163.419 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -77.96 131.89 11.36 Favored 'Trans proline' 0 CA--C 1.52 -0.177 0 C-N-CA 120.077 0.518 . . . . 33.36 111.195 -176.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . . . -130.68 149.06 52.51 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.953 -0.758 . . . . 39.68 108.953 -179.42 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 97.5 t -58.53 132.51 23.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 N-CA-C 109.078 -0.712 . . . . 41.64 109.078 169.416 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -80.78 140.04 35.72 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.843 -0.429 . . . . 44.5 109.843 -177.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -130.66 72.76 81.72 Favored Pre-proline 0 C--O 1.238 0.454 0 N-CA-C 108.285 -1.006 . . . . 48.06 108.285 -177.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -82.87 148.8 13.81 Favored 'Trans proline' 0 C--N 1.325 -0.674 0 CA-C-O 121.512 0.547 . . . . 46.72 111.012 -176.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -138.18 111.33 7.89 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.154 -1.425 . . . . 47.59 107.154 173.244 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.549 0 CA-C-O 120.648 0.261 . . . . 42.54 111.655 177.566 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.286 0 CA-C-O 120.988 0.423 . . . . 55.48 110.547 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.21 158.45 15.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.792 0.806 . . . . 57.54 110.928 -171.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.49 14.45 80.06 Favored Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 114.877 -1.056 . . . . 39.81 115.574 178.839 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 8.3 mttp -108.0 146.0 33.12 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 118.602 1.201 . . . . 56.7 112.477 -172.024 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 42.3 mtp -144.45 158.86 43.55 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 114.94 -1.027 . . . . 30.17 109.946 177.319 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -135.4 156.82 48.29 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 107.411 -1.329 . . . . 35.02 107.411 173.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 3.5 mp -135.26 127.58 47.44 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.604 0 N-CA-C 105.551 -2.018 . . . . 31.6 105.551 -175.023 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -101.06 169.47 20.89 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-O 122.552 1.084 . . . . 39.51 111.668 171.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' GLY . . . . . 0.443 ' HA2' ' HB3' ' B' ' 62' ' ' ARG . . . 79.85 25.65 57.67 Favored Glycine 0 C--O 1.238 0.362 0 N-CA-C 116.111 1.205 . . . . 41.23 116.111 175.251 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 28' ' ' LEU . . . . . 0.452 ' O ' ' HA ' ' B' ' 62' ' ' ARG . 73.5 mt -79.78 131.77 35.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 118.651 1.225 . . . . 38.41 109.56 -178.2 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 13.3 p -73.12 162.76 29.06 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-O 122.076 0.941 . . . . 48.44 110.047 174.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 89.4 m95 -60.43 -27.23 67.32 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 114.876 -1.056 . . . . 46.16 110.921 171.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -52.92 -47.14 68.21 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.264 0.554 . . . . 66.09 110.863 176.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 55.9 m -71.28 118.22 13.8 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 121.185 0.517 . . . . 46.27 110.308 -169.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.82 157.77 81.41 Favored Pre-proline 0 C--N 1.31 -1.124 0 C-N-CA 125.122 1.369 . . . . 42.17 110.002 173.962 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.69 -36.78 95.51 Favored 'Trans proline' 0 C--O 1.238 0.517 0 C-N-CA 118.745 -0.37 . . . . 38.18 112.178 166.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -67.28 -35.77 80.19 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.542 -0.463 . . . . 61.2 111.321 -179.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -65.82 -42.86 90.08 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 120.448 0.166 . . . . 47.33 111.156 177.044 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' LEU . . . . . 0.679 HD23 ' SG ' ' B' ' 50' ' ' CYS . 13.6 tp -59.78 -46.52 88.95 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.086 0.47 . . . . 33.55 110.911 176.18 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -61.67 -47.52 84.99 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.864 0.364 . . . . 59.1 110.736 178.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -55.87 -41.43 74.37 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 120.471 -0.492 . . . . 39.63 111.261 175.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -62.67 -47.79 82.13 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 119.254 -0.978 . . . . 31.36 111.394 -178.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -86.03 -19.63 30.04 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 112.409 0.522 . . . . 36.95 112.409 -169.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 78.8 p -62.05 -18.95 62.28 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 118.02 0.373 . . . . 38.19 111.777 175.082 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? -68.7 -18.43 64.25 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 118.949 -1.1 . . . . 44.18 111.161 178.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -95.53 -3.23 46.98 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 113.101 0.778 . . . . 33.06 113.101 176.587 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 149.82 169.37 16.02 Favored Glycine 0 C--N 1.319 -0.412 0 N-CA-C 110.232 -1.147 . . . . 34.41 110.232 177.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -74.4 140.87 45.02 Favored 'General case' 0 C--O 1.242 0.677 0 C-N-CA 118.785 -1.166 . . . . 36.02 109.905 -178.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 6.1 mt -107.58 130.94 59.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 125.875 1.67 . . . . 39.44 109.489 -171.596 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . . . -81.59 -46.89 13.76 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.985 0.421 . . . . 43.47 110.644 177.952 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . . . -136.44 152.66 50.82 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.351 -0.981 . . . . 39.5 108.351 -175.916 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' CYS . . . . . 0.679 ' SG ' HD23 ' B' ' 37' ' ' LEU . 53.5 t -155.81 138.33 14.99 Favored 'General case' 0 CA--C 1.511 -0.55 0 N-CA-C 106.7 -1.593 . . . . 42.23 106.7 177.18 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 2.0 ttp -160.94 142.7 12.14 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 107.303 -1.369 . . . . 68.59 107.303 -163.503 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 48.7 t -125.44 138.88 52.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 107.317 -1.364 . . . . 38.67 107.317 177.587 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 21.1 tpp -117.01 110.53 18.36 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 107.876 -1.157 . . . . 55.5 107.876 175.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -86.14 159.9 19.39 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 119.93 -0.708 . . . . 45.13 109.883 -176.186 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -122.0 91.81 48.85 Favored Pre-proline 0 C--O 1.243 0.749 0 N-CA-C 108.778 -0.823 . . . . 55.13 108.778 171.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo . . . . . 0 CA--C 1.534 0.517 0 C-N-CA 121.959 1.773 . . . . 60.16 113.492 179.576 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.436 0 N-CA-C 111.14 0.052 . . . . 60.62 111.14 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . . . -130.05 51.2 2.11 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.34 1.056 . . . . 56.01 109.833 174.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 1.2 m -159.34 -44.7 0.05 Allowed 'General case' 0 C--O 1.237 0.427 0 N-CA-C 118.638 2.829 . . . . 60.65 118.638 -173.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' ARG . . . . . 0.452 ' HA ' ' O ' ' B' ' 28' ' ' LEU . . . -158.04 110.99 2.4 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 120.559 1.527 . . . . 56.85 114.889 -170.861 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -104.69 -172.87 24.68 Favored Glycine 0 CA--C 1.526 0.762 0 CA-C-O 121.916 0.731 . . . . 40.82 112.763 173.581 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -119.87 143.52 47.88 Favored 'General case' 0 C--O 1.227 -0.113 0 C-N-CA 123.446 0.698 . . . . 44.93 111.711 -169.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -125.96 145.82 15.91 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 110.332 -1.107 . . . . 31.11 110.332 -178.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -132.88 125.55 30.19 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.031 -0.584 . . . . 36.57 109.999 -174.331 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 38.6 t -127.42 137.94 56.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 108.812 -0.81 . . . . 36.17 108.812 -176.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 55.4 m -117.5 112.98 21.34 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 106.658 -1.608 . . . . 37.74 106.658 175.059 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -80.18 145.29 32.37 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.532 0.682 . . . . 35.77 110.668 175.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.11 -49.36 71.92 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-N 114.567 -1.197 . . . . 41.24 111.698 169.81 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -116.47 120.76 34.23 Favored Pre-proline 0 C--O 1.246 0.901 0 C-N-CA 122.777 0.431 . . . . 67.09 111.228 -174.613 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_exo -47.11 -32.23 13.19 Favored 'Trans proline' 0 C--O 1.236 0.398 0 N-CA-C 114.745 1.017 . . . . 48.91 114.745 177.623 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.26 -32.96 11.78 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 119.06 0.845 . . . . 40.51 112.216 175.947 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 67.5 m -62.66 -30.34 71.31 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 118.835 -1.146 . . . . 32.36 111.552 -177.74 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 72.6 t -61.82 -38.43 80.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 C-N-CA 119.839 -0.745 . . . . 33.07 109.932 178.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -65.17 -33.98 77.31 Favored 'General case' 0 C--N 1.348 0.531 0 O-C-N 122.081 -0.387 . . . . 40.75 111.471 -179.216 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -70.71 -39.29 73.51 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 120.925 -0.31 . . . . 50.24 111.618 178.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 58.6 t -60.55 -47.36 93.11 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 C-N-CA 120.119 -0.632 . . . . 29.61 110.473 171.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 98.9 mt -76.8 -20.73 56.06 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 118.454 -1.299 . . . . 34.82 113.142 -173.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.42 -10.63 85.74 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 115.374 0.909 . . . . 34.3 115.374 172.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -90.53 119.35 69.1 Favored Pre-proline 0 N--CA 1.468 0.429 0 CA-C-N 118.295 1.047 . . . . 38.93 108.39 166.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -81.09 -28.02 2.66 Favored 'Trans proline' 0 C--N 1.352 0.733 0 N-CA-C 115.05 1.135 . . . . 40.65 115.05 -167.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -117.48 130.73 56.63 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 118.766 0.712 . . . . 37.55 111.118 178.896 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -126.73 147.13 50.0 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.495 -0.558 . . . . 33.17 109.495 177.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -145.93 140.72 27.14 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.592 -0.892 . . . . 56.3 108.592 -178.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 32.0 tp -147.98 115.93 6.44 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 109.838 -0.43 . . . . 31.92 109.838 -178.953 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 56.18 44.98 24.16 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.671 0.748 . . . . 38.11 111.304 176.083 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 3.4 m 88.63 -11.37 0.45 Allowed 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 126.592 1.957 . . . . 44.59 113.189 174.113 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . . . -106.76 135.34 48.46 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 119.441 1.019 . . . . 37.45 110.846 -175.51 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 90' ' ' THR . . . . . . . . . . . . . 32.4 m -68.99 133.95 48.83 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.798 -1.186 . . . . 33.75 107.798 168.622 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 45.9 pt -125.52 158.19 34.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 107.133 -1.432 . . . . 27.22 107.133 -177.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -135.29 80.35 46.76 Favored Pre-proline 0 N--CA 1.471 0.611 0 N-CA-C 108.92 -0.77 . . . . 49.94 108.92 -169.792 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -63.93 143.91 86.64 Favored 'Trans proline' 0 C--N 1.333 -0.255 0 N-CA-C 109.995 -0.809 . . . . 32.05 109.995 -173.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 10.0 mttp -136.54 152.34 50.39 Favored 'General case' 0 C--N 1.341 0.237 0 C-N-CA 123.24 0.616 . . . . 49.89 110.146 -175.66 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 7.1 m -73.36 143.24 13.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 108.51 -0.922 . . . . 34.79 108.51 178.495 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 96' ' ' ALA . . . . . 0.463 ' HB1' ' SD ' ' A' ' 53' ' ' MET . . . -116.77 127.49 54.4 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 108.313 -0.995 . . . . 40.42 108.313 -173.618 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 97' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -120.86 78.03 30.8 Favored Pre-proline 0 C--O 1.236 0.388 0 N-CA-C 106.047 -1.835 . . . . 53.13 106.047 -177.694 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -75.53 140.74 24.38 Favored 'Trans proline' 0 C--N 1.33 -0.415 0 N-CA-C 109.591 -0.965 . . . . 43.53 109.591 -179.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . . . -138.18 115.08 10.76 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 107.966 -1.124 . . . . 43.49 107.966 -173.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.415 0 O-C-N 123.348 0.405 . . . . 48.27 111.655 -170.524 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' PO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . 0.781 ' O ' ' OG ' ' A' ' 61' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 121.758 0.79 . . . . 50.93 111.246 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.76 153.51 39.97 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.804 0.811 . . . . 53.67 111.258 -170.334 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.51 -6.43 73.09 Favored Glycine 0 N--CA 1.442 -0.964 0 CA-C-N 114.98 -1.009 . . . . 44.85 114.845 174.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -91.32 142.06 28.1 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-N 118.131 0.966 . . . . 60.48 111.005 -174.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 42.8 mtp -139.23 149.17 44.03 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.626 -0.715 . . . . 33.5 110.3 177.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -114.46 128.91 56.58 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 106.324 -1.732 . . . . 46.16 106.324 176.282 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.4 mt -121.02 122.71 68.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 N-CA-C 109.153 -0.684 . . . . 41.72 109.153 -172.575 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -100.59 159.94 19.06 Favored Glycine 0 N--CA 1.441 -0.999 0 CA-C-O 121.814 0.675 . . . . 33.8 112.898 175.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.21 15.72 60.24 Favored Glycine 0 C--O 1.241 0.587 0 N-CA-C 115.923 1.129 . . . . 40.28 115.923 168.81 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.0 mt -63.28 142.19 58.48 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 118.07 0.935 . . . . 35.61 109.863 -179.675 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -53.79 157.96 2.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.123 -0.489 . . . . 40.61 110.369 170.013 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 52.3 p-90 -67.57 -20.95 65.45 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 119.375 -0.93 . . . . 41.48 111.165 176.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -95.28 -6.25 41.8 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.455 0.909 . . . . 47.48 113.455 -175.929 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 36.8 m -66.93 120.71 14.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 118.596 0.634 . . . . 37.59 109.502 -179.042 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 96.9 p -85.06 163.81 44.17 Favored Pre-proline 0 CA--C 1.535 0.398 0 C-N-CA 125.967 1.707 . . . . 37.35 111.284 173.443 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -60.12 -31.78 93.74 Favored 'Trans proline' 0 CA--C 1.509 -0.773 0 N-CA-C 114.423 0.893 . . . . 42.53 114.423 170.407 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . . . -74.37 -29.36 61.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 120.463 -1.398 . . . . 38.15 111.202 176.088 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 75.6 m -67.71 -38.81 84.12 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 117.775 -1.57 . . . . 46.08 110.912 171.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.509 HD23 ' SG ' ' A' ' 50' ' ' CYS . 22.6 tp -66.1 -45.34 81.52 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.038 -0.665 . . . . 37.52 110.263 177.437 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.3 ttp85 -64.7 -41.55 95.94 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 119.471 -0.892 . . . . 54.48 111.197 179.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -64.36 -41.52 96.68 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 119.65 -0.82 . . . . 55.69 111.585 -174.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -64.92 -47.01 79.26 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-O 121.382 0.61 . . . . 40.83 111.392 177.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -81.49 -17.48 48.49 Favored 'General case' 0 CA--C 1.515 -0.399 0 C-N-CA 118.387 -1.325 . . . . 40.81 112.727 -171.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 83.9 p -58.08 -18.22 23.32 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 120.226 -0.589 . . . . 50.2 112.171 171.292 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . . . -72.15 -8.06 52.56 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 118.925 0.784 . . . . 48.28 112.524 -179.757 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -108.03 -6.29 16.62 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.103 0.779 . . . . 43.03 113.103 173.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 160.59 170.97 25.9 Favored Glycine 0 CA--C 1.508 -0.384 0 CA-C-N 119.056 0.844 . . . . 41.19 111.178 177.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -67.03 147.71 52.86 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 114.897 -0.652 . . . . 65.63 110.811 174.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.9 mt -121.67 130.05 74.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 115.415 -0.812 . . . . 47.78 109.295 -170.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 31.6 mtp180 -86.14 -53.96 4.75 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 123.637 0.775 . . . . 61.48 111.575 179.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . . . -135.31 149.26 49.72 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 108.237 -1.023 . . . . 44.15 108.237 -178.749 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.509 ' SG ' HD23 ' A' ' 37' ' ' LEU . 41.3 t -155.95 132.42 10.24 Favored 'General case' 0 C--O 1.241 0.648 0 N-CA-C 108.707 -0.849 . . . . 45.19 108.707 -178.012 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . . . -146.63 147.85 31.47 Favored 'General case' 0 CA--C 1.519 -0.235 0 O-C-N 123.613 0.571 . . . . 36.28 109.774 -178.039 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 42.2 t -119.41 139.78 45.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 C-N-CA 125.136 1.374 . . . . 37.65 108.14 172.86 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' MET . . . . . 0.463 ' SD ' ' HB1' ' B' ' 96' ' ' ALA . 19.6 ttp -128.63 126.6 40.55 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.07 -0.715 . . . . 44.2 109.07 175.225 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -76.62 146.32 38.31 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.312 0.577 . . . . 43.47 110.31 -177.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -85.23 112.4 43.41 Favored Pre-proline 0 C--O 1.241 0.628 0 N-CA-C 106.604 -1.628 . . . . 54.76 106.604 166.071 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -87.04 6.69 5.18 Favored 'Trans proline' 0 C--N 1.328 -0.541 0 N-CA-C 114.998 1.115 . . . . 46.84 114.998 -174.571 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' THR . . . . . 0.439 HG23 HG23 ' A' ' 58' ' ' THR . 7.5 t -51.92 -41.77 62.27 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 119.408 1.004 . . . . 56.98 110.041 174.168 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' THR . . . . . 0.439 HG23 HG23 ' A' ' 57' ' ' THR . 1.3 p -132.37 165.04 25.16 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 107.443 -1.317 . . . . 50.21 107.443 172.977 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . . . -77.15 -3.98 42.21 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.963 -0.562 . . . . 42.45 111.932 166.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 87.6 mmt-85 -127.11 39.91 3.82 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.387 1.075 . . . . 46.93 110.219 -177.579 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' SER . . . . . 0.781 ' OG ' ' O ' ' A' ' 301' ' ' HOH . 0.9 OUTLIER -111.86 151.34 29.23 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 121.551 -0.718 . . . . 56.63 109.207 -175.909 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.1 mtm180 -70.91 141.31 51.16 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.856 -0.611 . . . . 54.03 110.033 -177.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -107.31 -169.41 22.08 Favored Glycine 0 N--CA 1.441 -1.004 0 CA-C-O 121.972 0.762 . . . . 34.96 112.911 -179.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -133.99 146.49 50.46 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 108.411 -0.959 . . . . 55.56 108.411 -170.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -127.55 153.82 19.36 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 109.278 -1.529 . . . . 30.18 109.278 -174.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -134.19 128.51 34.15 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 107.649 -1.241 . . . . 43.05 107.649 174.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.7 t -127.55 142.43 43.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 N-CA-C 108.198 -1.038 . . . . 44.16 108.198 178.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 31.8 m -126.52 104.45 8.14 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 105.582 -2.007 . . . . 41.07 105.582 176.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -77.42 150.25 35.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.42 0.629 . . . . 38.16 110.37 -177.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.23 -49.66 47.8 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.41 -0.814 . . . . 41.92 110.855 173.401 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -93.81 116.05 65.94 Favored Pre-proline 0 C--O 1.237 0.412 0 N-CA-C 109.41 -0.589 . . . . 42.82 109.41 176.33 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -61.89 -12.36 25.4 Favored 'Trans proline' 0 CA--C 1.511 -0.648 0 CA-C-N 119.424 0.83 . . . . 46.21 114.255 176.799 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.77 -12.08 60.86 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 118.893 0.77 . . . . 43.55 112.372 169.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.5 m -66.03 -35.83 81.62 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 118.352 0.524 . . . . 45.17 111.097 178.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 70.9 t -53.34 -46.2 57.38 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 CA-C-O 121.519 0.676 . . . . 38.48 110.723 173.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . . . -61.81 -44.07 97.58 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 119.532 -0.867 . . . . 36.97 110.331 -179.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . . . -57.32 -41.92 80.85 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.013 -0.675 . . . . 40.9 110.831 178.161 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 66.4 t -63.46 -46.09 96.13 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 CA-C-O 121.191 0.52 . . . . 34.83 110.948 179.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 83.7 mt -72.52 -20.34 61.37 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 118.662 -1.215 . . . . 42.1 111.98 -172.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -74.11 -13.94 80.78 Favored Glycine 0 C--N 1.335 0.476 0 CA-C-O 118.867 -0.963 . . . . 44.88 114.517 179.34 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -74.67 141.86 76.5 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 118.279 1.04 . . . . 64.86 109.884 172.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -77.33 -34.9 1.85 Allowed 'Trans proline' 0 C--O 1.235 0.349 0 N-CA-C 114.192 0.805 . . . . 48.55 114.192 169.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -123.71 140.6 52.83 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 118.673 0.669 . . . . 49.37 111.353 -176.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -128.02 129.19 46.31 Favored 'General case' 0 C--N 1.34 0.193 0 N-CA-C 109.325 -0.62 . . . . 32.1 109.325 170.03 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -133.44 135.96 44.9 Favored 'General case' 0 CA--C 1.518 -0.276 0 C-N-CA 123.571 0.748 . . . . 50.14 109.834 -178.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 45.8 tp -148.22 132.07 17.05 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 107.257 -1.386 . . . . 38.68 107.257 -178.749 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 47.88 35.84 5.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.464 0.65 . . . . 42.14 111.278 -179.139 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.1 t 74.7 13.34 3.56 Favored 'General case' 0 C--O 1.256 1.44 0 C-N-CA 127.334 2.254 . . . . 55.67 113.584 174.331 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 8.7 mmmt -117.04 144.24 44.84 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.2 -1.037 . . . . 48.04 108.2 177.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.6 m -75.65 115.25 15.13 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.536 -0.542 . . . . 35.16 109.536 173.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 40.9 pt -101.65 160.93 3.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 122.063 0.935 . . . . 36.52 109.334 -179.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -129.43 81.91 68.93 Favored Pre-proline 0 C--O 1.238 0.485 0 O-C-N 121.853 -0.53 . . . . 57.49 109.914 -163.419 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -77.96 131.89 11.36 Favored 'Trans proline' 0 CA--C 1.52 -0.177 0 C-N-CA 120.077 0.518 . . . . 33.36 111.195 -176.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . . . -130.68 149.06 52.51 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.953 -0.758 . . . . 39.68 108.953 -179.42 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 97.5 t -58.53 132.51 23.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 N-CA-C 109.078 -0.712 . . . . 41.64 109.078 169.416 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -80.78 140.04 35.72 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.843 -0.429 . . . . 44.5 109.843 -177.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -130.66 72.76 81.72 Favored Pre-proline 0 C--O 1.238 0.454 0 N-CA-C 108.285 -1.006 . . . . 48.06 108.285 -177.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -82.87 148.8 13.81 Favored 'Trans proline' 0 C--N 1.325 -0.674 0 CA-C-O 121.512 0.547 . . . . 46.72 111.012 -176.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -138.18 111.33 7.89 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.154 -1.425 . . . . 47.59 107.154 173.244 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.549 0 CA-C-O 120.648 0.261 . . . . 42.54 111.655 177.566 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.286 0 CA-C-O 120.988 0.423 . . . . 55.48 110.547 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.21 158.45 15.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.792 0.806 . . . . 57.54 110.928 -171.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.49 14.45 80.06 Favored Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 114.877 -1.056 . . . . 39.81 115.574 178.839 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 8.3 mttp -108.0 146.0 33.12 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 118.602 1.201 . . . . 56.7 112.477 -172.024 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 42.3 mtp -144.45 158.86 43.55 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 114.94 -1.027 . . . . 30.17 109.946 177.319 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -135.4 156.82 48.29 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 107.411 -1.329 . . . . 35.02 107.411 173.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 3.5 mp -135.26 127.58 47.44 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.604 0 N-CA-C 105.551 -2.018 . . . . 31.6 105.551 -175.023 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -101.06 169.47 20.89 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-O 122.552 1.084 . . . . 39.51 111.668 171.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' GLY . . . . . 0.443 ' HA2' ' HB3' ' B' ' 62' ' ' ARG . . . 79.85 25.65 57.67 Favored Glycine 0 C--O 1.238 0.362 0 N-CA-C 116.111 1.205 . . . . 41.23 116.111 175.251 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.452 ' O ' ' HA ' ' B' ' 62' ' ' ARG . 73.5 mt -79.78 131.77 35.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 118.651 1.225 . . . . 38.41 109.56 -178.2 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 13.3 p -73.12 162.76 29.06 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-O 122.076 0.941 . . . . 48.44 110.047 174.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 89.4 m95 -60.43 -27.23 67.32 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 114.876 -1.056 . . . . 46.16 110.921 171.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -52.92 -47.14 68.21 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.264 0.554 . . . . 66.09 110.863 176.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 55.9 m -71.28 118.22 13.8 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 121.185 0.517 . . . . 46.27 110.308 -169.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.82 157.77 81.41 Favored Pre-proline 0 C--N 1.31 -1.124 0 C-N-CA 125.122 1.369 . . . . 42.17 110.002 173.962 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.69 -36.78 95.51 Favored 'Trans proline' 0 C--O 1.238 0.517 0 C-N-CA 118.745 -0.37 . . . . 38.18 112.178 166.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -67.28 -35.77 80.19 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.542 -0.463 . . . . 61.2 111.321 -179.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -65.82 -42.86 90.08 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 120.448 0.166 . . . . 47.33 111.156 177.044 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.679 HD23 ' SG ' ' B' ' 50' ' ' CYS . 13.6 tp -59.78 -46.52 88.95 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.086 0.47 . . . . 33.55 110.911 176.18 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -61.67 -47.52 84.99 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.864 0.364 . . . . 59.1 110.736 178.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -55.87 -41.43 74.37 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 120.471 -0.492 . . . . 39.63 111.261 175.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -62.67 -47.79 82.13 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 119.254 -0.978 . . . . 31.36 111.394 -178.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -86.03 -19.63 30.04 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 112.409 0.522 . . . . 36.95 112.409 -169.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 78.8 p -62.05 -18.95 62.28 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 118.02 0.373 . . . . 38.19 111.777 175.082 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? -68.7 -18.43 64.25 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 118.949 -1.1 . . . . 44.18 111.161 178.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -95.53 -3.23 46.98 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 113.101 0.778 . . . . 33.06 113.101 176.587 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 149.82 169.37 16.02 Favored Glycine 0 C--N 1.319 -0.412 0 N-CA-C 110.232 -1.147 . . . . 34.41 110.232 177.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -74.4 140.87 45.02 Favored 'General case' 0 C--O 1.242 0.677 0 C-N-CA 118.785 -1.166 . . . . 36.02 109.905 -178.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 6.1 mt -107.58 130.94 59.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 125.875 1.67 . . . . 39.44 109.489 -171.596 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . . . -81.59 -46.89 13.76 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.985 0.421 . . . . 43.47 110.644 177.952 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . . . -136.44 152.66 50.82 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.351 -0.981 . . . . 39.5 108.351 -175.916 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' CYS . . . . . 0.679 ' SG ' HD23 ' B' ' 37' ' ' LEU . 53.5 t -155.81 138.33 14.99 Favored 'General case' 0 CA--C 1.511 -0.55 0 N-CA-C 106.7 -1.593 . . . . 42.23 106.7 177.18 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 2.0 ttp -160.94 142.7 12.14 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 107.303 -1.369 . . . . 68.59 107.303 -163.503 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 48.7 t -125.44 138.88 52.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 107.317 -1.364 . . . . 38.67 107.317 177.587 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' MET . . . . . . . . . . . . . 21.1 tpp -117.01 110.53 18.36 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 107.876 -1.157 . . . . 55.5 107.876 175.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . . . -86.14 159.9 19.39 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 119.93 -0.708 . . . . 45.13 109.883 -176.186 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -122.0 91.81 48.85 Favored Pre-proline 0 C--O 1.243 0.749 0 N-CA-C 108.778 -0.823 . . . . 55.13 108.778 171.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo . . . . . 0 CA--C 1.534 0.517 0 C-N-CA 121.959 1.773 . . . . 60.16 113.492 179.576 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.436 0 N-CA-C 111.14 0.052 . . . . 60.62 111.14 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . . . -130.05 51.2 2.11 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.34 1.056 . . . . 56.01 109.833 174.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 1.2 m -159.34 -44.7 0.05 Allowed 'General case' 0 C--O 1.237 0.427 0 N-CA-C 118.638 2.829 . . . . 60.65 118.638 -173.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.452 ' HA ' ' O ' ' B' ' 28' ' ' LEU . . . -158.04 110.99 2.4 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 120.559 1.527 . . . . 56.85 114.889 -170.861 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -104.69 -172.87 24.68 Favored Glycine 0 CA--C 1.526 0.762 0 CA-C-O 121.916 0.731 . . . . 40.82 112.763 173.581 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -119.87 143.52 47.88 Favored 'General case' 0 C--O 1.227 -0.113 0 C-N-CA 123.446 0.698 . . . . 44.93 111.711 -169.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -125.96 145.82 15.91 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 110.332 -1.107 . . . . 31.11 110.332 -178.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -132.88 125.55 30.19 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.031 -0.584 . . . . 36.57 109.999 -174.331 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 38.6 t -127.42 137.94 56.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 108.812 -0.81 . . . . 36.17 108.812 -176.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 55.4 m -117.5 112.98 21.34 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 106.658 -1.608 . . . . 37.74 106.658 175.059 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -80.18 145.29 32.37 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.532 0.682 . . . . 35.77 110.668 175.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.11 -49.36 71.92 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-N 114.567 -1.197 . . . . 41.24 111.698 169.81 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -116.47 120.76 34.23 Favored Pre-proline 0 C--O 1.246 0.901 0 C-N-CA 122.777 0.431 . . . . 67.09 111.228 -174.613 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_exo -47.11 -32.23 13.19 Favored 'Trans proline' 0 C--O 1.236 0.398 0 N-CA-C 114.745 1.017 . . . . 48.91 114.745 177.623 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.26 -32.96 11.78 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 119.06 0.845 . . . . 40.51 112.216 175.947 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 67.5 m -62.66 -30.34 71.31 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 118.835 -1.146 . . . . 32.36 111.552 -177.74 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 72.6 t -61.82 -38.43 80.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 C-N-CA 119.839 -0.745 . . . . 33.07 109.932 178.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -65.17 -33.98 77.31 Favored 'General case' 0 C--N 1.348 0.531 0 O-C-N 122.081 -0.387 . . . . 40.75 111.471 -179.216 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -70.71 -39.29 73.51 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 120.925 -0.31 . . . . 50.24 111.618 178.267 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 58.6 t -60.55 -47.36 93.11 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 C-N-CA 120.119 -0.632 . . . . 29.61 110.473 171.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 98.9 mt -76.8 -20.73 56.06 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 118.454 -1.299 . . . . 34.82 113.142 -173.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.42 -10.63 85.74 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 115.374 0.909 . . . . 34.3 115.374 172.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -90.53 119.35 69.1 Favored Pre-proline 0 N--CA 1.468 0.429 0 CA-C-N 118.295 1.047 . . . . 38.93 108.39 166.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -81.09 -28.02 2.66 Favored 'Trans proline' 0 C--N 1.352 0.733 0 N-CA-C 115.05 1.135 . . . . 40.65 115.05 -167.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -117.48 130.73 56.63 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 118.766 0.712 . . . . 37.55 111.118 178.896 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -126.73 147.13 50.0 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.495 -0.558 . . . . 33.17 109.495 177.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -145.93 140.72 27.14 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.592 -0.892 . . . . 56.3 108.592 -178.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 32.0 tp -147.98 115.93 6.44 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 109.838 -0.43 . . . . 31.92 109.838 -178.953 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 56.18 44.98 24.16 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.671 0.748 . . . . 38.11 111.304 176.083 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 3.4 m 88.63 -11.37 0.45 Allowed 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 126.592 1.957 . . . . 44.59 113.189 174.113 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . . . -106.76 135.34 48.46 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 119.441 1.019 . . . . 37.45 110.846 -175.51 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' THR . . . . . . . . . . . . . 32.4 m -68.99 133.95 48.83 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.798 -1.186 . . . . 33.75 107.798 168.622 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 45.9 pt -125.52 158.19 34.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 107.133 -1.432 . . . . 27.22 107.133 -177.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -135.29 80.35 46.76 Favored Pre-proline 0 N--CA 1.471 0.611 0 N-CA-C 108.92 -0.77 . . . . 49.94 108.92 -169.792 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -63.93 143.91 86.64 Favored 'Trans proline' 0 C--N 1.333 -0.255 0 N-CA-C 109.995 -0.809 . . . . 32.05 109.995 -173.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 10.0 mttp -136.54 152.34 50.39 Favored 'General case' 0 C--N 1.341 0.237 0 C-N-CA 123.24 0.616 . . . . 49.89 110.146 -175.66 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 7.1 m -73.36 143.24 13.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 108.51 -0.922 . . . . 34.79 108.51 178.495 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' ALA . . . . . 0.463 ' HB1' ' SD ' ' A' ' 53' ' ' MET . . . -116.77 127.49 54.4 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 108.313 -0.995 . . . . 40.42 108.313 -173.618 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -120.86 78.03 30.8 Favored Pre-proline 0 C--O 1.236 0.388 0 N-CA-C 106.047 -1.835 . . . . 53.13 106.047 -177.694 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -75.53 140.74 24.38 Favored 'Trans proline' 0 C--N 1.33 -0.415 0 N-CA-C 109.591 -0.965 . . . . 43.53 109.591 -179.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . . . -138.18 115.08 10.76 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 107.966 -1.124 . . . . 43.49 107.966 -173.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.415 0 O-C-N 123.348 0.405 . . . . 48.27 111.655 -170.524 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' PO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.781 ' O ' ' OG ' ' A' ' 61' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_