data_5ji1_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 5ji1 _Structure_validation_residue.Date_analyzed 2017-03-17 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 ' 1' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 121.048 0.452 . . . . 126.11 112.096 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -125.06 39.6 3.94 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.79 -0.819 . . . . 123.98 108.79 -176.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -86.82 83.23 1.6 Allowed Glycine 0 N--CA 1.45 -0.37 0 N-CA-C 117.682 1.833 . . . . 67.77 117.682 -175.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.8 mt -97.37 139.19 33.68 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.336 -0.616 . . . . 53.69 109.336 175.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -109.26 140.76 42.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.915 0.388 . . . . 54.13 110.326 175.295 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.1 m -130.35 155.26 46.65 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.605 -0.887 . . . . 57.65 108.605 178.04 -62.805 73.377 106.486 110.391 2.03 103.832 -166.669 -159.749 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ASP . . . . . 0.405 ' O ' ' OG ' ' A' ' 10' ' ' SER . 14.0 m-20 -102.77 176.64 5.09 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 105.295 -2.113 . . . . 79.64 105.295 168.735 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -66.98 156.41 36.03 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.919 -0.712 . . . . 83.39 109.933 173.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 40.6 m80 65.5 13.47 8.89 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.895 1.072 . . . . 60.59 113.895 -178.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' SER . . . . . 0.405 ' OG ' ' O ' ' A' ' 7' ' ' ASP . 14.3 m -71.19 139.37 50.13 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 107.954 -1.128 . . . . 63.82 107.954 172.495 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.4 m -89.89 84.51 6.23 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 109.129 -0.693 . . . . 57.93 109.129 172.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -138.04 124.29 20.47 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 114.054 1.131 . . . . 47.87 114.054 -174.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 91.2 p -96.68 -18.84 19.41 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.824 0.675 . . . . 73.45 112.824 178.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -80.68 163.98 23.16 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 112.84 0.681 . . . . 59.59 112.84 -176.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.6 t -58.42 111.91 1.39 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.537 -0.756 . . . . 50.5 110.031 178.76 176.012 50.145 79.043 105.371 2.035 103.936 58.74 -167.643 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.2 t -135.14 165.12 26.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.519 0.676 . . . . 53.67 111.063 -174.716 -159.749 -166.669 106.486 103.832 2.03 110.391 73.377 -62.805 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.7 ttt-85 -105.89 123.94 48.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.964 -1.017 . . . . 50.25 110.265 -178.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -113.74 151.15 44.4 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.562 -0.744 . . . . 50.45 110.869 -173.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -73.83 151.18 45.41 Favored 'Trans proline' 0 N--CA 1.464 -0.228 0 O-C-N 122.637 0.809 . . . . 53.81 111.579 -178.275 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 tt -162.97 123.5 2.35 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 106.694 -1.595 . . . . 69.33 106.694 174.076 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.2 m -96.06 123.35 39.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.731 -0.668 . . . . 60.28 110.69 175.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.2 t -91.81 120.93 41.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 107.601 -1.259 . . . . 58.19 107.601 170.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ASP . . . . . 0.968 ' OD2' ' NH1' ' A' ' 37' ' ' ARG . 21.0 t0 -118.06 99.92 7.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.085 -0.507 . . . . 77.89 110.436 -172.926 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -70.47 -38.59 74.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.952 -0.567 . . . . 81.76 112.081 -177.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLU . . . . . 0.539 ' OE1' ' NH2' ' A' ' 37' ' ' ARG . 18.0 tt0 -66.76 -44.7 80.72 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.954 0.353 . . . . 95.54 111.954 -178.436 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.01 -35.03 74.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.404 -0.362 . . . . 129.29 111.083 179.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -64.77 -24.43 67.55 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.858 -0.337 . . . . 116.85 111.439 176.039 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.28 -5.27 48.89 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 117.404 1.722 . . . . 93.12 117.404 -178.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 34.0 m0 -66.7 78.5 0.11 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 117.898 0.849 . . . . 111.23 109.62 173.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -75.72 -13.09 60.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.815 -1.084 . . . . 114.81 111.702 -175.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 -72.58 -13.31 61.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.652 -0.704 . . . . 96.62 112.486 173.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.3 mt -91.07 111.17 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.058 0.456 . . . . 75.02 110.055 176.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.4 mt -74.58 -53.3 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.675 -0.693 . . . . 87.78 111.522 -178.443 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -151.36 142.38 15.25 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 79.51 110.163 179.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -82.01 147.1 66.58 Favored 'Cis proline' 0 C--N 1.344 0.336 0 O-C-N 122.609 0.794 . . . . 65.05 112.074 -0.43 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -65.58 -35.72 81.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.611 0.719 . . . . 86.35 109.422 178.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ARG . . . . . 0.968 ' NH1' ' OD2' ' A' ' 23' ' ' ASP . 6.2 ptp180 -154.4 147.65 24.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.584 -1.189 . . . . 87.68 107.97 -174.084 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -154.24 162.22 41.32 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.814 -0.754 . . . . 64.25 111.933 177.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -85.76 108.77 18.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.377 -0.828 . . . . 78.58 110.277 -178.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.89 -42.47 8.29 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.917 0.339 . . . . 59.17 111.917 -177.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 22.9 m-20 63.34 171.75 0.16 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.545 0.738 . . . . 53.48 112.772 -176.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -156.69 174.48 15.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.068 -0.514 . . . . 50.53 111.214 174.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 65.1 m -112.22 141.05 46.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 48.75 110.727 -177.601 -57.577 -58.706 -83.373 100.659 2.034 103.712 -78.308 -61.535 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.1 t -158.23 145.6 18.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.832 -0.622 . . . . 56.81 110.783 178.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 140.57 175.86 14.84 Favored Glycine 0 N--CA 1.453 -0.207 0 CA-C-N 116.116 -0.493 . . . . 60.24 111.892 -179.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -99.19 149.54 22.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.011 0.434 . . . . 106.7 111.871 -177.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 71.9 m -123.67 111.26 15.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 81.88 111.218 -179.734 -62.764 -84.637 -78.027 93.119 2.028 114.548 -77.089 -62.092 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . . . -94.28 155.03 17.22 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 113.327 0.862 . . . . 105.51 113.327 179.553 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . . . -160.83 119.75 2.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.765 -0.652 . . . . 141.7 109.854 175.17 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 128.2 111.318 -177.294 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--O 1.236 0.374 0 N-CA-C 112.055 0.391 . . . . 130.5 112.055 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -54.78 -1.69 0.17 Allowed 'Trans proline' 0 CA--C 1.544 0.995 0 C-N-CA 123.71 2.94 . . . . 152.73 118.945 -175.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -94.68 -54.99 3.28 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 120.795 1.634 . . . . 145.83 111.734 167.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 55.81 28.06 51.58 Favored Glycine 0 C--N 1.33 0.223 0 N-CA-C 118.184 2.033 . . . . 106.44 118.184 176.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . . . -112.87 128.89 56.58 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.088 -0.338 . . . . 97.48 110.088 177.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -104.6 -36.3 7.53 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.294 0.479 . . . . 103.67 112.294 -179.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.5 145.05 45.33 Favored Glycine 0 N--CA 1.451 -0.329 0 N-CA-C 111.371 -0.691 . . . . 116.05 111.371 -178.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.27 137.27 50.93 Favored 'Trans proline' 0 C--N 1.342 0.208 0 O-C-N 122.899 0.947 . . . . 110.61 111.281 179.81 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 7.3 m -149.78 143.01 25.11 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.405 0.441 . . . . 119.0 111.666 -178.037 -84.774 -97.709 -131.567 92.512 2.038 90.671 -102.948 -86.12 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 17.5 t -71.86 93.89 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.839 -0.618 . . . . 63.79 110.006 178.31 -167.643 58.74 79.043 103.936 2.035 105.371 50.145 176.012 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 33.4 p -127.17 157.54 71.98 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.059 -0.518 . . . . 62.48 110.354 -176.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -57.97 123.03 12.74 Favored 'Trans proline' 0 C--N 1.342 0.226 0 O-C-N 122.738 0.862 . . . . 56.8 112.881 175.683 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 66.9 p -95.41 -8.28 36.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.293 0.568 . . . . 55.3 109.567 176.467 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.5 tttp -156.6 123.91 5.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.416 -0.811 . . . . 56.3 111.263 173.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 28.1 mtp -124.01 160.5 27.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 71.53 110.2 174.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 35.3 m -134.02 156.62 79.05 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 60.55 111.184 -178.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -82.95 170.32 12.51 Favored 'Trans proline' 0 N--CA 1.465 -0.202 0 O-C-N 122.831 0.911 . . . . 56.43 112.72 179.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 36.2 pt -131.61 151.8 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 108.372 -0.973 . . . . 64.35 108.372 167.612 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -90.85 133.31 35.32 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.529 -0.545 . . . . 86.78 109.529 173.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 83.8 mtp -125.76 146.52 49.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.344 0.593 . . . . 70.86 111.913 179.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.4 tp -118.35 120.61 38.13 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 107.531 -1.285 . . . . 69.64 107.531 175.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -152.05 167.49 28.27 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 114.029 1.122 . . . . 71.89 114.029 -175.481 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -91.86 150.21 21.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.074 -0.966 . . . . 79.81 113.272 -179.014 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -106.52 -0.05 24.26 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.474 -0.784 . . . . 120.05 109.682 157.335 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 84.93 13.57 71.71 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.528 -0.76 . . . . 118.43 113.476 170.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -114.1 29.74 7.79 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 122.449 0.299 . . . . 142.93 110.902 -177.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 57.69 23.98 10.07 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 106.918 -1.512 . . . . 140.08 106.918 -163.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -105.53 105.52 15.59 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 114.925 -1.034 . . . . 108.99 108.759 -177.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 46.6 mt -100.26 130.32 49.64 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 N-CA-C 108.75 -0.833 . . . . 84.44 108.75 178.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 8.1 mt -113.36 128.79 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 80.89 110.974 -174.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -116.25 111.27 19.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.96 -0.564 . . . . 86.91 109.999 176.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -141.13 155.58 25.15 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.634 -0.793 . . . . 66.85 114.72 -173.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt -86.51 113.41 22.41 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.302 -0.629 . . . . 95.56 109.302 174.429 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 31.7 mm -101.36 116.72 63.35 Favored Pre-proline 0 C--N 1.327 -0.377 0 N-CA-C 109.255 -0.646 . . . . 63.18 109.255 -176.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -81.07 157.21 20.28 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 121.664 1.576 . . . . 61.98 113.887 -169.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 53.05 54.93 9.62 Favored 'General case' 0 C--N 1.332 -0.16 0 O-C-N 124.087 0.867 . . . . 62.45 112.4 174.927 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 88.2 mmm -112.54 -18.19 12.46 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.558 0.577 . . . . 59.16 112.558 -179.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 73.8 t -124.47 120.36 58.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.543 -0.299 . . . . 53.04 111.733 -179.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 79.5 t -75.88 114.67 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.323 -0.621 . . . . 47.64 109.323 173.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -95.05 -24.2 17.01 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.758 0.651 . . . . 81.39 112.758 -179.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -161.45 141.29 10.48 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.576 -0.45 . . . . 73.98 111.509 -172.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 74.1 m -117.77 148.91 41.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 50.3 110.8 -177.414 -61.535 -78.308 -83.373 103.712 2.034 100.659 -58.706 -57.577 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -168.3 177.45 42.38 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.929 -0.653 . . . . 52.86 113.732 178.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 72.1 m -104.82 121.82 44.45 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.208 0.447 . . . . 94.15 112.208 -178.06 -62.092 -77.089 -78.027 114.548 2.028 93.119 -84.637 -62.764 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' SER . . . . . 0.523 ' OXT' ' OG ' ' A' ' 109' ' ' SER . 1.6 t . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 120.599 0.238 . . . . 145.73 111.2 176.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 9.7 t0 . . . . . 0 CA--C 1.528 0.124 0 N-CA-C 110.349 -0.241 . . . . 118.3 110.349 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -129.55 178.25 6.62 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.388 0.514 . . . . 88.54 112.388 -179.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -88.49 165.62 33.99 Favored Glycine 0 N--CA 1.451 -0.345 0 N-CA-C 108.963 -1.655 . . . . 61.35 108.963 178.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 14.5 tp -98.52 141.43 31.38 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.469 0.544 . . . . 68.88 112.469 177.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -108.39 140.41 41.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.959 0.409 . . . . 65.77 111.749 176.047 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 75.2 m -131.84 159.65 37.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.938 -0.573 . . . . 65.77 112.382 179.236 -63.495 77.352 104.023 105.066 2.029 104.738 -170.23 -160.485 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -109.0 -175.72 2.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.571 -0.74 . . . . 79.09 110.203 171.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -66.69 -13.87 61.81 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.651 0.611 . . . . 98.22 112.651 175.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 59.7 m170 -106.97 6.36 29.07 Favored 'General case' 0 C--O 1.233 0.237 0 N-CA-C 113.185 0.809 . . . . 109.29 113.185 -175.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 14.6 m -75.31 133.91 41.17 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.525 0.565 . . . . 74.92 112.525 175.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 69.3 p -95.87 60.48 2.1 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.718 -0.845 . . . . 81.27 108.718 168.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' GLU . . . . . 0.471 ' OE2' ' NE ' ' B' ' 14' ' ' ARG . 16.8 tp10 -107.69 124.19 49.63 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.415 -0.587 . . . . 81.05 109.415 -173.585 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 93.4 p -93.92 -18.98 21.37 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 113.144 0.794 . . . . 85.97 113.144 -177.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ARG . . . . . 0.471 ' NE ' ' OE2' ' B' ' 12' ' ' GLU . 28.9 mtm180 -81.46 166.16 20.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.863 0.363 . . . . 79.18 111.339 -177.974 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 44.0 t -56.31 111.68 1.04 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.737 -0.665 . . . . 68.74 110.601 179.867 176.328 44.706 78.844 101.986 2.033 100.414 55.534 -168.05 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 6.8 t -134.32 163.51 29.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.449 . . . . 65.4 111.134 -174.905 -160.485 -170.23 104.023 104.738 2.029 105.066 77.352 -63.495 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' ARG . . . . . 0.545 ' NH2' ' O ' ' B' ' 302' ' ' HOH . 8.9 ttt180 -107.84 124.83 50.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.653 -0.703 . . . . 54.07 111.294 -177.459 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -114.66 151.5 45.38 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.299 -0.41 . . . . 57.9 110.508 -173.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -74.08 151.28 44.24 Favored 'Trans proline' 0 C--O 1.231 0.159 0 O-C-N 122.405 0.687 . . . . 49.99 112.161 -179.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 35.1 tp -163.17 127.37 2.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.173 0.511 . . . . 47.17 111.731 176.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 24.4 m -94.16 122.92 37.18 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.519 -0.764 . . . . 35.52 109.589 174.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 23.5 t -91.68 122.91 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 108.951 -0.759 . . . . 45.97 108.951 171.042 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' ASP . . . . . 0.574 ' OD1' ' NE ' ' B' ' 37' ' ' ARG . 22.9 t0 -116.93 100.99 8.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.866 -0.607 . . . . 57.62 110.66 -172.64 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -68.3 -37.05 80.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.87 -0.605 . . . . 49.04 111.039 -177.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -64.86 -39.69 93.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.006 -0.543 . . . . 66.05 109.567 -179.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.07 -34.32 77.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.013 -0.539 . . . . 60.91 110.369 178.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -64.39 -25.3 67.96 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.536 -0.542 . . . . 65.52 109.536 174.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.39 -4.23 58.3 Favored Glycine 0 N--CA 1.45 -0.377 0 N-CA-C 111.598 -0.601 . . . . 61.01 111.598 -178.173 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' TRP . . . . . . . . . . . . . 51.5 m0 -67.27 75.66 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.567 0.222 . . . . 81.09 111.046 179.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ASP . . . . . 0.464 ' OD2' ' N ' ' B' ' 30' ' ' ASP . 8.6 p-10 -78.1 -7.6 57.19 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.553 0.945 . . . . 109.11 113.553 -175.376 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' TRP . . . . . . . . . . . . . 29.6 p90 -69.1 -13.61 62.53 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 120.166 -0.614 . . . . 75.7 109.986 176.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 39.8 mt -89.29 111.8 23.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.972 -0.558 . . . . 59.58 110.122 179.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 49.8 mt -73.66 -55.57 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.946 -0.57 . . . . 60.7 111.442 -178.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -152.44 141.34 14.09 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 56.82 111.187 179.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -86.51 145.82 33.74 Favored 'Cis proline' 0 C--O 1.233 0.232 0 C-N-CA 123.142 -1.607 . . . . 49.49 113.266 -3.118 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -66.07 -27.68 68.26 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.884 -0.784 . . . . 68.52 108.884 172.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' ARG . . . . . 0.574 ' NE ' ' OD1' ' B' ' 23' ' ' ASP . 8.8 ttm105 -147.83 142.5 26.63 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.475 -0.784 . . . . 62.9 111.177 -169.71 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -158.05 160.46 37.42 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.727 0.299 . . . . 44.67 111.478 175.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -87.72 109.54 19.78 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.21 -0.45 . . . . 78.69 111.162 179.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.3 -39.99 9.37 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.933 0.716 . . . . 38.11 112.933 -177.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 65.5 172.74 0.22 Allowed 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.665 0.786 . . . . 37.04 111.609 -174.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -155.67 173.79 16.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.932 0.396 . . . . 51.01 111.288 175.214 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 62.2 m -113.05 142.06 46.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.994 -0.548 . . . . 48.86 110.656 -176.949 -56.638 -60.539 -81.929 100.605 2.031 107.971 -78.08 -62.599 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 36.2 t -157.87 145.16 18.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.277 -0.42 . . . . 55.5 110.377 177.078 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 140.15 176.42 15.06 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.228 -0.51 . . . . 69.82 112.679 -179.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -98.55 152.03 20.01 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.963 0.727 . . . . 74.42 112.963 -176.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' CYS . . . . . . . . . . . . . 86.7 m -121.51 112.9 19.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.666 -0.697 . . . . 84.81 110.038 179.674 -64.571 -72.886 -89.546 96.237 2.03 98.125 -85.661 -62.291 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.447 -0.342 . . . . 104.92 111.814 -178.474 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo . . . . . 0 C--O 1.232 0.188 0 N-CA-C 114.519 0.93 . . . . 111.67 114.519 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 13.5 ttt85 -91.9 130.37 37.67 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.123 -1.066 . . . . 100.27 108.123 166.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -101.41 29.44 12.5 Favored Glycine 0 CA--C 1.517 0.205 0 N-CA-C 117.839 1.896 . . . . 78.41 117.839 -177.759 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . . . -111.01 128.34 55.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 117.394 0.597 . . . . 86.99 110.775 178.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.17 -35.61 8.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.959 -0.564 . . . . 91.46 110.98 -179.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.04 146.19 43.07 Favored Glycine 0 C--N 1.331 0.293 0 N-CA-C 110.746 -0.941 . . . . 93.02 110.746 -179.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -64.67 137.49 54.51 Favored 'Trans proline' 0 C--N 1.342 0.236 0 O-C-N 122.844 0.918 . . . . 97.68 111.49 -179.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' CYS . . . . . . . . . . . . . 5.2 m -148.99 143.45 26.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.953 0.406 . . . . 125.15 111.763 -177.556 -86.12 -102.948 -131.567 90.671 2.038 92.512 -97.709 -84.774 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 18.8 t -71.03 95.72 1.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.1 -0.704 . . . . 57.37 109.1 178.294 -168.05 55.534 78.844 100.414 2.033 101.986 44.706 176.328 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 9.8 t -125.72 156.03 71.65 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.844 -0.616 . . . . 74.47 109.399 -175.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -58.34 122.16 11.21 Favored 'Trans proline' 0 C--N 1.345 0.382 0 O-C-N 122.683 0.833 . . . . 49.14 111.254 175.021 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 74.9 p -96.3 -8.93 31.4 Favored 'General case' 0 C--N 1.328 -0.326 0 O-C-N 123.392 0.433 . . . . 49.49 111.586 177.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -157.37 125.55 5.52 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.888 -0.782 . . . . 52.23 108.888 171.026 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 27.4 mtp -122.87 161.91 23.2 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.845 -0.616 . . . . 54.42 110.221 175.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 15.0 p -131.58 156.48 80.06 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 109.059 -0.719 . . . . 40.56 109.059 -178.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -82.56 170.09 13.25 Favored 'Trans proline' 0 CA--C 1.521 -0.169 0 O-C-N 122.513 0.744 . . . . 45.39 113.471 -177.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 37.7 pt -131.82 152.85 37.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 108.547 -0.908 . . . . 50.68 108.547 167.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -90.23 133.25 35.04 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.705 -0.398 . . . . 64.05 110.512 173.896 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 85.1 mtp -126.42 148.65 49.6 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.973 0.731 . . . . 94.13 112.973 179.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 20.6 tp -117.79 121.53 41.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.887 -1.052 . . . . 63.12 108.427 174.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 38.3 p90 -150.58 164.86 34.98 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 114.579 1.326 . . . . 69.62 114.579 -176.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -91.16 149.61 21.72 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.043 -0.981 . . . . 74.91 111.128 -179.155 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -111.39 -0.17 16.4 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 119.919 -0.712 . . . . 127.48 110.35 159.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 84.62 13.41 72.94 Favored Glycine 0 C--N 1.331 0.274 0 CA-C-N 115.952 -0.567 . . . . 114.18 113.875 170.614 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -113.44 29.42 8.0 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.848 -0.797 . . . . 138.04 108.848 -176.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . . . 57.37 23.57 9.1 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 108.298 -1.001 . . . . 133.16 108.298 -162.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -107.46 106.13 16.37 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.296 -0.865 . . . . 114.16 111.829 -176.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 50.9 mt -100.7 131.47 48.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 81.11 110.744 177.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 8.2 mt -113.62 129.91 68.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 75.13 111.895 -175.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -115.19 110.4 19.41 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.032 -1.099 . . . . 81.47 108.032 175.284 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . -141.18 155.16 24.96 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 116.022 1.169 . . . . 55.97 116.022 -172.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 49.1 tttt -87.06 112.96 22.39 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.16 -0.682 . . . . 85.69 109.16 174.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' ILE . . . . . . . . . . . . . 28.6 mm -102.05 117.48 61.32 Favored Pre-proline 0 C--N 1.328 -0.345 0 N-CA-C 109.707 -0.479 . . . . 55.58 109.707 -176.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -80.01 157.32 23.68 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.411 2.074 . . . . 52.3 112.851 -169.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . 52.69 56.34 7.76 Favored 'General case' 0 C--N 1.333 -0.148 0 O-C-N 124.123 0.889 . . . . 58.84 112.614 174.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 89.1 mmm -113.23 -17.75 12.26 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.486 0.55 . . . . 49.65 112.486 -179.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 72.4 t -123.36 121.47 62.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 112.118 0.414 . . . . 39.02 112.118 -179.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 70.0 t -74.81 113.21 13.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.048 -0.723 . . . . 36.87 109.048 173.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -95.27 -23.3 17.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 53.26 111.103 179.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -160.03 140.41 11.8 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.745 0.646 . . . . 77.21 112.745 -171.635 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 71.1 m -118.81 148.92 42.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.853 -0.612 . . . . 44.19 110.689 -178.96 -62.599 -78.08 -81.929 107.971 2.031 100.605 -60.539 -56.638 1 1 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -168.04 179.26 41.36 Favored Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 109.369 -1.492 . . . . 56.14 109.369 179.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 71.4 m -101.02 118.49 37.11 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 119.87 -0.732 . . . . 75.23 109.109 -178.494 -62.291 -85.661 -89.546 98.125 2.03 96.237 -72.886 -64.571 1 1 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' SER . . . . . 0.549 ' OXT' ' OG ' ' B' ' 109' ' ' SER . 2.4 t . . . . . 0 CA--C 1.531 0.249 0 C-N-CA 123.686 0.794 . . . . 148.04 112.377 179.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' MPD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' MPD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' MPD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' MPD . . . . . 0.441 ' O2 ' ' O4 ' ' A' ' 204' ' ' MPD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' MPD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' MPD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' MPD . . . . . 0.598 ' O2 ' ' O4 ' ' B' ' 203' ' ' MPD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' HOH . . . . . 0.508 ' O ' ' N ' ' A' ' 23' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud 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 ' B' B ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 302' ' ' HOH . . . . . 0.545 ' O ' ' NH2' ' B' ' 17' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 121.048 0.452 . . . . 126.11 112.096 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' PHE . . . . . 0.508 ' CE2' ' HB3' ' A' ' 15' ' ' CYS . 2.8 t80 -125.06 39.6 3.94 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.79 -0.819 . . . . 123.98 108.79 -176.189 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -86.82 83.23 1.6 Allowed Glycine 0 N--CA 1.45 -0.37 0 N-CA-C 117.682 1.833 . . . . 67.77 117.682 -175.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.8 mt -97.37 139.19 33.68 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.336 -0.616 . . . . 53.69 109.336 175.011 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -109.26 140.76 42.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.915 0.388 . . . . 54.13 110.326 175.295 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.1 m -130.35 155.26 46.65 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.605 -0.887 . . . . 57.65 108.605 178.04 -62.805 73.377 106.486 110.391 2.03 103.832 -166.669 -159.749 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -102.77 176.64 5.09 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 105.295 -2.113 . . . . 79.64 105.295 168.735 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -66.98 156.41 36.03 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.919 -0.712 . . . . 83.39 109.933 173.907 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 40.6 m80 65.5 13.47 8.89 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.895 1.072 . . . . 60.59 113.895 -178.354 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.3 m -71.19 139.37 50.13 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 107.954 -1.128 . . . . 63.82 107.954 172.495 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.4 m -89.89 84.51 6.23 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 109.129 -0.693 . . . . 57.93 109.129 172.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -138.04 124.29 20.47 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 114.054 1.131 . . . . 47.87 114.054 -174.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 91.2 p -96.68 -18.84 19.41 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.824 0.675 . . . . 73.45 112.824 178.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -80.68 163.98 23.16 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 112.84 0.681 . . . . 59.59 112.84 -176.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' CYS . . . . . 0.508 ' HB3' ' CE2' ' A' ' 2' ' ' PHE . 42.6 t -58.42 111.91 1.39 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.537 -0.756 . . . . 50.5 110.031 178.76 176.012 50.145 79.043 105.371 2.035 103.936 58.74 -167.643 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.2 t -135.14 165.12 26.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.519 0.676 . . . . 53.67 111.063 -174.716 -159.749 -166.669 106.486 103.832 2.03 110.391 73.377 -62.805 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.7 ttt-85 -105.89 123.94 48.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.964 -1.017 . . . . 50.25 110.265 -178.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -113.74 151.15 44.4 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.562 -0.744 . . . . 50.45 110.869 -173.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -73.83 151.18 45.41 Favored 'Trans proline' 0 N--CA 1.464 -0.228 0 O-C-N 122.637 0.809 . . . . 53.81 111.579 -178.275 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 tt -162.97 123.5 2.35 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 106.694 -1.595 . . . . 69.33 106.694 174.076 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.2 m -96.06 123.35 39.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.731 -0.668 . . . . 60.28 110.69 175.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.2 t -91.81 120.93 41.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 107.601 -1.259 . . . . 58.19 107.601 170.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ASP . . . . . 0.968 ' OD2' ' NH1' ' A' ' 37' ' ' ARG . 21.0 t0 -118.06 99.92 7.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.085 -0.507 . . . . 77.89 110.436 -172.926 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -70.47 -38.59 74.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.952 -0.567 . . . . 81.76 112.081 -177.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLU . . . . . 0.539 ' OE1' ' NH2' ' A' ' 37' ' ' ARG . 18.0 tt0 -66.76 -44.7 80.72 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.954 0.353 . . . . 95.54 111.954 -178.436 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.01 -35.03 74.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.404 -0.362 . . . . 129.29 111.083 179.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' PHE . . . . . 0.413 ' HE2' ' NE1' ' A' ' 29' ' ' TRP . 90.2 t80 -64.77 -24.43 67.55 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.858 -0.337 . . . . 116.85 111.439 176.039 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.28 -5.27 48.89 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 117.404 1.722 . . . . 93.12 117.404 -178.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' TRP . . . . . 0.413 ' NE1' ' HE2' ' A' ' 27' ' ' PHE . 34.0 m0 -66.7 78.5 0.11 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 117.898 0.849 . . . . 111.23 109.62 173.515 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -75.72 -13.09 60.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.815 -1.084 . . . . 114.81 111.702 -175.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 -72.58 -13.31 61.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.652 -0.704 . . . . 96.62 112.486 173.532 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.3 mt -91.07 111.17 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.058 0.456 . . . . 75.02 110.055 176.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.4 mt -74.58 -53.3 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.675 -0.693 . . . . 87.78 111.522 -178.443 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -151.36 142.38 15.25 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 79.51 110.163 179.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' PRO . . . . . 0.515 ' HB3' ' H12' ' A' ' 203' ' ' MPD . 32.8 Cg_endo -82.01 147.1 66.58 Favored 'Cis proline' 0 C--N 1.344 0.336 0 O-C-N 122.609 0.794 . . . . 65.05 112.074 -0.43 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -65.58 -35.72 81.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.611 0.719 . . . . 86.35 109.422 178.44 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ARG . . . . . 0.968 ' NH1' ' OD2' ' A' ' 23' ' ' ASP . 6.2 ptp180 -154.4 147.65 24.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.584 -1.189 . . . . 87.68 107.97 -174.084 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -154.24 162.22 41.32 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.814 -0.754 . . . . 64.25 111.933 177.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -85.76 108.77 18.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.377 -0.828 . . . . 78.58 110.277 -178.589 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.89 -42.47 8.29 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.917 0.339 . . . . 59.17 111.917 -177.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 22.9 m-20 63.34 171.75 0.16 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.545 0.738 . . . . 53.48 112.772 -176.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -156.69 174.48 15.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.068 -0.514 . . . . 50.53 111.214 174.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 65.1 m -112.22 141.05 46.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 48.75 110.727 -177.601 -57.577 -58.706 -83.373 100.659 2.034 103.712 -78.308 -61.535 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.1 t -158.23 145.6 18.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.832 -0.622 . . . . 56.81 110.783 178.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLY . . . . . 0.445 ' HA3' ' HA ' ' A' ' 15' ' ' CYS . . . 140.57 175.86 14.84 Favored Glycine 0 N--CA 1.453 -0.207 0 CA-C-N 116.116 -0.493 . . . . 60.24 111.892 -179.794 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -99.19 149.54 22.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.011 0.434 . . . . 106.7 111.871 -177.533 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 71.9 m -123.67 111.26 15.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 81.88 111.218 -179.734 -62.764 -84.637 -78.027 93.119 2.028 114.548 -77.089 -62.092 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . . . -94.28 155.03 17.22 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 113.327 0.862 . . . . 105.51 113.327 179.553 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . . . -160.83 119.75 2.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.765 -0.652 . . . . 141.7 109.854 175.17 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 128.2 111.318 -177.294 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--O 1.236 0.374 0 N-CA-C 112.055 0.391 . . . . 130.5 112.055 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -54.78 -1.69 0.17 Allowed 'Trans proline' 0 CA--C 1.544 0.995 0 C-N-CA 123.71 2.94 . . . . 152.73 118.945 -175.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -94.68 -54.99 3.28 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 120.795 1.634 . . . . 145.83 111.734 167.177 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 55.81 28.06 51.58 Favored Glycine 0 C--N 1.33 0.223 0 N-CA-C 118.184 2.033 . . . . 106.44 118.184 176.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . . . -112.87 128.89 56.58 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.088 -0.338 . . . . 97.48 110.088 177.613 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -104.6 -36.3 7.53 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.294 0.479 . . . . 103.67 112.294 -179.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.5 145.05 45.33 Favored Glycine 0 N--CA 1.451 -0.329 0 N-CA-C 111.371 -0.691 . . . . 116.05 111.371 -178.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.27 137.27 50.93 Favored 'Trans proline' 0 C--N 1.342 0.208 0 O-C-N 122.899 0.947 . . . . 110.61 111.281 179.81 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 7.3 m -149.78 143.01 25.11 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.405 0.441 . . . . 119.0 111.666 -178.037 -84.774 -97.709 -131.567 92.512 2.038 90.671 -102.948 -86.12 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 17.5 t -71.86 93.89 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.839 -0.618 . . . . 63.79 110.006 178.31 -167.643 58.74 79.043 103.936 2.035 105.371 50.145 176.012 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 33.4 p -127.17 157.54 71.98 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.059 -0.518 . . . . 62.48 110.354 -176.222 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -57.97 123.03 12.74 Favored 'Trans proline' 0 C--N 1.342 0.226 0 O-C-N 122.738 0.862 . . . . 56.8 112.881 175.683 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 66.9 p -95.41 -8.28 36.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.293 0.568 . . . . 55.3 109.567 176.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.5 tttp -156.6 123.91 5.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.416 -0.811 . . . . 56.3 111.263 173.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 28.1 mtp -124.01 160.5 27.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 71.53 110.2 174.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 35.3 m -134.02 156.62 79.05 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 60.55 111.184 -178.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' PRO . . . . . 0.482 ' HB3' ' HA ' ' A' ' 99' ' ' PRO . 56.9 Cg_endo -82.95 170.32 12.51 Favored 'Trans proline' 0 N--CA 1.465 -0.202 0 O-C-N 122.831 0.911 . . . . 56.43 112.72 179.931 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 36.2 pt -131.61 151.8 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 108.372 -0.973 . . . . 64.35 108.372 167.612 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -90.85 133.31 35.32 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.529 -0.545 . . . . 86.78 109.529 173.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 83.8 mtp -125.76 146.52 49.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.344 0.593 . . . . 70.86 111.913 179.618 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.4 tp -118.35 120.61 38.13 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 107.531 -1.285 . . . . 69.64 107.531 175.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -152.05 167.49 28.27 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 114.029 1.122 . . . . 71.89 114.029 -175.481 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -91.86 150.21 21.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.074 -0.966 . . . . 79.81 113.272 -179.014 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -106.52 -0.05 24.26 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.474 -0.784 . . . . 120.05 109.682 157.335 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 84.93 13.57 71.71 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.528 -0.76 . . . . 118.43 113.476 170.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -114.1 29.74 7.79 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 122.449 0.299 . . . . 142.93 110.902 -177.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 57.69 23.98 10.07 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 106.918 -1.512 . . . . 140.08 106.918 -163.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -105.53 105.52 15.59 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 114.925 -1.034 . . . . 108.99 108.759 -177.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 46.6 mt -100.26 130.32 49.64 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 N-CA-C 108.75 -0.833 . . . . 84.44 108.75 178.731 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 8.1 mt -113.36 128.79 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 80.89 110.974 -174.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -116.25 111.27 19.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.96 -0.564 . . . . 86.91 109.999 176.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -141.13 155.58 25.15 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.634 -0.793 . . . . 66.85 114.72 -173.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt -86.51 113.41 22.41 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.302 -0.629 . . . . 95.56 109.302 174.429 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 31.7 mm -101.36 116.72 63.35 Favored Pre-proline 0 C--N 1.327 -0.377 0 N-CA-C 109.255 -0.646 . . . . 63.18 109.255 -176.856 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' PRO . . . . . 0.482 ' HA ' ' HB3' ' A' ' 81' ' ' PRO . 30.5 Cg_endo -81.07 157.21 20.28 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 121.664 1.576 . . . . 61.98 113.887 -169.668 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 53.05 54.93 9.62 Favored 'General case' 0 C--N 1.332 -0.16 0 O-C-N 124.087 0.867 . . . . 62.45 112.4 174.927 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 88.2 mmm -112.54 -18.19 12.46 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.558 0.577 . . . . 59.16 112.558 -179.132 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 73.8 t -124.47 120.36 58.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.543 -0.299 . . . . 53.04 111.733 -179.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 79.5 t -75.88 114.67 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.323 -0.621 . . . . 47.64 109.323 173.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -95.05 -24.2 17.01 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.758 0.651 . . . . 81.39 112.758 -179.619 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -161.45 141.29 10.48 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.576 -0.45 . . . . 73.98 111.509 -172.91 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 74.1 m -117.77 148.91 41.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 50.3 110.8 -177.414 -61.535 -78.308 -83.373 103.712 2.034 100.659 -58.706 -57.577 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -168.3 177.45 42.38 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.929 -0.653 . . . . 52.86 113.732 178.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 72.1 m -104.82 121.82 44.45 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.208 0.447 . . . . 94.15 112.208 -178.06 -62.092 -77.089 -78.027 114.548 2.028 93.119 -84.637 -62.764 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' SER . . . . . 0.519 ' OXT' ' OG ' ' A' ' 109' ' ' SER . 1.6 t . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 120.599 0.238 . . . . 145.73 111.2 176.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 9.7 t0 . . . . . 0 CA--C 1.528 0.124 0 N-CA-C 110.349 -0.241 . . . . 118.3 110.349 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -129.55 178.25 6.62 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.388 0.514 . . . . 88.54 112.388 -179.728 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -88.49 165.62 33.99 Favored Glycine 0 N--CA 1.451 -0.345 0 N-CA-C 108.963 -1.655 . . . . 61.35 108.963 178.768 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 14.5 tp -98.52 141.43 31.38 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.469 0.544 . . . . 68.88 112.469 177.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -108.39 140.41 41.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.959 0.409 . . . . 65.77 111.749 176.047 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 75.2 m -131.84 159.65 37.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.938 -0.573 . . . . 65.77 112.382 179.236 -63.495 77.352 104.023 105.066 2.029 104.738 -170.23 -160.485 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -109.0 -175.72 2.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.571 -0.74 . . . . 79.09 110.203 171.409 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -66.69 -13.87 61.81 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.651 0.611 . . . . 98.22 112.651 175.409 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 59.7 m170 -106.97 6.36 29.07 Favored 'General case' 0 C--O 1.233 0.237 0 N-CA-C 113.185 0.809 . . . . 109.29 113.185 -175.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 14.6 m -75.31 133.91 41.17 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.525 0.565 . . . . 74.92 112.525 175.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 69.3 p -95.87 60.48 2.1 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.718 -0.845 . . . . 81.27 108.718 168.775 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' GLU . . . . . 0.41 ' OE2' ' NE ' ' B' ' 14' ' ' ARG . 16.8 tp10 -107.69 124.19 49.63 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.415 -0.587 . . . . 81.05 109.415 -173.585 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 93.4 p -93.92 -18.98 21.37 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 113.144 0.794 . . . . 85.97 113.144 -177.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ARG . . . . . 0.41 ' NE ' ' OE2' ' B' ' 12' ' ' GLU . 28.9 mtm180 -81.46 166.16 20.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.863 0.363 . . . . 79.18 111.339 -177.974 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 44.0 t -56.31 111.68 1.04 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.737 -0.665 . . . . 68.74 110.601 179.867 176.328 44.706 78.844 101.986 2.033 100.414 55.534 -168.05 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 6.8 t -134.32 163.51 29.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.449 . . . . 65.4 111.134 -174.905 -160.485 -170.23 104.023 104.738 2.029 105.066 77.352 -63.495 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' ARG . . . . . 0.419 ' NH2' ' O ' ' B' ' 302' ' ' HOH . 8.9 ttt180 -107.84 124.83 50.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.653 -0.703 . . . . 54.07 111.294 -177.459 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -114.66 151.5 45.38 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.299 -0.41 . . . . 57.9 110.508 -173.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -74.08 151.28 44.24 Favored 'Trans proline' 0 C--O 1.231 0.159 0 O-C-N 122.405 0.687 . . . . 49.99 112.161 -179.838 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 35.1 tp -163.17 127.37 2.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.173 0.511 . . . . 47.17 111.731 176.301 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 24.4 m -94.16 122.92 37.18 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.519 -0.764 . . . . 35.52 109.589 174.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 23.5 t -91.68 122.91 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 108.951 -0.759 . . . . 45.97 108.951 171.042 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -116.93 100.99 8.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.866 -0.607 . . . . 57.62 110.66 -172.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -68.3 -37.05 80.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.87 -0.605 . . . . 49.04 111.039 -177.448 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -64.86 -39.69 93.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.006 -0.543 . . . . 66.05 109.567 -179.083 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ALA . . . . . 0.409 ' O ' ' H31' ' B' ' 201' ' ' MPD . . . -67.07 -34.32 77.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.013 -0.539 . . . . 60.91 110.369 178.82 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -64.39 -25.3 67.96 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.536 -0.542 . . . . 65.52 109.536 174.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.39 -4.23 58.3 Favored Glycine 0 N--CA 1.45 -0.377 0 N-CA-C 111.598 -0.601 . . . . 61.01 111.598 -178.173 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' TRP . . . . . . . . . . . . . 51.5 m0 -67.27 75.66 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.567 0.222 . . . . 81.09 111.046 179.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ASP . . . . . 0.461 ' OD2' ' N ' ' B' ' 30' ' ' ASP . 8.6 p-10 -78.1 -7.6 57.19 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.553 0.945 . . . . 109.11 113.553 -175.376 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 31' ' ' TRP . . . . . . . . . . . . . 29.6 p90 -69.1 -13.61 62.53 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 120.166 -0.614 . . . . 75.7 109.986 176.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 39.8 mt -89.29 111.8 23.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.972 -0.558 . . . . 59.58 110.122 179.646 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 49.8 mt -73.66 -55.57 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.946 -0.57 . . . . 60.7 111.442 -178.245 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -152.44 141.34 14.09 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 56.82 111.187 179.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -86.51 145.82 33.74 Favored 'Cis proline' 0 C--O 1.233 0.232 0 C-N-CA 123.142 -1.607 . . . . 49.49 113.266 -3.118 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -66.07 -27.68 68.26 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.884 -0.784 . . . . 68.52 108.884 172.475 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 8.8 ttm105 -147.83 142.5 26.63 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.475 -0.784 . . . . 62.9 111.177 -169.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -158.05 160.46 37.42 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.727 0.299 . . . . 44.67 111.478 175.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -87.72 109.54 19.78 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.21 -0.45 . . . . 78.69 111.162 179.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.3 -39.99 9.37 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.933 0.716 . . . . 38.11 112.933 -177.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 65.5 172.74 0.22 Allowed 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.665 0.786 . . . . 37.04 111.609 -174.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -155.67 173.79 16.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.932 0.396 . . . . 51.01 111.288 175.214 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 62.2 m -113.05 142.06 46.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.994 -0.548 . . . . 48.86 110.656 -176.949 -56.638 -60.539 -81.929 100.605 2.031 107.971 -78.08 -62.599 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 36.2 t -157.87 145.16 18.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.277 -0.42 . . . . 55.5 110.377 177.078 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 140.15 176.42 15.06 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.228 -0.51 . . . . 69.82 112.679 -179.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -98.55 152.03 20.01 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.963 0.727 . . . . 74.42 112.963 -176.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' CYS . . . . . . . . . . . . . 86.7 m -121.51 112.9 19.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.666 -0.697 . . . . 84.81 110.038 179.674 -64.571 -72.886 -89.546 96.237 2.03 98.125 -85.661 -62.291 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.447 -0.342 . . . . 104.92 111.814 -178.474 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo . . . . . 0 C--O 1.232 0.188 0 N-CA-C 114.519 0.93 . . . . 111.67 114.519 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 13.5 ttt85 -91.9 130.37 37.67 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.123 -1.066 . . . . 100.27 108.123 166.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -101.41 29.44 12.5 Favored Glycine 0 CA--C 1.517 0.205 0 N-CA-C 117.839 1.896 . . . . 78.41 117.839 -177.759 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . . . -111.01 128.34 55.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 117.394 0.597 . . . . 86.99 110.775 178.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.17 -35.61 8.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.959 -0.564 . . . . 91.46 110.98 -179.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.04 146.19 43.07 Favored Glycine 0 C--N 1.331 0.293 0 N-CA-C 110.746 -0.941 . . . . 93.02 110.746 -179.441 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -64.67 137.49 54.51 Favored 'Trans proline' 0 C--N 1.342 0.236 0 O-C-N 122.844 0.918 . . . . 97.68 111.49 -179.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' CYS . . . . . . . . . . . . . 5.2 m -148.99 143.45 26.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.953 0.406 . . . . 125.15 111.763 -177.556 -86.12 -102.948 -131.567 90.671 2.038 92.512 -97.709 -84.774 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 18.8 t -71.03 95.72 1.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.1 -0.704 . . . . 57.37 109.1 178.294 -168.05 55.534 78.844 100.414 2.033 101.986 44.706 176.328 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 9.8 t -125.72 156.03 71.65 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.844 -0.616 . . . . 74.47 109.399 -175.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -58.34 122.16 11.21 Favored 'Trans proline' 0 C--N 1.345 0.382 0 O-C-N 122.683 0.833 . . . . 49.14 111.254 175.021 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 74.9 p -96.3 -8.93 31.4 Favored 'General case' 0 C--N 1.328 -0.326 0 O-C-N 123.392 0.433 . . . . 49.49 111.586 177.82 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' LYS . . . . . 0.521 ' HD3' ' HB2' ' B' ' 104' ' ' ASP . 1.5 tmtp? -157.37 125.55 5.52 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.888 -0.782 . . . . 52.23 108.888 171.026 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 27.4 mtp -122.87 161.91 23.2 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.845 -0.616 . . . . 54.42 110.221 175.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 15.0 p -131.58 156.48 80.06 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 109.059 -0.719 . . . . 40.56 109.059 -178.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' PRO . . . . . 0.564 ' HG3' ' HE3' ' B' ' 97' ' ' LYS . 57.6 Cg_endo -82.56 170.09 13.25 Favored 'Trans proline' 0 CA--C 1.521 -0.169 0 O-C-N 122.513 0.744 . . . . 45.39 113.471 -177.628 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 37.7 pt -131.82 152.85 37.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 108.547 -0.908 . . . . 50.68 108.547 167.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -90.23 133.25 35.04 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.705 -0.398 . . . . 64.05 110.512 173.896 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 85.1 mtp -126.42 148.65 49.6 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.973 0.731 . . . . 94.13 112.973 179.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 20.6 tp -117.79 121.53 41.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.887 -1.052 . . . . 63.12 108.427 174.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 38.3 p90 -150.58 164.86 34.98 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 114.579 1.326 . . . . 69.62 114.579 -176.613 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -91.16 149.61 21.72 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.043 -0.981 . . . . 74.91 111.128 -179.155 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -111.39 -0.17 16.4 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 119.919 -0.712 . . . . 127.48 110.35 159.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 84.62 13.41 72.94 Favored Glycine 0 C--N 1.331 0.274 0 CA-C-N 115.952 -0.567 . . . . 114.18 113.875 170.614 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -113.44 29.42 8.0 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.848 -0.797 . . . . 138.04 108.848 -176.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . . . 57.37 23.57 9.1 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 108.298 -1.001 . . . . 133.16 108.298 -162.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -107.46 106.13 16.37 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.296 -0.865 . . . . 114.16 111.829 -176.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 50.9 mt -100.7 131.47 48.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 81.11 110.744 177.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 8.2 mt -113.62 129.91 68.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 75.13 111.895 -175.784 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -115.19 110.4 19.41 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.032 -1.099 . . . . 81.47 108.032 175.284 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . -141.18 155.16 24.96 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 116.022 1.169 . . . . 55.97 116.022 -172.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 97' ' ' LYS . . . . . 0.564 ' HE3' ' HG3' ' B' ' 81' ' ' PRO . 49.1 tttt -87.06 112.96 22.39 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.16 -0.682 . . . . 85.69 109.16 174.971 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 98' ' ' ILE . . . . . 0.41 ' HA ' ' HD3' ' B' ' 99' ' ' PRO . 28.6 mm -102.05 117.48 61.32 Favored Pre-proline 0 C--N 1.328 -0.345 0 N-CA-C 109.707 -0.479 . . . . 55.58 109.707 -176.49 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 99' ' ' PRO . . . . . 0.422 ' HA ' ' HB3' ' B' ' 81' ' ' PRO . 3.8 Cg_exo -80.01 157.32 23.68 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.411 2.074 . . . . 52.3 112.851 -169.881 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . 52.69 56.34 7.76 Favored 'General case' 0 C--N 1.333 -0.148 0 O-C-N 124.123 0.889 . . . . 58.84 112.614 174.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 89.1 mmm -113.23 -17.75 12.26 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.486 0.55 . . . . 49.65 112.486 -179.856 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 72.4 t -123.36 121.47 62.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 112.118 0.414 . . . . 39.02 112.118 -179.125 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 70.0 t -74.81 113.21 13.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.048 -0.723 . . . . 36.87 109.048 173.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 104' ' ' ASP . . . . . 0.521 ' HB2' ' HD3' ' B' ' 78' ' ' LYS . 58.9 m-20 -95.27 -23.3 17.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 53.26 111.103 179.725 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -160.03 140.41 11.8 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.745 0.646 . . . . 77.21 112.745 -171.635 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 71.1 m -118.81 148.92 42.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.853 -0.612 . . . . 44.19 110.689 -178.96 -62.599 -78.08 -81.929 107.971 2.031 100.605 -60.539 -56.638 1 1 . 1 . 001 ecloud build full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -168.04 179.26 41.36 Favored Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 109.369 -1.492 . . . . 56.14 109.369 179.371 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 71.4 m -101.02 118.49 37.11 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 119.87 -0.732 . . . . 75.23 109.109 -178.494 -62.291 -85.661 -89.546 98.125 2.03 96.237 -72.886 -64.571 1 1 . 1 . 001 ecloud build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 CA--C 1.531 0.249 0 C-N-CA 123.686 0.794 . . . . 148.04 112.377 179.737 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' MPD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' MPD . . . . . 0.44 ' H11' ' H4 ' ' A' ' 202' ' ' MPD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 203' ' ' MPD . . . . . 0.515 ' H12' ' HB3' ' A' ' 35' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 204' ' ' MPD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' MPD . . . . . 0.409 ' H31' ' O ' ' B' ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 202' ' ' MPD . . . . . 0.46 ' H4 ' ' H12' ' B' ' 202' ' ' MPD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 203' ' ' MPD . . . . . 0.598 ' O4 ' ' O2 ' ' B' ' 203' ' ' MPD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 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 ' B' B ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 302' ' ' HOH . . . . . 0.419 ' O ' ' NH2' ' B' ' 17' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 121.048 0.452 . . . . 126.11 112.096 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.508 ' CE2' ' HB3' ' A' ' 15' ' ' CYS . 2.8 t80 -125.06 39.6 3.94 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.79 -0.819 . . . . 123.98 108.79 -176.189 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -86.82 83.23 1.6 Allowed Glycine 0 N--CA 1.45 -0.37 0 N-CA-C 117.682 1.833 . . . . 67.77 117.682 -175.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.8 mt -97.37 139.19 33.68 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.336 -0.616 . . . . 53.69 109.336 175.011 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -109.26 140.76 42.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.915 0.388 . . . . 54.13 110.326 175.295 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.1 m -130.35 155.26 46.65 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.605 -0.887 . . . . 57.65 108.605 178.04 -62.805 73.377 106.486 110.391 2.03 103.832 -166.669 -159.749 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -102.77 176.64 5.09 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 105.295 -2.113 . . . . 79.64 105.295 168.735 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -66.98 156.41 36.03 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.919 -0.712 . . . . 83.39 109.933 173.907 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 40.6 m80 65.5 13.47 8.89 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.895 1.072 . . . . 60.59 113.895 -178.354 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.3 m -71.19 139.37 50.13 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 107.954 -1.128 . . . . 63.82 107.954 172.495 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.4 m -89.89 84.51 6.23 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 109.129 -0.693 . . . . 57.93 109.129 172.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -138.04 124.29 20.47 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 114.054 1.131 . . . . 47.87 114.054 -174.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 91.2 p -96.68 -18.84 19.41 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.824 0.675 . . . . 73.45 112.824 178.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -80.68 163.98 23.16 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 112.84 0.681 . . . . 59.59 112.84 -176.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.508 ' HB3' ' CE2' ' A' ' 2' ' ' PHE . 42.6 t -58.42 111.91 1.39 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.537 -0.756 . . . . 50.5 110.031 178.76 176.012 50.145 79.043 105.371 2.035 103.936 58.74 -167.643 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.2 t -135.14 165.12 26.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.519 0.676 . . . . 53.67 111.063 -174.716 -159.749 -166.669 106.486 103.832 2.03 110.391 73.377 -62.805 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.7 ttt-85 -105.89 123.94 48.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.964 -1.017 . . . . 50.25 110.265 -178.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -113.74 151.15 44.4 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.562 -0.744 . . . . 50.45 110.869 -173.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -73.83 151.18 45.41 Favored 'Trans proline' 0 N--CA 1.464 -0.228 0 O-C-N 122.637 0.809 . . . . 53.81 111.579 -178.275 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 tt -162.97 123.5 2.35 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 106.694 -1.595 . . . . 69.33 106.694 174.076 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.2 m -96.06 123.35 39.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.731 -0.668 . . . . 60.28 110.69 175.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.2 t -91.81 120.93 41.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 107.601 -1.259 . . . . 58.19 107.601 170.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.968 ' OD2' ' NH1' ' A' ' 37' ' ' ARG . 21.0 t0 -118.06 99.92 7.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.085 -0.507 . . . . 77.89 110.436 -172.926 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -70.47 -38.59 74.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.952 -0.567 . . . . 81.76 112.081 -177.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.539 ' OE1' ' NH2' ' A' ' 37' ' ' ARG . 18.0 tt0 -66.76 -44.7 80.72 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.954 0.353 . . . . 95.54 111.954 -178.436 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.01 -35.03 74.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.404 -0.362 . . . . 129.29 111.083 179.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.413 ' HE2' ' NE1' ' A' ' 29' ' ' TRP . 90.2 t80 -64.77 -24.43 67.55 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.858 -0.337 . . . . 116.85 111.439 176.039 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.28 -5.27 48.89 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 117.404 1.722 . . . . 93.12 117.404 -178.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.413 ' NE1' ' HE2' ' A' ' 27' ' ' PHE . 34.0 m0 -66.7 78.5 0.11 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 117.898 0.849 . . . . 111.23 109.62 173.515 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -75.72 -13.09 60.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.815 -1.084 . . . . 114.81 111.702 -175.108 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 -72.58 -13.31 61.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.652 -0.704 . . . . 96.62 112.486 173.532 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.3 mt -91.07 111.17 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.058 0.456 . . . . 75.02 110.055 176.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.4 mt -74.58 -53.3 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.675 -0.693 . . . . 87.78 111.522 -178.443 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -151.36 142.38 15.25 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 79.51 110.163 179.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.515 ' HB3' ' H12' ' A' ' 203' ' ' MPD . 32.8 Cg_endo -82.01 147.1 66.58 Favored 'Cis proline' 0 C--N 1.344 0.336 0 O-C-N 122.609 0.794 . . . . 65.05 112.074 -0.43 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -65.58 -35.72 81.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.611 0.719 . . . . 86.35 109.422 178.44 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.968 ' NH1' ' OD2' ' A' ' 23' ' ' ASP . 6.2 ptp180 -154.4 147.65 24.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.584 -1.189 . . . . 87.68 107.97 -174.084 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -154.24 162.22 41.32 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.814 -0.754 . . . . 64.25 111.933 177.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -85.76 108.77 18.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.377 -0.828 . . . . 78.58 110.277 -178.589 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.89 -42.47 8.29 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.917 0.339 . . . . 59.17 111.917 -177.575 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 22.9 m-20 63.34 171.75 0.16 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.545 0.738 . . . . 53.48 112.772 -176.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -156.69 174.48 15.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.068 -0.514 . . . . 50.53 111.214 174.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 65.1 m -112.22 141.05 46.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 48.75 110.727 -177.601 -57.577 -58.706 -83.373 100.659 2.034 103.712 -78.308 -61.535 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.1 t -158.23 145.6 18.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.832 -0.622 . . . . 56.81 110.783 178.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.445 ' HA3' ' HA ' ' A' ' 15' ' ' CYS . . . 140.57 175.86 14.84 Favored Glycine 0 N--CA 1.453 -0.207 0 CA-C-N 116.116 -0.493 . . . . 60.24 111.892 -179.794 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -99.19 149.54 22.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.011 0.434 . . . . 106.7 111.871 -177.533 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 71.9 m -123.67 111.26 15.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 81.88 111.218 -179.734 -62.764 -84.637 -78.027 93.119 2.028 114.548 -77.089 -62.092 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . . . -94.28 155.03 17.22 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 113.327 0.862 . . . . 105.51 113.327 179.553 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . . . -160.83 119.75 2.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.765 -0.652 . . . . 141.7 109.854 175.17 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 128.2 111.318 -177.294 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--O 1.236 0.374 0 N-CA-C 112.055 0.391 . . . . 130.5 112.055 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -54.78 -1.69 0.17 Allowed 'Trans proline' 0 CA--C 1.544 0.995 0 C-N-CA 123.71 2.94 . . . . 152.73 118.945 -175.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -94.68 -54.99 3.28 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 120.795 1.634 . . . . 145.83 111.734 167.177 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 55.81 28.06 51.58 Favored Glycine 0 C--N 1.33 0.223 0 N-CA-C 118.184 2.033 . . . . 106.44 118.184 176.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . . . -112.87 128.89 56.58 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.088 -0.338 . . . . 97.48 110.088 177.613 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -104.6 -36.3 7.53 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.294 0.479 . . . . 103.67 112.294 -179.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.5 145.05 45.33 Favored Glycine 0 N--CA 1.451 -0.329 0 N-CA-C 111.371 -0.691 . . . . 116.05 111.371 -178.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.27 137.27 50.93 Favored 'Trans proline' 0 C--N 1.342 0.208 0 O-C-N 122.899 0.947 . . . . 110.61 111.281 179.81 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 7.3 m -149.78 143.01 25.11 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.405 0.441 . . . . 119.0 111.666 -178.037 -84.774 -97.709 -131.567 92.512 2.038 90.671 -102.948 -86.12 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 17.5 t -71.86 93.89 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.839 -0.618 . . . . 63.79 110.006 178.31 -167.643 58.74 79.043 103.936 2.035 105.371 50.145 176.012 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 33.4 p -127.17 157.54 71.98 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.059 -0.518 . . . . 62.48 110.354 -176.222 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -57.97 123.03 12.74 Favored 'Trans proline' 0 C--N 1.342 0.226 0 O-C-N 122.738 0.862 . . . . 56.8 112.881 175.683 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 66.9 p -95.41 -8.28 36.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.293 0.568 . . . . 55.3 109.567 176.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.5 tttp -156.6 123.91 5.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.416 -0.811 . . . . 56.3 111.263 173.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 28.1 mtp -124.01 160.5 27.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 71.53 110.2 174.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 35.3 m -134.02 156.62 79.05 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 60.55 111.184 -178.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.482 ' HB3' ' HA ' ' A' ' 99' ' ' PRO . 56.9 Cg_endo -82.95 170.32 12.51 Favored 'Trans proline' 0 N--CA 1.465 -0.202 0 O-C-N 122.831 0.911 . . . . 56.43 112.72 179.931 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 36.2 pt -131.61 151.8 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 108.372 -0.973 . . . . 64.35 108.372 167.612 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -90.85 133.31 35.32 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.529 -0.545 . . . . 86.78 109.529 173.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 83.8 mtp -125.76 146.52 49.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.344 0.593 . . . . 70.86 111.913 179.618 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.4 tp -118.35 120.61 38.13 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 107.531 -1.285 . . . . 69.64 107.531 175.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -152.05 167.49 28.27 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 114.029 1.122 . . . . 71.89 114.029 -175.481 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -91.86 150.21 21.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.074 -0.966 . . . . 79.81 113.272 -179.014 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -106.52 -0.05 24.26 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.474 -0.784 . . . . 120.05 109.682 157.335 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 84.93 13.57 71.71 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.528 -0.76 . . . . 118.43 113.476 170.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -114.1 29.74 7.79 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 122.449 0.299 . . . . 142.93 110.902 -177.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 57.69 23.98 10.07 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 106.918 -1.512 . . . . 140.08 106.918 -163.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -105.53 105.52 15.59 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 114.925 -1.034 . . . . 108.99 108.759 -177.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 46.6 mt -100.26 130.32 49.64 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 N-CA-C 108.75 -0.833 . . . . 84.44 108.75 178.731 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 8.1 mt -113.36 128.79 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 80.89 110.974 -174.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -116.25 111.27 19.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.96 -0.564 . . . . 86.91 109.999 176.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -141.13 155.58 25.15 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.634 -0.793 . . . . 66.85 114.72 -173.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt -86.51 113.41 22.41 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.302 -0.629 . . . . 95.56 109.302 174.429 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 31.7 mm -101.36 116.72 63.35 Favored Pre-proline 0 C--N 1.327 -0.377 0 N-CA-C 109.255 -0.646 . . . . 63.18 109.255 -176.856 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.482 ' HA ' ' HB3' ' A' ' 81' ' ' PRO . 30.5 Cg_endo -81.07 157.21 20.28 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 121.664 1.576 . . . . 61.98 113.887 -169.668 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 53.05 54.93 9.62 Favored 'General case' 0 C--N 1.332 -0.16 0 O-C-N 124.087 0.867 . . . . 62.45 112.4 174.927 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 88.2 mmm -112.54 -18.19 12.46 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.558 0.577 . . . . 59.16 112.558 -179.132 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 73.8 t -124.47 120.36 58.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.543 -0.299 . . . . 53.04 111.733 -179.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 79.5 t -75.88 114.67 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.323 -0.621 . . . . 47.64 109.323 173.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -95.05 -24.2 17.01 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.758 0.651 . . . . 81.39 112.758 -179.619 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -161.45 141.29 10.48 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.576 -0.45 . . . . 73.98 111.509 -172.91 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 74.1 m -117.77 148.91 41.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 50.3 110.8 -177.414 -61.535 -78.308 -83.373 103.712 2.034 100.659 -58.706 -57.577 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -168.3 177.45 42.38 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.929 -0.653 . . . . 52.86 113.732 178.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 72.1 m -104.82 121.82 44.45 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.208 0.447 . . . . 94.15 112.208 -178.06 -62.092 -77.089 -78.027 114.548 2.028 93.119 -84.637 -62.764 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' SER . . . . . 0.519 ' OXT' ' OG ' ' A' ' 109' ' ' SER . 1.6 t . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 120.599 0.238 . . . . 145.73 111.2 176.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 9.7 t0 . . . . . 0 CA--C 1.528 0.124 0 N-CA-C 110.349 -0.241 . . . . 118.3 110.349 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -129.55 178.25 6.62 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.388 0.514 . . . . 88.54 112.388 -179.728 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -88.49 165.62 33.99 Favored Glycine 0 N--CA 1.451 -0.345 0 N-CA-C 108.963 -1.655 . . . . 61.35 108.963 178.768 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 14.5 tp -98.52 141.43 31.38 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.469 0.544 . . . . 68.88 112.469 177.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -108.39 140.41 41.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.959 0.409 . . . . 65.77 111.749 176.047 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 75.2 m -131.84 159.65 37.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.938 -0.573 . . . . 65.77 112.382 179.236 -63.495 77.352 104.023 105.066 2.029 104.738 -170.23 -160.485 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -109.0 -175.72 2.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.571 -0.74 . . . . 79.09 110.203 171.409 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -66.69 -13.87 61.81 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.651 0.611 . . . . 98.22 112.651 175.409 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 59.7 m170 -106.97 6.36 29.07 Favored 'General case' 0 C--O 1.233 0.237 0 N-CA-C 113.185 0.809 . . . . 109.29 113.185 -175.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 14.6 m -75.31 133.91 41.17 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.525 0.565 . . . . 74.92 112.525 175.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 69.3 p -95.87 60.48 2.1 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.718 -0.845 . . . . 81.27 108.718 168.775 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.41 ' OE2' ' NE ' ' B' ' 14' ' ' ARG . 16.8 tp10 -107.69 124.19 49.63 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.415 -0.587 . . . . 81.05 109.415 -173.585 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 93.4 p -93.92 -18.98 21.37 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 113.144 0.794 . . . . 85.97 113.144 -177.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.41 ' NE ' ' OE2' ' B' ' 12' ' ' GLU . 28.9 mtm180 -81.46 166.16 20.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.863 0.363 . . . . 79.18 111.339 -177.974 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 44.0 t -56.31 111.68 1.04 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.737 -0.665 . . . . 68.74 110.601 179.867 176.328 44.706 78.844 101.986 2.033 100.414 55.534 -168.05 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 6.8 t -134.32 163.51 29.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.449 . . . . 65.4 111.134 -174.905 -160.485 -170.23 104.023 104.738 2.029 105.066 77.352 -63.495 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.419 ' NH2' ' O ' ' B' ' 302' ' ' HOH . 8.9 ttt180 -107.84 124.83 50.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.653 -0.703 . . . . 54.07 111.294 -177.459 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -114.66 151.5 45.38 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.299 -0.41 . . . . 57.9 110.508 -173.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -74.08 151.28 44.24 Favored 'Trans proline' 0 C--O 1.231 0.159 0 O-C-N 122.405 0.687 . . . . 49.99 112.161 -179.838 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 35.1 tp -163.17 127.37 2.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.173 0.511 . . . . 47.17 111.731 176.301 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 24.4 m -94.16 122.92 37.18 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.519 -0.764 . . . . 35.52 109.589 174.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 23.5 t -91.68 122.91 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 108.951 -0.759 . . . . 45.97 108.951 171.042 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -116.93 100.99 8.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.866 -0.607 . . . . 57.62 110.66 -172.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -68.3 -37.05 80.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.87 -0.605 . . . . 49.04 111.039 -177.448 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -64.86 -39.69 93.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.006 -0.543 . . . . 66.05 109.567 -179.083 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.409 ' O ' ' H31' ' B' ' 201' ' ' MPD . . . -67.07 -34.32 77.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.013 -0.539 . . . . 60.91 110.369 178.82 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -64.39 -25.3 67.96 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.536 -0.542 . . . . 65.52 109.536 174.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.39 -4.23 58.3 Favored Glycine 0 N--CA 1.45 -0.377 0 N-CA-C 111.598 -0.601 . . . . 61.01 111.598 -178.173 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' TRP . . . . . . . . . . . . . 51.5 m0 -67.27 75.66 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.567 0.222 . . . . 81.09 111.046 179.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ASP . . . . . 0.461 ' OD2' ' N ' ' B' ' 30' ' ' ASP . 8.6 p-10 -78.1 -7.6 57.19 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.553 0.945 . . . . 109.11 113.553 -175.376 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' TRP . . . . . . . . . . . . . 29.6 p90 -69.1 -13.61 62.53 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 120.166 -0.614 . . . . 75.7 109.986 176.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 39.8 mt -89.29 111.8 23.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.972 -0.558 . . . . 59.58 110.122 179.646 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 49.8 mt -73.66 -55.57 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.946 -0.57 . . . . 60.7 111.442 -178.245 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -152.44 141.34 14.09 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 56.82 111.187 179.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -86.51 145.82 33.74 Favored 'Cis proline' 0 C--O 1.233 0.232 0 C-N-CA 123.142 -1.607 . . . . 49.49 113.266 -3.118 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -66.07 -27.68 68.26 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.884 -0.784 . . . . 68.52 108.884 172.475 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 8.8 ttm105 -147.83 142.5 26.63 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.475 -0.784 . . . . 62.9 111.177 -169.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -158.05 160.46 37.42 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.727 0.299 . . . . 44.67 111.478 175.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -87.72 109.54 19.78 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.21 -0.45 . . . . 78.69 111.162 179.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.3 -39.99 9.37 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.933 0.716 . . . . 38.11 112.933 -177.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 65.5 172.74 0.22 Allowed 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.665 0.786 . . . . 37.04 111.609 -174.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -155.67 173.79 16.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.932 0.396 . . . . 51.01 111.288 175.214 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 62.2 m -113.05 142.06 46.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.994 -0.548 . . . . 48.86 110.656 -176.949 -56.638 -60.539 -81.929 100.605 2.031 107.971 -78.08 -62.599 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 36.2 t -157.87 145.16 18.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.277 -0.42 . . . . 55.5 110.377 177.078 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 140.15 176.42 15.06 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.228 -0.51 . . . . 69.82 112.679 -179.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -98.55 152.03 20.01 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.963 0.727 . . . . 74.42 112.963 -176.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' CYS . . . . . . . . . . . . . 86.7 m -121.51 112.9 19.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.666 -0.697 . . . . 84.81 110.038 179.674 -64.571 -72.886 -89.546 96.237 2.03 98.125 -85.661 -62.291 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.447 -0.342 . . . . 104.92 111.814 -178.474 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo . . . . . 0 C--O 1.232 0.188 0 N-CA-C 114.519 0.93 . . . . 111.67 114.519 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 13.5 ttt85 -91.9 130.37 37.67 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.123 -1.066 . . . . 100.27 108.123 166.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -101.41 29.44 12.5 Favored Glycine 0 CA--C 1.517 0.205 0 N-CA-C 117.839 1.896 . . . . 78.41 117.839 -177.759 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . . . -111.01 128.34 55.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 117.394 0.597 . . . . 86.99 110.775 178.903 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.17 -35.61 8.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.959 -0.564 . . . . 91.46 110.98 -179.267 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.04 146.19 43.07 Favored Glycine 0 C--N 1.331 0.293 0 N-CA-C 110.746 -0.941 . . . . 93.02 110.746 -179.441 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -64.67 137.49 54.51 Favored 'Trans proline' 0 C--N 1.342 0.236 0 O-C-N 122.844 0.918 . . . . 97.68 111.49 -179.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' CYS . . . . . . . . . . . . . 5.2 m -148.99 143.45 26.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.953 0.406 . . . . 125.15 111.763 -177.556 -86.12 -102.948 -131.567 90.671 2.038 92.512 -97.709 -84.774 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 18.8 t -71.03 95.72 1.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.1 -0.704 . . . . 57.37 109.1 178.294 -168.05 55.534 78.844 100.414 2.033 101.986 44.706 176.328 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 9.8 t -125.72 156.03 71.65 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.844 -0.616 . . . . 74.47 109.399 -175.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -58.34 122.16 11.21 Favored 'Trans proline' 0 C--N 1.345 0.382 0 O-C-N 122.683 0.833 . . . . 49.14 111.254 175.021 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 74.9 p -96.3 -8.93 31.4 Favored 'General case' 0 C--N 1.328 -0.326 0 O-C-N 123.392 0.433 . . . . 49.49 111.586 177.82 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' LYS . . . . . 0.521 ' HD3' ' HB2' ' B' ' 104' ' ' ASP . 1.5 tmtp? -157.37 125.55 5.52 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.888 -0.782 . . . . 52.23 108.888 171.026 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 27.4 mtp -122.87 161.91 23.2 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.845 -0.616 . . . . 54.42 110.221 175.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 15.0 p -131.58 156.48 80.06 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 109.059 -0.719 . . . . 40.56 109.059 -178.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' PRO . . . . . 0.564 ' HG3' ' HE3' ' B' ' 97' ' ' LYS . 57.6 Cg_endo -82.56 170.09 13.25 Favored 'Trans proline' 0 CA--C 1.521 -0.169 0 O-C-N 122.513 0.744 . . . . 45.39 113.471 -177.628 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 37.7 pt -131.82 152.85 37.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 108.547 -0.908 . . . . 50.68 108.547 167.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -90.23 133.25 35.04 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.705 -0.398 . . . . 64.05 110.512 173.896 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 85.1 mtp -126.42 148.65 49.6 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.973 0.731 . . . . 94.13 112.973 179.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 20.6 tp -117.79 121.53 41.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.887 -1.052 . . . . 63.12 108.427 174.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 38.3 p90 -150.58 164.86 34.98 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 114.579 1.326 . . . . 69.62 114.579 -176.613 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -91.16 149.61 21.72 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.043 -0.981 . . . . 74.91 111.128 -179.155 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -111.39 -0.17 16.4 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 119.919 -0.712 . . . . 127.48 110.35 159.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 84.62 13.41 72.94 Favored Glycine 0 C--N 1.331 0.274 0 CA-C-N 115.952 -0.567 . . . . 114.18 113.875 170.614 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -113.44 29.42 8.0 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.848 -0.797 . . . . 138.04 108.848 -176.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . . . 57.37 23.57 9.1 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 108.298 -1.001 . . . . 133.16 108.298 -162.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -107.46 106.13 16.37 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.296 -0.865 . . . . 114.16 111.829 -176.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 50.9 mt -100.7 131.47 48.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 81.11 110.744 177.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 8.2 mt -113.62 129.91 68.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 75.13 111.895 -175.784 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -115.19 110.4 19.41 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.032 -1.099 . . . . 81.47 108.032 175.284 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . -141.18 155.16 24.96 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 116.022 1.169 . . . . 55.97 116.022 -172.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' LYS . . . . . 0.564 ' HE3' ' HG3' ' B' ' 81' ' ' PRO . 49.1 tttt -87.06 112.96 22.39 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.16 -0.682 . . . . 85.69 109.16 174.971 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' ILE . . . . . 0.41 ' HA ' ' HD3' ' B' ' 99' ' ' PRO . 28.6 mm -102.05 117.48 61.32 Favored Pre-proline 0 C--N 1.328 -0.345 0 N-CA-C 109.707 -0.479 . . . . 55.58 109.707 -176.49 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' PRO . . . . . 0.422 ' HA ' ' HB3' ' B' ' 81' ' ' PRO . 3.8 Cg_exo -80.01 157.32 23.68 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.411 2.074 . . . . 52.3 112.851 -169.881 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . 52.69 56.34 7.76 Favored 'General case' 0 C--N 1.333 -0.148 0 O-C-N 124.123 0.889 . . . . 58.84 112.614 174.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 89.1 mmm -113.23 -17.75 12.26 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.486 0.55 . . . . 49.65 112.486 -179.856 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 72.4 t -123.36 121.47 62.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 112.118 0.414 . . . . 39.02 112.118 -179.125 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 70.0 t -74.81 113.21 13.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.048 -0.723 . . . . 36.87 109.048 173.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' ASP . . . . . 0.521 ' HB2' ' HD3' ' B' ' 78' ' ' LYS . 58.9 m-20 -95.27 -23.3 17.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 53.26 111.103 179.725 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -160.03 140.41 11.8 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.745 0.646 . . . . 77.21 112.745 -171.635 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 71.1 m -118.81 148.92 42.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.853 -0.612 . . . . 44.19 110.689 -178.96 -62.599 -78.08 -81.929 107.971 2.031 100.605 -60.539 -56.638 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -168.04 179.26 41.36 Favored Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 109.369 -1.492 . . . . 56.14 109.369 179.371 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 71.4 m -101.02 118.49 37.11 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 119.87 -0.732 . . . . 75.23 109.109 -178.494 -62.291 -85.661 -89.546 98.125 2.03 96.237 -72.886 -64.571 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 CA--C 1.531 0.249 0 C-N-CA 123.686 0.794 . . . . 148.04 112.377 179.737 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' MPD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' MPD . . . . . 0.44 ' H11' ' H4 ' ' A' ' 202' ' ' MPD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' MPD . . . . . 0.515 ' H12' ' HB3' ' A' ' 35' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' MPD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' MPD . . . . . 0.409 ' H31' ' O ' ' B' ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' MPD . . . . . 0.46 ' H4 ' ' H12' ' B' ' 202' ' ' MPD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' MPD . . . . . 0.598 ' O4 ' ' O2 ' ' B' ' 203' ' ' MPD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 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 ' B' B ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 302' ' ' HOH . . . . . 0.419 ' O ' ' NH2' ' B' ' 17' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_