data_6oug_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6oug _Structure_validation_residue.Date_analyzed 2020-01-10 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 ' 22' ' ' SER . . . . . . . . . . . . . 69.7 m . . . . . 0 CA--C 1.521 -0.145 0 CA-C-O 120.467 0.175 . . . . 66.900000000000006 111.057 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.5 t -153.41 97.88 2.19 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 108.712 -0.848 . . . . 57.579999999999998 108.712 -178.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -108.8 124.72 33.47 Favored Pre-proline 0 C--O 1.24 0.575 0 N-CA-C 106.837 -1.542 . . . . 49.060000000000002 106.837 161.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -56.5 -41.48 75.64 Favored 'Trans proline' 0 C--O 1.238 0.512 0 CA-C-N 120.052 1.054 . . . . 61.549999999999997 112.789 179.039 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.8 tp -62.65 -40.8 98.19 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 120.877 -0.329 . . . . 37.509999999999998 111.313 177.049 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.91 -41.7 82.24 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.346 -0.542 . . . . 37.880000000000003 111.458 -178.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.0 t -64.87 -41.86 93.3 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 C-N-CA 120.68 -0.408 . . . . 38.469999999999999 110.559 177.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.3 -47.92 83.96 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 121.954 -0.466 . . . . 31.77 110.945 177.038 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.9 -31.31 72.17 Favored 'General case' 0 CA--C 1.521 -0.165 0 C-N-CA 120.43 -0.508 . . . . 27.530000000000001 111.814 -179.601 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.2 m -69.09 -49.1 60.26 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 120.566 -0.454 . . . . 30.57 111.107 178.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.2 mt -59.83 -38.5 76.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.474 0 C-N-CA 120.303 -0.559 . . . . 26.530000000000001 110.243 176.162 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.4 mm -66.71 -38.77 82.23 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 O-C-N 121.997 -0.44 . . . . 20.800000000000001 110.694 179.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.37 -39.05 94.09 Favored Glycine 0 C--N 1.334 0.423 0 C-N-CA 120.083 -1.056 . . . . 24.359999999999999 112.558 177.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.7 mt -64.63 -49.19 81.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 C-N-CA 120.199 -0.6 . . . . 24.109999999999999 110.406 177.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.0 tp -61.32 -32.91 72.79 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.204 -0.599 . . . . 23.559999999999999 111.447 177.606 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -68.96 -43.86 74.12 Favored 'General case' 0 C--O 1.235 0.302 0 O-C-N 122.209 -0.307 . . . . 24.609999999999999 110.902 179.658 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.4 tp -58.58 -44.4 89.78 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 119.958 -0.697 . . . . 24.84 110.841 174.002 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.4 mt -62.92 -47.35 93.22 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 CA-C-O 121.244 0.545 . . . . 23.93 110.7 -178.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.6 mt -68.42 -39.87 81.42 Favored 'General case' 0 C--O 1.234 0.238 0 O-C-N 121.856 -0.527 . . . . 33.520000000000003 111.518 -176.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -68.37 -32.77 73.08 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 119.029 -1.068 . . . . 32.119999999999997 111.104 177.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.6 mt -64.31 -45.27 96.58 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 C-N-CA 120.536 -0.465 . . . . 33.57 110.223 175.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.1 mt -67.11 -40.69 86.92 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 119.722 -0.791 . . . . 31.23 111.47 179.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -59.37 -54.17 49.75 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.649 0.261 . . . . 48.159999999999997 111.101 177.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -69.04 -26.27 64.89 Favored 'General case' 0 CA--C 1.521 -0.154 0 C-N-CA 119.797 -0.761 . . . . 39.640000000000001 111.797 -179.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.5 tt -67.5 -51.94 45.11 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.269 -0.572 . . . . 40.420000000000002 110.62 177.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -71.3 -23.19 61.91 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 118.567 -1.253 . . . . 44.310000000000002 111.792 178.292 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -71.03 -46.2 62.53 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 120.296 -0.561 . . . . 50.060000000000002 111.046 175.666 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.5 mttm -64.14 -34.99 79.33 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 108.055 -1.091 . . . . 57.780000000000001 108.055 178.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.7 t -63.58 -50.94 67.5 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 124.832 1.333 . . . . 60.810000000000002 108.769 178.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . . . -57.99 -39.55 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 N-CA-C 107.474 -1.306 . . . . 65.170000000000002 107.474 178.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . . . -84.06 6.17 23.19 Favored 'General case' 0 C--O 1.236 0.352 0 O-C-N 124.859 1.349 . . . . 58.170000000000002 112.361 178.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . . . -98.18 -28.94 13.49 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 112.555 0.576 . . . . 76.549999999999997 112.555 170.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . . . -82.5 -10.57 58.95 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 112.708 0.633 . . . . 76.150000000000006 112.708 173.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -108.27 16.54 23.11 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 123.07 0.548 . . . . 54.880000000000003 112.168 176.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.236 0 CA-C-O 120.809 0.338 . . . . 55.0 110.662 178.418 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t70 . . . . . 0 C--O 1.233 0.203 0 N-CA-C 110.387 -0.227 . . . . 33.939999999999998 110.387 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -54.93 -37.83 93.09 Favored 'Trans proline' 0 C--O 1.237 0.465 0 O-C-N 122.963 0.981 . . . . 27.140000000000001 113.333 173.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 27.6 tp -64.94 -43.54 92.4 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.652 -0.419 . . . . 26.989999999999998 111.225 177.648 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.45 -40.42 97.1 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.422 -0.511 . . . . 23.649999999999999 111.232 178.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 70.7 t -65.19 -44.89 95.22 Favored 'Isoleucine or valine' 0 C--O 1.241 0.621 0 CA-C-O 121.026 0.441 . . . . 25.440000000000001 110.598 179.106 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.06 -46.84 88.22 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 122.003 -0.435 . . . . 22.09 111.022 178.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.25 -37.11 86.31 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 120.488 -0.485 . . . . 24.550000000000001 111.439 -179.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 16.3 m -65.24 -47.55 76.37 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 121.043 0.449 . . . . 28.039999999999999 110.977 179.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 49.4 mm -67.07 -37.82 80.03 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 C-N-CA 120.095 -0.642 . . . . 24.539999999999999 110.568 -178.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 7.5 mt -62.76 -40.2 87.74 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.204 0 O-C-N 121.912 -0.493 . . . . 21.07 110.84 175.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.19 -40.11 96.55 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 119.862 -1.161 . . . . 25.100000000000001 112.534 178.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 89.6 mt -65.83 -49.15 79.14 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 122.198 -0.589 . . . . 21.390000000000001 110.534 178.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 26.8 tp -61.35 -34.12 74.76 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 120.141 -0.624 . . . . 22.390000000000001 111.526 177.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -64.4 -47.45 79.17 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 120.66 0.267 . . . . 21.940000000000001 110.68 178.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 35.3 tp -62.05 -42.23 98.96 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 119.587 -0.845 . . . . 30.789999999999999 111.254 177.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 66.3 mt -64.15 -47.54 89.61 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 C-N-CA 120.238 -0.585 . . . . 28.800000000000001 110.736 -178.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 79.9 mt -67.95 -35.06 77.77 Favored 'General case' 0 C--O 1.234 0.272 0 O-C-N 121.808 -0.557 . . . . 25.960000000000001 111.276 -178.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 80.1 t90 -67.79 -34.27 76.44 Favored 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 120.236 -0.586 . . . . 39.130000000000003 111.41 175.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 3.5 mt -68.72 -42.78 83.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 C-N-CA 120.407 -0.517 . . . . 35.0 110.6 176.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 78.9 mt -62.32 -41.37 98.49 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 119.781 -0.768 . . . . 30.440000000000001 110.894 175.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' ASP . . . . . 0.553 ' OD2' ' NH2' ' B' ' 45' ' ' ARG . 29.7 t70 -62.55 -40.04 95.55 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 120.623 0.249 . . . . 33.119999999999997 111.218 176.961 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' ARG . . . . . 0.553 ' NH2' ' OD2' ' B' ' 44' ' ' ASP . 2.9 mmp_? -69.39 -38.71 78.11 Favored 'General case' 0 CA--C 1.519 -0.247 0 C-N-CA 120.873 -0.331 . . . . 36.399999999999999 111.18 -179.172 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.96 -44.67 92.07 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 120.007 -0.677 . . . . 36.850000000000001 110.666 175.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -53.44 -57.51 10.39 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.148 0.499 . . . . 38.350000000000001 110.845 175.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -74.29 -25.2 59.45 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 112.738 0.644 . . . . 46.280000000000001 112.738 -173.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . . . -74.8 -37.47 62.36 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 118.927 0.785 . . . . 48.5 111.349 176.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 99.5 p -76.5 -16.95 59.52 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 120.043 -0.663 . . . . 63.039999999999999 112.225 173.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . . . -87.21 -31.25 5.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 N-CA-C 112.151 0.426 . . . . 50.149999999999999 112.151 175.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . . . -106.13 14.03 28.24 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 121.946 -0.471 . . . . 48.68 112.225 177.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . . . -91.83 -8.27 47.06 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 112.49 0.552 . . . . 67.930000000000007 112.49 172.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . . . -79.59 -25.35 41.55 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 118.121 0.419 . . . . 65.170000000000002 111.94 176.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . . . -70.12 -29.54 66.51 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.507 -0.477 . . . . 66.120000000000005 111.833 179.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.747 0.308 . . . . 60.579999999999998 111.027 179.697 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 N--CA 1.458 -0.055 0 CA-C-O 120.722 0.296 . . . . 30.07 111.422 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -70.47 135.01 86.43 Favored Pre-proline 0 C--O 1.238 0.457 0 N-CA-C 109.185 -0.672 . . . . 32.920000000000002 109.185 173.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -55.34 -41.36 78.97 Favored 'Trans proline' 0 C--O 1.238 0.522 0 CA-C-N 118.316 0.434 . . . . 31.140000000000001 113.015 177.173 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 mt -64.37 -41.23 96.83 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 120.145 -0.622 . . . . 31.940000000000001 111.188 178.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.38 -45.46 91.02 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.438 -0.505 . . . . 30.800000000000001 111.239 179.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 76.9 t -67.13 -44.84 87.69 Favored 'Isoleucine or valine' 0 C--O 1.241 0.629 0 C-N-CA 120.381 -0.528 . . . . 23.530000000000001 110.763 -178.029 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.49 -40.76 97.75 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 121.845 -0.535 . . . . 23.09 111.153 178.405 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.27 -38.79 92.28 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.693 -0.403 . . . . 23.539999999999999 111.25 178.014 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 95.6 p -62.49 -52.07 64.95 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-O 121.057 0.456 . . . . 28.129999999999999 111.168 177.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 70.6 mt -61.16 -37.95 78.6 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 CA-C-O 121.063 0.459 . . . . 22.879999999999999 110.486 -179.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 6.6 mt -70.68 -35.54 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 O-C-N 122.003 -0.436 . . . . 23.350000000000001 110.647 -177.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.63 -42.3 97.38 Favored Glycine 0 C--N 1.333 0.377 0 C-N-CA 119.776 -1.202 . . . . 25.82 112.356 174.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 64.4 mt -60.05 -53.75 44.29 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 C-N-CA 120.38 -0.528 . . . . 32.759999999999998 110.43 176.674 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 16.0 tp -60.03 -34.15 72.99 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 122.08 -0.387 . . . . 24.969999999999999 111.676 179.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -67.57 -45.21 76.25 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 122.286 -0.259 . . . . 25.449999999999999 110.757 -178.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 31.7 tp -65.7 -37.49 86.61 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 118.465 -1.294 . . . . 29.59 111.271 177.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 19.5 mt -63.1 -51.38 72.38 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 C-N-CA 119.805 -0.758 . . . . 26.649999999999999 110.669 179.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 23.0 mt -63.58 -31.02 72.07 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 120.196 -0.601 . . . . 23.550000000000001 111.507 179.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 72.3 t90 -68.66 -43.56 75.96 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 119.719 -0.792 . . . . 33.799999999999997 111.208 178.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 2.6 pt -67.93 -31.1 50.59 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.165 0 C-N-CA 118.497 -1.281 . . . . 34.420000000000002 110.4 178.674 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 76.1 mt -70.1 -46.65 64.41 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 119.401 -0.92 . . . . 31.309999999999999 111.289 177.472 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -58.37 -49.52 76.93 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 120.814 0.34 . . . . 37.0 110.975 176.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -72.5 -22.94 60.97 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 120.151 -0.62 . . . . 37.640000000000001 112.549 -178.815 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 9.3 tt -67.34 -47.14 71.35 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 119.057 0.844 . . . . 45.850000000000001 110.365 170.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . . . -55.5 -47.4 76.28 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.457 -0.497 . . . . 45.090000000000003 110.92 174.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 12.2 m-30 -73.3 -34.14 65.57 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 119.833 -0.747 . . . . 44.520000000000003 112.232 -174.139 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -73.7 -33.01 64.21 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 118.387 0.539 . . . . 54.880000000000003 111.362 177.891 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 97.3 p -69.13 -34.32 74.84 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 119.878 -0.729 . . . . 63.799999999999997 111.263 172.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . . . -68.72 -45.34 81.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 C-N-CA 120.272 -0.571 . . . . 60.200000000000003 110.666 177.495 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 52' ' ' TYR . . . . . . . . . . . . . . . -75.98 -11.68 60.0 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 112.892 0.701 . . . . 60.579999999999998 112.892 178.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . . . -86.08 14.56 6.1 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 118.36 0.527 . . . . 69.299999999999997 112.408 176.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 54' ' ' PHE . . . . . . . . . . . . . . . -121.27 -26.67 5.01 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 113.669 0.989 . . . . 80.670000000000002 113.669 177.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 55' ' ' PHE . . . . . . . . . . . . . . . -103.4 26.85 7.89 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 118.509 0.595 . . . . 68.540000000000006 112.325 179.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.807 0.336 . . . . 79.140000000000001 111.118 179.788 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 47.2 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.836 0.351 . . . . 51.259999999999998 111.036 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -98.82 166.04 13.87 Favored Pre-proline 0 C--N 1.323 -0.575 0 C-N-CA 123.659 0.784 . . . . 49.520000000000003 110.294 179.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -53.01 -34.77 68.92 Favored 'Trans proline' 0 CA--C 1.515 -0.469 0 N-CA-C 113.941 0.708 . . . . 39.469999999999999 113.941 179.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 22.8 tp -59.09 -49.03 79.44 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.364 -0.534 . . . . 31.550000000000001 110.849 176.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.91 -39.18 87.31 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.487 -0.485 . . . . 33.549999999999997 111.556 -178.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 30.4 t -65.79 -47.49 85.58 Favored 'Isoleucine or valine' 0 C--O 1.241 0.646 0 C-N-CA 120.157 -0.617 . . . . 40.420000000000002 110.59 -179.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.01 -40.13 92.39 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 120.663 -0.415 . . . . 28.010000000000002 111.131 177.065 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.21 -36.23 83.53 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 120.318 -0.553 . . . . 27.09 111.369 179.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 49.4 m -67.03 -48.44 68.33 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 120.532 -0.467 . . . . 30.350000000000001 110.919 177.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 25.2 mt -57.11 -41.29 77.42 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 C-N-CA 120.374 -0.53 . . . . 25.210000000000001 110.347 176.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 13.3 mt -70.48 -36.65 67.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 O-C-N 122.085 -0.384 . . . . 23.010000000000002 110.781 -176.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.72 -39.36 90.25 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.024 -1.084 . . . . 24.149999999999999 112.573 177.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 69.7 mt -63.24 -45.1 99.23 Favored 'Isoleucine or valine' 0 C--O 1.243 0.736 0 C-N-CA 119.845 -0.742 . . . . 22.940000000000001 110.448 175.232 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 29.0 tp -58.31 -40.6 82.48 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 122.015 -0.428 . . . . 28.620000000000001 111.244 175.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -65.33 -43.74 90.01 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 121.048 -0.261 . . . . 24.09 111.084 -178.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 11.1 tp -59.91 -46.75 88.36 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 119.63 -0.828 . . . . 29.129999999999999 110.943 176.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 60.9 mt -62.1 -43.25 97.52 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 C-N-CA 120.085 -0.646 . . . . 28.620000000000001 110.832 -178.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 29.7 mt -65.45 -45.55 83.35 Favored 'General case' 0 C--O 1.237 0.416 0 O-C-N 121.853 -0.529 . . . . 34.340000000000003 111.237 -178.319 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -67.71 -29.69 69.0 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 118.94 -1.104 . . . . 32.32 111.099 179.408 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 4.8 mm -62.96 -46.75 95.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-O 120.8 0.333 . . . . 32.009999999999998 110.199 174.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 pp -65.14 -38.17 89.76 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 118.968 -1.093 . . . . 36.890000000000001 110.814 179.522 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -62.88 -50.04 72.47 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 120.925 0.393 . . . . 34.780000000000001 111.072 -179.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.08 -30.97 68.34 Favored 'General case' 0 CA--C 1.521 -0.16 0 C-N-CA 120.072 -0.651 . . . . 38.869999999999997 111.926 -179.151 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 12.2 tp -67.01 -43.19 83.49 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 120.132 -0.627 . . . . 42.280000000000001 110.948 175.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -61.26 -45.13 95.77 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.966 -0.294 . . . . 49.280000000000001 111.165 176.173 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -69.25 -36.83 77.55 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 119.594 -0.842 . . . . 48.619999999999997 111.697 -178.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . . . -72.78 -29.27 63.16 Favored 'General case' 0 C--O 1.234 0.255 0 O-C-N 121.832 -0.543 . . . . 58.210000000000001 111.698 178.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 97.8 p -75.51 -30.48 59.83 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.4 -0.52 . . . . 83.930000000000007 111.596 174.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . . . -74.95 -33.64 30.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 C-N-CA 119.908 -0.717 . . . . 65.790000000000006 110.987 175.024 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 52' ' ' TYR . . . . . . . . . . . . . . . -92.2 3.66 54.88 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 112.852 0.686 . . . . 58.710000000000001 112.852 178.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . . . -105.8 -0.9 24.93 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 112.33 0.493 . . . . 73.819999999999993 112.33 174.324 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 54' ' ' PHE . . . . . . . . . . . . . . . -120.09 -18.66 8.04 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 113.538 0.94 . . . . 91.760000000000005 113.538 174.541 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 55' ' ' PHE . . . . . . . . . . . . . . . -114.3 26.87 9.91 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 118.609 0.64 . . . . 79.569999999999993 111.788 176.755 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.224 0 CA-C-O 120.99 0.424 . . . . 82.25 110.54 179.314 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 23' ' ' SER . . . . . . . . . . . . . 68.4 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.941 0.401 . . . . 51.350000000000001 111.12 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 24' ' ' ASP . . . . . 0.561 ' OD1' ' N ' ' E' ' 27' ' ' ALA . 2.5 p30 -128.11 153.36 78.56 Favored Pre-proline 0 C--O 1.237 0.441 0 C-N-CA 123.184 0.594 . . . . 58.43 109.426 178.158 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 25' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -58.57 -32.64 97.04 Favored 'Trans proline' 0 CA--C 1.512 -0.584 0 O-C-N 121.948 0.446 . . . . 60.32 112.978 -179.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 26' ' ' LEU . . . . . . . . . . . . . 19.9 tp -62.21 -47.86 82.59 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.42 -0.512 . . . . 70.370000000000005 110.998 177.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 27' ' ' ALA . . . . . 0.561 ' N ' ' OD1' ' E' ' 24' ' ' ASP . . . -67.2 -39.6 86.35 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.381 -0.528 . . . . 63.969999999999999 111.588 -179.876 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 28' ' ' VAL . . . . . . . . . . . . . 99.4 t -65.0 -45.77 93.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 C-N-CA 120.345 -0.542 . . . . 57.170000000000002 110.499 -179.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.32 -35.76 81.91 Favored 'General case' 0 C--O 1.234 0.244 0 O-C-N 121.961 -0.462 . . . . 55.899999999999999 111.133 177.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.82 -38.89 92.49 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.126 -0.63 . . . . 56.960000000000001 111.196 176.777 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 31' ' ' SER . . . . . . . . . . . . . 75.2 m -64.91 -47.2 78.6 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 120.399 -0.52 . . . . 56.630000000000003 111.013 177.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 26.1 mt -60.27 -40.12 82.82 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 C-N-CA 120.417 -0.513 . . . . 57.359999999999999 110.53 178.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 mp -67.86 -39.48 81.88 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.142 0 O-C-N 122.059 -0.4 . . . . 51.600000000000001 110.602 -179.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.57 -44.58 97.78 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 119.816 -1.183 . . . . 58.25 112.354 175.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 35' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.79 -51.1 76.71 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 O-C-N 122.324 -0.516 . . . . 60.539999999999999 110.428 179.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 36' ' ' LEU . . . . . . . . . . . . . 17.0 tp -66.14 -32.74 74.37 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 119.711 -0.796 . . . . 51.93 111.675 -178.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 37' ' ' HIS . . . . . . . . . . . . . 13.3 t-160 -64.16 -45.2 89.46 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.704 0.288 . . . . 57.159999999999997 110.543 177.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 38' ' ' LEU . . . . . . . . . . . . . 60.1 tp -64.96 -40.13 94.53 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 118.895 -1.122 . . . . 58.920000000000002 111.261 177.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 39' ' ' ILE . . . . . . . . . . . . . 41.7 mt -62.65 -50.21 80.67 Favored 'Isoleucine or valine' 0 C--O 1.24 0.588 0 C-N-CA 119.828 -0.749 . . . . 58.109999999999999 110.653 -179.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 40' ' ' LEU . . . . . . . . . . . . . 19.1 mt -67.27 -34.35 77.23 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 120.284 -0.566 . . . . 57.460000000000001 111.708 -178.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 41' ' ' TRP . . . . . . . . . . . . . 31.7 t90 -68.64 -33.88 74.76 Favored 'General case' 0 CA--C 1.519 -0.242 0 C-N-CA 119.525 -0.87 . . . . 61.799999999999997 111.384 176.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 42' ' ' ILE . . . . . . . . . . . . . 4.5 mm -66.69 -41.5 88.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 C-N-CA 120.499 -0.481 . . . . 66.140000000000001 110.345 176.056 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 63.5 mt -66.76 -39.11 87.76 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 119.599 -0.841 . . . . 69.180000000000007 111.375 177.637 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 44' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -64.14 -44.0 93.5 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 122.179 -0.325 . . . . 64.099999999999994 111.269 177.102 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -67.19 -32.0 72.78 Favored 'General case' 0 CA--C 1.521 -0.159 0 O-C-N 122.161 -0.337 . . . . 55.909999999999997 111.554 177.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 46' ' ' LEU . . . . . . . . . . . . . 65.9 tp -65.81 -45.71 81.34 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.342 -0.543 . . . . 61.270000000000003 110.768 174.405 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 47' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.62 -48.13 80.27 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 120.71 -0.396 . . . . 58.979999999999997 111.055 176.646 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 48' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -75.68 -25.78 57.03 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 119.351 -0.94 . . . . 57.890000000000001 112.44 -175.864 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 49' ' ' LYS . . . . . . . . . . . . . . . -72.56 -35.4 67.98 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 118.696 0.68 . . . . 77.560000000000002 110.805 173.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 50' ' ' SER . . . . . . . . . . . . . 98.0 p -72.35 -26.35 61.89 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.097 -0.641 . . . . 88.909999999999997 111.549 174.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . . . -88.67 -20.39 7.28 Favored 'Isoleucine or valine' 0 C--O 1.239 0.512 0 N-CA-C 113.545 0.943 . . . . 75.079999999999998 113.545 -179.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 52' ' ' TYR . . . . . . . . . . . . . . . -110.92 1.25 17.45 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 118.594 0.634 . . . . 72.859999999999999 112.618 176.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 53' ' ' ARG . . . . . . . . . . . . . . . -104.14 -7.56 20.08 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 112.369 0.507 . . . . 82.920000000000002 112.369 170.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 54' ' ' PHE . . . . . . . . . . . . . . . -101.23 -8.73 21.91 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 112.722 0.638 . . . . 87.849999999999994 112.722 173.773 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 55' ' ' PHE . . . . . . . . . . . . . . . -113.39 27.28 9.71 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 123.142 0.577 . . . . 88.840000000000003 111.676 176.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 56' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.725 0.297 . . . . 89.920000000000002 110.804 -179.784 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 23' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.729 0.3 . . . . 82.319999999999993 111.14 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 24' ' ' ASP . . . . . 0.472 ' N ' ' OD1' ' F' ' 24' ' ' ASP . 6.8 p-10 -65.35 162.42 41.3 Favored Pre-proline 0 N--CA 1.452 -0.374 0 CA-C-N 116.134 -0.484 . . . . 85.590000000000003 110.326 178.593 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' F' F ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -55.5 -34.34 89.24 Favored 'Trans proline' 0 C--O 1.237 0.438 0 N-CA-C 113.519 0.546 . . . . 76.140000000000001 113.519 179.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 26' ' ' LEU . . . . . . . . . . . . . 22.7 tp -60.6 -44.48 96.23 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.186 -0.606 . . . . 74.120000000000005 111.123 175.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.53 -39.2 85.06 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.393 -0.523 . . . . 71.079999999999998 111.472 -179.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 28' ' ' VAL . . . . . . . . . . . . . 69.8 t -63.68 -46.39 94.82 Favored 'Isoleucine or valine' 0 C--O 1.241 0.624 0 CA-C-O 121.282 0.563 . . . . 75.299999999999997 110.384 178.831 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.31 -42.07 98.05 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 120.72 -0.392 . . . . 69.739999999999995 111.076 177.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.56 -37.68 88.26 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 120.411 -0.516 . . . . 58.899999999999999 111.418 179.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 31' ' ' SER . . . . . . . . . . . . . 60.9 m -68.47 -46.77 68.86 Favored 'General case' 0 C--O 1.24 0.602 0 C-N-CA 120.5 -0.48 . . . . 60.170000000000002 111.041 -179.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 79.7 mt -59.68 -40.62 82.79 Favored 'Isoleucine or valine' 0 C--O 1.239 0.512 0 C-N-CA 120.187 -0.605 . . . . 58.909999999999997 110.245 176.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 mp -67.15 -36.73 77.68 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 O-C-N 122.092 -0.38 . . . . 53.909999999999997 110.668 -179.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.16 -40.57 92.61 Favored Glycine 0 C--N 1.333 0.388 0 C-N-CA 119.978 -1.106 . . . . 48.189999999999998 112.4 177.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 35' ' ' ILE . . . . . . . . . . . . . 83.7 mt -62.63 -47.42 93.03 Favored 'Isoleucine or valine' 0 C--O 1.241 0.632 0 CA-C-O 121.291 0.567 . . . . 54.810000000000002 110.303 176.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 36' ' ' LEU . . . . . . . . . . . . . 32.9 tp -63.47 -34.05 76.92 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 120.26 -0.576 . . . . 52.390000000000001 111.373 178.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 37' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -66.63 -43.29 85.08 Favored 'General case' 0 C--O 1.236 0.374 0 O-C-N 122.312 -0.243 . . . . 58.549999999999997 111.018 178.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 38' ' ' LEU . . . . . . . . . . . . . 5.6 tp -62.36 -43.09 99.64 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 119.248 -0.981 . . . . 53.689999999999998 110.976 176.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 39' ' ' ILE . . . . . . . . . . . . . 44.1 mm -61.59 -47.6 92.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.563 0 C-N-CA 120.223 -0.591 . . . . 53.619999999999997 110.574 -179.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 40' ' ' LEU . . . . . . . . . . . . . 12.1 mt -63.36 -46.53 86.12 Favored 'General case' 0 C--O 1.236 0.368 0 O-C-N 121.997 -0.439 . . . . 54.369999999999997 111.291 -178.506 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 41' ' ' TRP . . . . . . . . . . . . . 89.6 t90 -67.29 -31.61 72.04 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.09 -0.644 . . . . 55.740000000000002 111.103 -178.155 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 42' ' ' ILE . . . . . . . . . . . . . 3.9 mm -68.85 -43.72 82.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 C-N-CA 120.632 -0.427 . . . . 56.590000000000003 110.393 176.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 43' ' ' LEU . . . . . . . . . . . . . 8.5 mp -59.26 -42.97 92.44 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 119.85 -0.74 . . . . 55.409999999999997 110.878 174.402 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 44' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -61.19 -45.64 93.75 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 120.812 0.339 . . . . 59.57 111.299 179.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 45' ' ' ARG . . . . . . . . . . . . . 4.8 mmm180 -72.36 -35.77 68.6 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 120.179 -0.608 . . . . 66.099999999999994 111.43 -176.118 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 46' ' ' LEU . . . . . . . . . . . . . 4.0 pp -68.03 -39.01 83.2 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 119.124 -1.03 . . . . 74.75 110.721 176.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 47' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -59.34 -47.95 83.48 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 120.718 -0.393 . . . . 68.489999999999995 110.961 173.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 48' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -65.52 -41.34 93.25 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.602 -0.439 . . . . 72.180000000000007 111.748 -177.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 49' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -75.13 -28.19 60.07 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 119.809 -0.756 . . . . 82.640000000000001 111.709 -178.171 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 50' ' ' SER . . . . . . . . . . . . . 97.3 p -73.31 -32.15 64.44 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 119.981 -0.688 . . . . 101.33 111.289 173.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . . . -70.98 -45.47 72.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 C-N-CA 120.061 -0.655 . . . . 82.980000000000004 110.458 175.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 52' ' ' TYR . . . . . . . . . . . . . . . -74.32 -11.94 60.4 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 112.929 0.714 . . . . 72.200000000000003 112.929 179.007 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 53' ' ' ARG . . . . . . . . . . . . . . . -96.82 -2.81 43.33 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 118.354 0.525 . . . . 82.640000000000001 112.318 174.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 54' ' ' PHE . . . . . . . . . . . . . . . -112.41 -15.32 13.14 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 113.452 0.908 . . . . 87.370000000000005 113.452 176.105 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 55' ' ' PHE . . . . . . . . . . . . . . . -119.98 20.2 12.19 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 118.364 0.529 . . . . 71.709999999999994 111.828 176.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 56' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.888 0.375 . . . . 60.75 110.844 179.525 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 23' ' ' SER . . . . . . . . . . . . . 91.6 p . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.755 0.312 . . . . 63.880000000000003 111.021 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 24' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' G' ' 24' ' ' ASP . 3.5 p-10 -71.1 149.39 94.56 Favored Pre-proline 0 C--O 1.236 0.383 0 CA-C-N 116.2 -0.454 . . . . 80.870000000000005 110.548 -179.968 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' G' G ' 25' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -61.88 -30.7 84.38 Favored 'Trans proline' 0 CA--C 1.515 -0.451 0 N-CA-C 113.161 0.408 . . . . 76.450000000000003 113.161 179.127 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 tt -59.42 -49.24 78.57 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 118.155 0.434 . . . . 66.090000000000003 110.602 174.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.13 -34.19 75.89 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 120.624 -0.431 . . . . 64.340000000000003 111.831 179.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 28' ' ' VAL . . . . . . . . . . . . . 43.3 t -64.7 -45.77 94.27 Favored 'Isoleucine or valine' 0 C--O 1.241 0.619 0 CA-C-O 121.296 0.57 . . . . 62.719999999999999 110.433 177.648 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.7 -40.02 95.82 Favored 'General case' 0 C--O 1.233 0.236 0 O-C-N 122.055 -0.403 . . . . 57.909999999999997 111.103 176.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.31 -36.0 82.7 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 120.201 -0.6 . . . . 56.369999999999997 111.284 177.84 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 31' ' ' SER . . . . . . . . . . . . . 49.3 m -65.44 -49.66 68.33 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.006 0.431 . . . . 60.100000000000001 110.963 177.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 69.3 mt -61.25 -36.25 71.51 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 C-N-CA 120.174 -0.61 . . . . 56.460000000000001 110.45 178.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 33' ' ' ILE . . . . . . . . . . . . . 4.0 mt -68.15 -39.11 80.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 O-C-N 121.889 -0.507 . . . . 49.590000000000003 110.864 179.144 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.66 -39.97 97.13 Favored Glycine 0 C--N 1.333 0.397 0 C-N-CA 119.813 -1.184 . . . . 50.420000000000002 112.423 176.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 35' ' ' ILE . . . . . . . . . . . . . 78.2 mt -64.36 -48.45 85.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 C-N-CA 120.354 -0.539 . . . . 53.240000000000002 110.363 177.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tp -61.39 -33.35 73.52 Favored 'General case' 0 C--O 1.232 0.176 0 O-C-N 121.892 -0.505 . . . . 51.619999999999997 111.51 177.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 37' ' ' HIS . . . . . . . . . . . . . 19.5 t-160 -65.05 -48.05 75.2 Favored 'General case' 0 C--O 1.236 0.367 0 O-C-N 122.259 -0.276 . . . . 58.520000000000003 110.752 178.277 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 38' ' ' LEU . . . . . . . . . . . . . 3.5 tp -59.52 -42.47 92.32 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 119.891 -0.724 . . . . 49.590000000000003 111.224 176.028 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.53 -49.95 80.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 CA-C-O 121.29 0.567 . . . . 49.289999999999999 110.591 -177.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 40' ' ' LEU . . . . . . . . . . . . . 24.6 mt -64.52 -36.33 83.85 Favored 'General case' 0 C--O 1.234 0.26 0 O-C-N 121.946 -0.471 . . . . 52.07 111.163 -178.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 41' ' ' TRP . . . . . . . . . . . . . 77.7 t90 -70.78 -37.89 73.38 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 119.289 -0.964 . . . . 58.0 111.279 -179.024 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 42' ' ' ILE . . . . . . . . . . . . . 41.3 pt -72.01 -35.38 53.74 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 C-N-CA 118.112 -1.435 . . . . 58.170000000000002 110.42 178.749 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -62.47 -48.75 78.24 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 119.628 -0.829 . . . . 56.810000000000002 110.944 173.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 44' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -54.26 -54.6 37.87 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.867 0.365 . . . . 62.590000000000003 111.605 177.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 45' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.61 -25.58 61.36 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 119.691 -0.804 . . . . 70.379999999999995 111.832 -173.896 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' G' G ' 46' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -67.88 -48.44 66.07 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 119.922 -0.711 . . . . 76.450000000000003 110.56 172.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 47' ' ' PHE . . . . . . . . . . . . . 16.2 m-30 -60.8 -39.92 90.73 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 119.88 -0.728 . . . . 78.060000000000002 111.197 177.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 48' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -74.16 -39.25 63.37 Favored 'General case' 0 C--O 1.233 0.207 0 O-C-N 122.046 -0.409 . . . . 81.879999999999995 111.989 -176.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 49' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -71.17 -22.13 62.07 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 121.704 -0.622 . . . . 89.5 112.031 174.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 50' ' ' SER . . . . . . . . . . . . . 97.3 p -79.77 -35.35 38.78 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.261 -0.576 . . . . 98.569999999999993 111.325 175.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 51' ' ' ILE . . . . . . . . . . . . . 32.7 pt -79.13 -24.69 12.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 119.509 -0.877 . . . . 92.709999999999994 111.065 176.164 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 52' ' ' TYR . . . . . . . . . . . . . . . -91.08 -4.08 56.6 Favored 'General case' 0 C--O 1.235 0.326 0 O-C-N 121.62 -0.675 . . . . 90.129999999999995 112.444 173.605 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 53' ' ' ARG . . . . . . . . . . . . . . . -102.75 -14.17 16.75 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 112.265 0.469 . . . . 112.14 112.265 167.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 54' ' ' PHE . . . . . . . . . . . . . . . -89.53 -17.55 28.38 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 112.727 0.639 . . . . 115.48 112.727 172.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 55' ' ' PHE . . . . . . . . . . . . . . . -99.08 24.02 8.35 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 123.079 0.551 . . . . 90.969999999999999 112.102 174.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 56' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 82.870000000000005 110.781 179.971 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 23' ' ' SER . . . . . . . . . . . . . 41.8 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.651 0.262 . . . . 61.640000000000001 110.964 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 24' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -58.79 117.09 18.18 Favored Pre-proline 0 C--O 1.24 0.585 0 CA-C-N 115.953 -0.567 . . . . 65.549999999999997 110.025 176.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 25' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -57.5 -33.72 96.88 Favored 'Trans proline' 0 CA--C 1.515 -0.444 0 CA-C-N 119.089 0.71 . . . . 71.370000000000005 113.225 -179.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 26' ' ' LEU . . . . . . . . . . . . . 1.5 mt -56.68 -57.32 12.93 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.036 0.446 . . . . 60.659999999999997 110.809 176.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.74 -34.9 79.43 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.762 -0.375 . . . . 62.170000000000002 111.792 -178.871 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 28' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.75 -51.43 67.28 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 CA-C-O 121.098 0.475 . . . . 58.689999999999998 110.445 -179.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.96 -39.33 93.9 Favored 'General case' 0 C--O 1.236 0.368 0 O-C-N 121.936 -0.477 . . . . 58.0 111.348 179.472 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.53 -39.15 93.68 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 120.117 -0.633 . . . . 53.259999999999998 111.25 178.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 31' ' ' SER . . . . . . . . . . . . . 24.1 m -67.62 -43.81 79.52 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 120.766 -0.374 . . . . 56.960000000000001 111.258 179.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 52.2 mt -62.86 -42.99 98.52 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 C-N-CA 120.209 -0.596 . . . . 51.149999999999999 110.437 179.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 33' ' ' ILE . . . . . . . . . . . . . 3.1 mt -65.94 -36.21 76.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 O-C-N 121.914 -0.491 . . . . 47.039999999999999 110.914 178.078 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.75 -43.15 98.19 Favored Glycine 0 C--N 1.332 0.341 0 C-N-CA 119.862 -1.161 . . . . 55.950000000000003 112.673 176.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 35' ' ' ILE . . . . . . . . . . . . . 61.1 mt -64.88 -45.93 93.35 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 O-C-N 122.215 -0.58 . . . . 53.090000000000003 110.568 178.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -62.98 -36.56 83.91 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.074 -0.651 . . . . 45.700000000000003 111.113 178.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 37' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -66.52 -43.69 84.54 Favored 'General case' 0 CA--C 1.518 -0.276 0 O-C-N 122.19 -0.319 . . . . 57.719999999999999 110.917 179.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 38' ' ' LEU . . . . . . . . . . . . . 63.3 tp -62.72 -40.97 98.85 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 119.463 -0.895 . . . . 53.100000000000001 111.096 176.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 39' ' ' ILE . . . . . . . . . . . . . 27.2 mm -63.69 -49.45 82.16 Favored 'Isoleucine or valine' 0 C--O 1.242 0.699 0 CA-C-O 121.24 0.543 . . . . 52.609999999999999 110.651 -179.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 40' ' ' LEU . . . . . . . . . . . . . 9.4 mt -65.03 -37.38 87.41 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 120.286 -0.565 . . . . 51.43 111.397 -179.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 41' ' ' TRP . . . . . . . . . . . . . 67.1 t90 -66.66 -37.97 85.88 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 120.284 -0.567 . . . . 56.090000000000003 111.142 177.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 42' ' ' ILE . . . . . . . . . . . . . 3.4 mm -65.77 -43.74 93.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 C-N-CA 120.579 -0.448 . . . . 64.200000000000003 110.586 178.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 43' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.14 -34.06 68.24 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 118.31 -1.356 . . . . 56.409999999999997 111.688 179.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -61.63 -44.47 96.93 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.922 -0.311 . . . . 58.549999999999997 110.689 174.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 45' ' ' ARG . . . . . . . . . . . . . 11.0 mmp_? -71.21 -29.89 65.7 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 120.276 -0.57 . . . . 69.049999999999997 111.727 179.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 46' ' ' LEU . . . . . . . . . . . . . 3.0 mp -64.53 -45.12 88.55 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 119.858 -0.737 . . . . 65.909999999999997 110.868 172.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 47' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -62.41 -42.85 99.75 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.52 -0.472 . . . . 69.599999999999994 111.287 176.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 48' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -69.83 -33.01 71.73 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 119.948 -0.701 . . . . 74.579999999999998 111.762 -179.181 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 49' ' ' LYS . . . . . . . . . . . . . 24.3 tttp -67.2 -43.37 82.27 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 118.056 0.389 . . . . 89.219999999999999 111.101 174.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 50' ' ' SER . . . . . . . . . . . . . 98.1 p -70.15 -24.35 63.15 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.05 -0.66 . . . . 100.37 111.687 178.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 51' ' ' ILE . . . . . . . . . . . . . . . -88.5 -29.81 5.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 N-CA-C 112.472 0.545 . . . . 101.73 112.472 -179.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 52' ' ' TYR . . . . . . . . . . . . . . . -103.42 11.36 36.59 Favored 'General case' 0 C--O 1.235 0.312 0 O-C-N 121.851 -0.531 . . . . 88.219999999999999 112.244 177.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 53' ' ' ARG . . . . . . . . . . . . . . . -92.61 -11.76 33.45 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 112.421 0.526 . . . . 110.76000000000001 112.421 170.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 54' ' ' PHE . . . . . . . . . . . . . . . -87.73 -24.75 23.74 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 112.48 0.548 . . . . 110.65000000000001 112.48 177.044 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 55' ' ' PHE . . . . . . . . . . . . . . . -78.74 -34.39 45.82 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 112.295 0.48 . . . . 119.26000000000001 112.295 179.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 56' ' ' GLU . . . . . . . . . . . . . . . -84.3 -58.77 2.61 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.689 -0.405 . . . . 105.14 111.438 -177.6 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 57' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 O-C-N 122.08 -0.387 . . . . 92.670000000000002 111.223 -178.755 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 101' ' ' E01 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 101' ' ' E01 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 22' ' ' SER . . . . . 0.694 ' HB3' ' HB3' ' D' ' 24' ' ' ASP . 69.7 m . . . . . 0 CA--C 1.521 -0.145 0 CA-C-O 120.467 0.175 . . . . 66.9 111.057 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.5 t -153.41 97.88 2.19 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 108.712 -0.848 . . . . 57.58 108.712 -178.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -108.8 124.72 33.47 Favored Pre-proline 0 C--O 1.24 0.575 0 N-CA-C 106.837 -1.542 . . . . 49.06 106.837 161.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -56.5 -41.48 75.64 Favored 'Trans proline' 0 C--O 1.238 0.512 0 CA-C-N 120.052 1.054 . . . . 61.55 112.789 179.039 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.8 tp -62.65 -40.8 98.19 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 120.877 -0.329 . . . . 37.51 111.313 177.049 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.91 -41.7 82.24 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.346 -0.542 . . . . 37.88 111.458 -178.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.0 t -64.87 -41.86 93.3 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 C-N-CA 120.68 -0.408 . . . . 38.47 110.559 177.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.3 -47.92 83.96 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 121.954 -0.466 . . . . 31.77 110.945 177.038 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.9 -31.31 72.17 Favored 'General case' 0 CA--C 1.521 -0.165 0 C-N-CA 120.43 -0.508 . . . . 27.53 111.814 -179.601 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.2 m -69.09 -49.1 60.26 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 120.566 -0.454 . . . . 30.57 111.107 178.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.2 mt -59.83 -38.5 76.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.474 0 C-N-CA 120.303 -0.559 . . . . 26.53 110.243 176.162 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ILE . . . . . 0.408 HD13 ' HA ' ' A' ' 33' ' ' ILE . 4.4 mm -66.71 -38.77 82.23 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 O-C-N 121.997 -0.44 . . . . 20.8 110.694 179.939 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.37 -39.05 94.09 Favored Glycine 0 C--N 1.334 0.423 0 C-N-CA 120.083 -1.056 . . . . 24.36 112.558 177.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.7 mt -64.63 -49.19 81.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 C-N-CA 120.199 -0.6 . . . . 24.11 110.406 177.107 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.0 tp -61.32 -32.91 72.79 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.204 -0.599 . . . . 23.56 111.447 177.606 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -68.96 -43.86 74.12 Favored 'General case' 0 C--O 1.235 0.302 0 O-C-N 122.209 -0.307 . . . . 24.61 110.902 179.658 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.4 tp -58.58 -44.4 89.78 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 119.958 -0.697 . . . . 24.84 110.841 174.002 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.4 mt -62.92 -47.35 93.22 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 CA-C-O 121.244 0.545 . . . . 23.93 110.7 -178.513 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.6 mt -68.42 -39.87 81.42 Favored 'General case' 0 C--O 1.234 0.238 0 O-C-N 121.856 -0.527 . . . . 33.52 111.518 -176.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -68.37 -32.77 73.08 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 119.029 -1.068 . . . . 32.12 111.104 177.211 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ILE . . . . . 0.469 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 4.6 mt -64.31 -45.27 96.58 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 C-N-CA 120.536 -0.465 . . . . 33.57 110.223 175.937 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.1 mt -67.11 -40.69 86.92 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 119.722 -0.791 . . . . 31.23 111.47 179.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -59.37 -54.17 49.75 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.649 0.261 . . . . 48.16 111.101 177.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -69.04 -26.27 64.89 Favored 'General case' 0 CA--C 1.521 -0.154 0 C-N-CA 119.797 -0.761 . . . . 39.64 111.797 -179.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LEU . . . . . 0.469 ' HB2' ' O ' ' A' ' 42' ' ' ILE . 2.5 tt -67.5 -51.94 45.11 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.269 -0.572 . . . . 40.42 110.62 177.745 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -71.3 -23.19 61.91 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 118.567 -1.253 . . . . 44.31 111.792 178.292 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -71.03 -46.2 62.53 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 120.296 -0.561 . . . . 50.06 111.046 175.666 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.5 mttm -64.14 -34.99 79.33 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 108.055 -1.091 . . . . 57.78 108.055 178.479 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.7 t -63.58 -50.94 67.5 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 124.832 1.333 . . . . 60.81 108.769 178.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . . . -57.99 -39.55 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 N-CA-C 107.474 -1.306 . . . . 65.17 107.474 178.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . . . -84.06 6.17 23.19 Favored 'General case' 0 C--O 1.236 0.352 0 O-C-N 124.859 1.349 . . . . 58.17 112.361 178.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . . . -98.18 -28.94 13.49 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 112.555 0.576 . . . . 76.55 112.555 170.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . . . -82.5 -10.57 58.95 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 112.708 0.633 . . . . 76.15 112.708 173.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -108.27 16.54 23.11 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 123.07 0.548 . . . . 54.88 112.168 176.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.236 0 CA-C-O 120.809 0.338 . . . . 55.0 110.662 178.418 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t70 . . . . . 0 C--O 1.233 0.203 0 N-CA-C 110.387 -0.227 . . . . 33.94 110.387 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -54.93 -37.83 93.09 Favored 'Trans proline' 0 C--O 1.237 0.465 0 O-C-N 122.963 0.981 . . . . 27.14 113.333 173.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 27.6 tp -64.94 -43.54 92.4 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.652 -0.419 . . . . 26.99 111.225 177.648 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.45 -40.42 97.1 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.422 -0.511 . . . . 23.65 111.232 178.09 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 70.7 t -65.19 -44.89 95.22 Favored 'Isoleucine or valine' 0 C--O 1.241 0.621 0 CA-C-O 121.026 0.441 . . . . 25.44 110.598 179.106 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.06 -46.84 88.22 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 122.003 -0.435 . . . . 22.09 111.022 178.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.25 -37.11 86.31 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 120.488 -0.485 . . . . 24.55 111.439 -179.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 16.3 m -65.24 -47.55 76.37 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 121.043 0.449 . . . . 28.04 110.977 179.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 49.4 mm -67.07 -37.82 80.03 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 C-N-CA 120.095 -0.642 . . . . 24.54 110.568 -178.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ILE . . . . . 0.443 HD12 HG12 ' C' ' 35' ' ' ILE . 7.5 mt -62.76 -40.2 87.74 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.204 0 O-C-N 121.912 -0.493 . . . . 21.07 110.84 175.133 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.19 -40.11 96.55 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 119.862 -1.161 . . . . 25.1 112.534 178.235 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 89.6 mt -65.83 -49.15 79.14 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 122.198 -0.589 . . . . 21.39 110.534 178.943 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 26.8 tp -61.35 -34.12 74.76 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 120.141 -0.624 . . . . 22.39 111.526 177.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.4 -47.45 79.17 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 120.66 0.267 . . . . 21.94 110.68 178.4 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 35.3 tp -62.05 -42.23 98.96 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 119.587 -0.845 . . . . 30.79 111.254 177.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 66.3 mt -64.15 -47.54 89.61 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 C-N-CA 120.238 -0.585 . . . . 28.8 110.736 -178.276 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 79.9 mt -67.95 -35.06 77.77 Favored 'General case' 0 C--O 1.234 0.272 0 O-C-N 121.808 -0.557 . . . . 25.96 111.276 -178.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 80.1 t90 -67.79 -34.27 76.44 Favored 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 120.236 -0.586 . . . . 39.13 111.41 175.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 3.5 mt -68.72 -42.78 83.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 C-N-CA 120.407 -0.517 . . . . 35.0 110.6 176.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 78.9 mt -62.32 -41.37 98.49 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 119.781 -0.768 . . . . 30.44 110.894 175.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' ASP . . . . . 0.553 ' OD2' ' NH2' ' B' ' 45' ' ' ARG . 29.7 t70 -62.55 -40.04 95.55 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 120.623 0.249 . . . . 33.12 111.218 176.961 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 45' ' ' ARG . . . . . 0.553 ' NH2' ' OD2' ' B' ' 44' ' ' ASP . 2.9 mmp_? -69.39 -38.71 78.11 Favored 'General case' 0 CA--C 1.519 -0.247 0 C-N-CA 120.873 -0.331 . . . . 36.4 111.18 -179.172 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.96 -44.67 92.07 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 120.007 -0.677 . . . . 36.85 110.666 175.269 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -53.44 -57.51 10.39 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.148 0.499 . . . . 38.35 110.845 175.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -74.29 -25.2 59.45 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 112.738 0.644 . . . . 46.28 112.738 -173.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . . . -74.8 -37.47 62.36 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 118.927 0.785 . . . . 48.5 111.349 176.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 99.5 p -76.5 -16.95 59.52 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 120.043 -0.663 . . . . 63.04 112.225 173.536 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . . . -87.21 -31.25 5.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 N-CA-C 112.151 0.426 . . . . 50.15 112.151 175.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . . . -106.13 14.03 28.24 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 121.946 -0.471 . . . . 48.68 112.225 177.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . . . -91.83 -8.27 47.06 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 112.49 0.552 . . . . 67.93 112.49 172.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . . . -79.59 -25.35 41.55 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 118.121 0.419 . . . . 65.17 111.94 176.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . . . -70.12 -29.54 66.51 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.507 -0.477 . . . . 66.12 111.833 179.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.747 0.308 . . . . 60.58 111.027 179.697 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 N--CA 1.458 -0.055 0 CA-C-O 120.722 0.296 . . . . 30.07 111.422 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -70.47 135.01 86.43 Favored Pre-proline 0 C--O 1.238 0.457 0 N-CA-C 109.185 -0.672 . . . . 32.92 109.185 173.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -55.34 -41.36 78.97 Favored 'Trans proline' 0 C--O 1.238 0.522 0 CA-C-N 118.316 0.434 . . . . 31.14 113.015 177.173 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 mt -64.37 -41.23 96.83 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 120.145 -0.622 . . . . 31.94 111.188 178.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.38 -45.46 91.02 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.438 -0.505 . . . . 30.8 111.239 179.59 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 76.9 t -67.13 -44.84 87.69 Favored 'Isoleucine or valine' 0 C--O 1.241 0.629 0 C-N-CA 120.381 -0.528 . . . . 23.53 110.763 -178.029 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.49 -40.76 97.75 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 121.845 -0.535 . . . . 23.09 111.153 178.405 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.27 -38.79 92.28 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.693 -0.403 . . . . 23.54 111.25 178.014 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 95.6 p -62.49 -52.07 64.95 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-O 121.057 0.456 . . . . 28.13 111.168 177.792 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 70.6 mt -61.16 -37.95 78.6 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 CA-C-O 121.063 0.459 . . . . 22.88 110.486 -179.342 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 33' ' ' ILE . . . . . 0.562 HD12 HG12 ' D' ' 35' ' ' ILE . 6.6 mt -70.68 -35.54 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 O-C-N 122.003 -0.436 . . . . 23.35 110.647 -177.982 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.63 -42.3 97.38 Favored Glycine 0 C--N 1.333 0.377 0 C-N-CA 119.776 -1.202 . . . . 25.82 112.356 174.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 35' ' ' ILE . . . . . 0.443 HG12 HD12 ' B' ' 33' ' ' ILE . 64.4 mt -60.05 -53.75 44.29 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 C-N-CA 120.38 -0.528 . . . . 32.76 110.43 176.674 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 16.0 tp -60.03 -34.15 72.99 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 122.08 -0.387 . . . . 24.97 111.676 179.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -67.57 -45.21 76.25 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 122.286 -0.259 . . . . 25.45 110.757 -178.768 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 38' ' ' LEU . . . . . 0.489 ' O ' HG23 ' C' ' 42' ' ' ILE . 31.7 tp -65.7 -37.49 86.61 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 118.465 -1.294 . . . . 29.59 111.271 177.197 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 19.5 mt -63.1 -51.38 72.38 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 C-N-CA 119.805 -0.758 . . . . 26.65 110.669 179.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 23.0 mt -63.58 -31.02 72.07 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 120.196 -0.601 . . . . 23.55 111.507 179.015 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 72.3 t90 -68.66 -43.56 75.96 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 119.719 -0.792 . . . . 33.8 111.208 178.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 42' ' ' ILE . . . . . 0.489 HG23 ' O ' ' C' ' 38' ' ' LEU . 2.6 pt -67.93 -31.1 50.59 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.165 0 C-N-CA 118.497 -1.281 . . . . 34.42 110.4 178.674 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 43' ' ' LEU . . . . . 0.414 ' N ' HG13 ' C' ' 42' ' ' ILE . 76.1 mt -70.1 -46.65 64.41 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 119.401 -0.92 . . . . 31.31 111.289 177.472 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -58.37 -49.52 76.93 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 120.814 0.34 . . . . 37.0 110.975 176.85 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 45' ' ' ARG . . . . . 0.441 ' HD3' ' HA ' ' C' ' 45' ' ' ARG . 4.5 mmt180 -72.5 -22.94 60.97 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 120.151 -0.62 . . . . 37.64 112.549 -178.815 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 9.3 tt -67.34 -47.14 71.35 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 119.057 0.844 . . . . 45.85 110.365 170.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . . . -55.5 -47.4 76.28 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.457 -0.497 . . . . 45.09 110.92 174.416 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 12.2 m-30 -73.3 -34.14 65.57 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 119.833 -0.747 . . . . 44.52 112.232 -174.139 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -73.7 -33.01 64.21 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 118.387 0.539 . . . . 54.88 111.362 177.891 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 97.3 p -69.13 -34.32 74.84 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 119.878 -0.729 . . . . 63.8 111.263 172.413 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . . . -68.72 -45.34 81.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 C-N-CA 120.272 -0.571 . . . . 60.2 110.666 177.495 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 52' ' ' TYR . . . . . . . . . . . . . . . -75.98 -11.68 60.0 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 112.892 0.701 . . . . 60.58 112.892 178.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . . . -86.08 14.56 6.1 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 118.36 0.527 . . . . 69.3 112.408 176.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 54' ' ' PHE . . . . . . . . . . . . . . . -121.27 -26.67 5.01 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 113.669 0.989 . . . . 80.67 113.669 177.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 55' ' ' PHE . . . . . . . . . . . . . . . -103.4 26.85 7.89 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 118.509 0.595 . . . . 68.54 112.325 179.416 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.807 0.336 . . . . 79.14 111.118 179.788 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 47.2 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.836 0.351 . . . . 51.26 111.036 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 24' ' ' ASP . . . . . 0.694 ' HB3' ' HB3' ' A' ' 22' ' ' SER . 25.7 p-10 -98.82 166.04 13.87 Favored Pre-proline 0 C--N 1.323 -0.575 0 C-N-CA 123.659 0.784 . . . . 49.52 110.294 179.036 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 25' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' D' ' 24' ' ' ASP . 9.2 Cg_endo -53.01 -34.77 68.92 Favored 'Trans proline' 0 CA--C 1.515 -0.469 0 N-CA-C 113.941 0.708 . . . . 39.47 113.941 179.673 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 22.8 tp -59.09 -49.03 79.44 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.364 -0.534 . . . . 31.55 110.849 176.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.91 -39.18 87.31 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.487 -0.485 . . . . 33.55 111.556 -178.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 30.4 t -65.79 -47.49 85.58 Favored 'Isoleucine or valine' 0 C--O 1.241 0.646 0 C-N-CA 120.157 -0.617 . . . . 40.42 110.59 -179.219 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.01 -40.13 92.39 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 120.663 -0.415 . . . . 28.01 111.131 177.065 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.21 -36.23 83.53 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 120.318 -0.553 . . . . 27.09 111.369 179.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 49.4 m -67.03 -48.44 68.33 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 120.532 -0.467 . . . . 30.35 110.919 177.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 25.2 mt -57.11 -41.29 77.42 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 C-N-CA 120.374 -0.53 . . . . 25.21 110.347 176.826 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 13.3 mt -70.48 -36.65 67.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 O-C-N 122.085 -0.384 . . . . 23.01 110.781 -176.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.72 -39.36 90.25 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.024 -1.084 . . . . 24.15 112.573 177.123 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 35' ' ' ILE . . . . . 0.562 HG12 HD12 ' C' ' 33' ' ' ILE . 69.7 mt -63.24 -45.1 99.23 Favored 'Isoleucine or valine' 0 C--O 1.243 0.736 0 C-N-CA 119.845 -0.742 . . . . 22.94 110.448 175.232 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 29.0 tp -58.31 -40.6 82.48 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 122.015 -0.428 . . . . 28.62 111.244 175.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -65.33 -43.74 90.01 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 121.048 -0.261 . . . . 24.09 111.084 -178.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 38' ' ' LEU . . . . . 0.403 HD22 HG23 ' C' ' 33' ' ' ILE . 11.1 tp -59.91 -46.75 88.36 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 119.63 -0.828 . . . . 29.13 110.943 176.355 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 60.9 mt -62.1 -43.25 97.52 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 C-N-CA 120.085 -0.646 . . . . 28.62 110.832 -178.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 40' ' ' LEU . . . . . 0.435 ' O ' ' HG ' ' D' ' 43' ' ' LEU . 29.7 mt -65.45 -45.55 83.35 Favored 'General case' 0 C--O 1.237 0.416 0 O-C-N 121.853 -0.529 . . . . 34.34 111.237 -178.319 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -67.71 -29.69 69.0 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 118.94 -1.104 . . . . 32.32 111.099 179.408 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 4.8 mm -62.96 -46.75 95.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-O 120.8 0.333 . . . . 32.01 110.199 174.08 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 43' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' D' ' 40' ' ' LEU . 1.3 pp -65.14 -38.17 89.76 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 118.968 -1.093 . . . . 36.89 110.814 179.522 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -62.88 -50.04 72.47 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 120.925 0.393 . . . . 34.78 111.072 -179.888 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 45' ' ' ARG . . . . . 0.408 ' HD3' ' HA ' ' D' ' 45' ' ' ARG . 0.5 OUTLIER -70.08 -30.97 68.34 Favored 'General case' 0 CA--C 1.521 -0.16 0 C-N-CA 120.072 -0.651 . . . . 38.87 111.926 -179.151 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 12.2 tp -67.01 -43.19 83.49 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 120.132 -0.627 . . . . 42.28 110.948 175.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -61.26 -45.13 95.77 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.966 -0.294 . . . . 49.28 111.165 176.173 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -69.25 -36.83 77.55 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 119.594 -0.842 . . . . 48.62 111.697 -178.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . . . -72.78 -29.27 63.16 Favored 'General case' 0 C--O 1.234 0.255 0 O-C-N 121.832 -0.543 . . . . 58.21 111.698 178.742 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 97.8 p -75.51 -30.48 59.83 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.4 -0.52 . . . . 83.93 111.596 174.703 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . . . -74.95 -33.64 30.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 C-N-CA 119.908 -0.717 . . . . 65.79 110.987 175.024 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 52' ' ' TYR . . . . . . . . . . . . . . . -92.2 3.66 54.88 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 112.852 0.686 . . . . 58.71 112.852 178.245 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . . . -105.8 -0.9 24.93 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 112.33 0.493 . . . . 73.82 112.33 174.324 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 54' ' ' PHE . . . . . . . . . . . . . . . -120.09 -18.66 8.04 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 113.538 0.94 . . . . 91.76 113.538 174.541 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 55' ' ' PHE . . . . . . . . . . . . . . . -114.3 26.87 9.91 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 118.609 0.64 . . . . 79.57 111.788 176.755 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.224 0 CA-C-O 120.99 0.424 . . . . 82.25 110.54 179.314 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 23' ' ' SER . . . . . . . . . . . . . 68.4 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.941 0.401 . . . . 51.35 111.12 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 24' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' E' ' 27' ' ' ALA . 2.5 p30 -128.11 153.36 78.56 Favored Pre-proline 0 C--O 1.237 0.441 0 C-N-CA 123.184 0.594 . . . . 58.43 109.426 178.158 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 25' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -58.57 -32.64 97.04 Favored 'Trans proline' 0 CA--C 1.512 -0.584 0 O-C-N 121.948 0.446 . . . . 60.32 112.978 -179.889 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 26' ' ' LEU . . . . . . . . . . . . . 19.9 tp -62.21 -47.86 82.59 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.42 -0.512 . . . . 70.37 110.998 177.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 27' ' ' ALA . . . . . 0.487 ' N ' ' OD1' ' E' ' 24' ' ' ASP . . . -67.2 -39.6 86.35 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.381 -0.528 . . . . 63.97 111.588 -179.876 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 28' ' ' VAL . . . . . . . . . . . . . 99.4 t -65.0 -45.77 93.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 C-N-CA 120.345 -0.542 . . . . 57.17 110.499 -179.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.32 -35.76 81.91 Favored 'General case' 0 C--O 1.234 0.244 0 O-C-N 121.961 -0.462 . . . . 55.9 111.133 177.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.82 -38.89 92.49 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.126 -0.63 . . . . 56.96 111.196 176.777 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 31' ' ' SER . . . . . . . . . . . . . 75.2 m -64.91 -47.2 78.6 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 120.399 -0.52 . . . . 56.63 111.013 177.457 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 26.1 mt -60.27 -40.12 82.82 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 C-N-CA 120.417 -0.513 . . . . 57.36 110.53 178.44 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 33' ' ' ILE . . . . . 0.59 HG13 HD22 ' F' ' 38' ' ' LEU . 1.4 mp -67.86 -39.48 81.88 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.142 0 O-C-N 122.059 -0.4 . . . . 51.6 110.602 -179.008 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.57 -44.58 97.78 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 119.816 -1.183 . . . . 58.25 112.354 175.222 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 35' ' ' ILE . . . . . 0.617 HG13 HD12 ' H' ' 33' ' ' ILE . 1.7 mp -61.79 -51.1 76.71 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 O-C-N 122.324 -0.516 . . . . 60.54 110.428 179.745 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 36' ' ' LEU . . . . . . . . . . . . . 17.0 tp -66.14 -32.74 74.37 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 119.711 -0.796 . . . . 51.93 111.675 -178.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 37' ' ' HIS . . . . . 0.844 ' HD2' ' O ' ' E' ' 201' ' ' HOH . 0.7 OUTLIER -64.16 -45.2 89.46 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.704 0.288 . . . . 57.16 110.543 177.884 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' E' E ' 38' ' ' LEU . . . . . 0.485 HD22 HG23 ' H' ' 33' ' ' ILE . 60.1 tp -64.96 -40.13 94.53 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 118.895 -1.122 . . . . 58.92 111.261 177.457 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 39' ' ' ILE . . . . . . . . . . . . . 41.7 mt -62.65 -50.21 80.67 Favored 'Isoleucine or valine' 0 C--O 1.24 0.588 0 C-N-CA 119.828 -0.749 . . . . 58.11 110.653 -179.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 40' ' ' LEU . . . . . . . . . . . . . 19.1 mt -67.27 -34.35 77.23 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 120.284 -0.566 . . . . 57.46 111.708 -178.536 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 41' ' ' TRP . . . . . . . . . . . . . 31.7 t90 -68.64 -33.88 74.76 Favored 'General case' 0 CA--C 1.519 -0.242 0 C-N-CA 119.525 -0.87 . . . . 61.8 111.384 176.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 42' ' ' ILE . . . . . 0.452 HD13 ' HA ' ' E' ' 42' ' ' ILE . 4.5 mm -66.69 -41.5 88.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 C-N-CA 120.499 -0.481 . . . . 66.14 110.345 176.056 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 63.5 mt -66.76 -39.11 87.76 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 119.599 -0.841 . . . . 69.18 111.375 177.637 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 44' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -64.14 -44.0 93.5 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 122.179 -0.325 . . . . 64.1 111.269 177.102 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -67.19 -32.0 72.78 Favored 'General case' 0 CA--C 1.521 -0.159 0 O-C-N 122.161 -0.337 . . . . 55.91 111.554 177.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 46' ' ' LEU . . . . . . . . . . . . . 65.9 tp -65.81 -45.71 81.34 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.342 -0.543 . . . . 61.27 110.768 174.405 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 47' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.62 -48.13 80.27 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 120.71 -0.396 . . . . 58.98 111.055 176.646 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 48' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -75.68 -25.78 57.03 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 119.351 -0.94 . . . . 57.89 112.44 -175.864 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 49' ' ' LYS . . . . . . . . . . . . . . . -72.56 -35.4 67.98 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 118.696 0.68 . . . . 77.56 110.805 173.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 50' ' ' SER . . . . . . . . . . . . . 98.0 p -72.35 -26.35 61.89 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.097 -0.641 . . . . 88.91 111.549 174.292 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . . . -88.67 -20.39 7.28 Favored 'Isoleucine or valine' 0 C--O 1.239 0.512 0 N-CA-C 113.545 0.943 . . . . 75.08 113.545 -179.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 52' ' ' TYR . . . . . . . . . . . . . . . -110.92 1.25 17.45 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 118.594 0.634 . . . . 72.86 112.618 176.715 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 53' ' ' ARG . . . . . . . . . . . . . . . -104.14 -7.56 20.08 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 112.369 0.507 . . . . 82.92 112.369 170.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 54' ' ' PHE . . . . . . . . . . . . . . . -101.23 -8.73 21.91 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 112.722 0.638 . . . . 87.85 112.722 173.773 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 55' ' ' PHE . . . . . . . . . . . . . . . -113.39 27.28 9.71 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 123.142 0.577 . . . . 88.84 111.676 176.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 56' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.725 0.297 . . . . 89.92 110.804 -179.784 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 23' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.729 0.3 . . . . 82.32 111.14 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 24' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' F' ' 24' ' ' ASP . 6.8 p-10 -65.35 162.42 41.3 Favored Pre-proline 0 N--CA 1.452 -0.374 0 CA-C-N 116.134 -0.484 . . . . 85.59 110.326 178.593 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -55.5 -34.34 89.24 Favored 'Trans proline' 0 C--O 1.237 0.438 0 N-CA-C 113.519 0.546 . . . . 76.14 113.519 179.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 26' ' ' LEU . . . . . . . . . . . . . 22.7 tp -60.6 -44.48 96.23 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.186 -0.606 . . . . 74.12 111.123 175.215 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.53 -39.2 85.06 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.393 -0.523 . . . . 71.08 111.472 -179.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 28' ' ' VAL . . . . . . . . . . . . . 69.8 t -63.68 -46.39 94.82 Favored 'Isoleucine or valine' 0 C--O 1.241 0.624 0 CA-C-O 121.282 0.563 . . . . 75.3 110.384 178.831 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.31 -42.07 98.05 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 120.72 -0.392 . . . . 69.74 111.076 177.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.56 -37.68 88.26 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 120.411 -0.516 . . . . 58.9 111.418 179.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 31' ' ' SER . . . . . . . . . . . . . 60.9 m -68.47 -46.77 68.86 Favored 'General case' 0 C--O 1.24 0.602 0 C-N-CA 120.5 -0.48 . . . . 60.17 111.041 -179.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 79.7 mt -59.68 -40.62 82.79 Favored 'Isoleucine or valine' 0 C--O 1.239 0.512 0 C-N-CA 120.187 -0.605 . . . . 58.91 110.245 176.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 mp -67.15 -36.73 77.68 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 O-C-N 122.092 -0.38 . . . . 53.91 110.668 -179.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.16 -40.57 92.61 Favored Glycine 0 C--N 1.333 0.388 0 C-N-CA 119.978 -1.106 . . . . 48.19 112.4 177.292 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 35' ' ' ILE . . . . . . . . . . . . . 83.7 mt -62.63 -47.42 93.03 Favored 'Isoleucine or valine' 0 C--O 1.241 0.632 0 CA-C-O 121.291 0.567 . . . . 54.81 110.303 176.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 36' ' ' LEU . . . . . . . . . . . . . 32.9 tp -63.47 -34.05 76.92 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 120.26 -0.576 . . . . 52.39 111.373 178.958 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 37' ' ' HIS . . . . . 0.706 ' CD2' ' O ' ' F' ' 101' ' ' HOH . 0.8 OUTLIER -66.63 -43.29 85.08 Favored 'General case' 0 C--O 1.236 0.374 0 O-C-N 122.312 -0.243 . . . . 58.55 111.018 178.439 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' F' F ' 38' ' ' LEU . . . . . 0.59 HD22 HG13 ' E' ' 33' ' ' ILE . 5.6 tp -62.36 -43.09 99.64 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 119.248 -0.981 . . . . 53.69 110.976 176.009 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 39' ' ' ILE . . . . . . . . . . . . . 44.1 mm -61.59 -47.6 92.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.563 0 C-N-CA 120.223 -0.591 . . . . 53.62 110.574 -179.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 40' ' ' LEU . . . . . . . . . . . . . 12.1 mt -63.36 -46.53 86.12 Favored 'General case' 0 C--O 1.236 0.368 0 O-C-N 121.997 -0.439 . . . . 54.37 111.291 -178.506 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 41' ' ' TRP . . . . . . . . . . . . . 89.6 t90 -67.29 -31.61 72.04 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.09 -0.644 . . . . 55.74 111.103 -178.155 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 42' ' ' ILE . . . . . . . . . . . . . 3.9 mm -68.85 -43.72 82.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 C-N-CA 120.632 -0.427 . . . . 56.59 110.393 176.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 43' ' ' LEU . . . . . . . . . . . . . 8.5 mp -59.26 -42.97 92.44 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 119.85 -0.74 . . . . 55.41 110.878 174.402 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 44' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -61.19 -45.64 93.75 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 120.812 0.339 . . . . 59.57 111.299 179.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 45' ' ' ARG . . . . . 0.791 HH12 HH21 ' G' ' 45' ' ' ARG . 4.8 mmm180 -72.36 -35.77 68.6 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 120.179 -0.608 . . . . 66.1 111.43 -176.118 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 46' ' ' LEU . . . . . 0.429 ' HA ' ' HG2' ' F' ' 49' ' ' LYS . 4.0 pp -68.03 -39.01 83.2 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 119.124 -1.03 . . . . 74.75 110.721 176.995 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 47' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -59.34 -47.95 83.48 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 120.718 -0.393 . . . . 68.49 110.961 173.659 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 48' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -65.52 -41.34 93.25 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.602 -0.439 . . . . 72.18 111.748 -177.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 49' ' ' LYS . . . . . 0.429 ' HG2' ' HA ' ' F' ' 46' ' ' LEU . 16.7 ptpt -75.13 -28.19 60.07 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 119.809 -0.756 . . . . 82.64 111.709 -178.171 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 50' ' ' SER . . . . . . . . . . . . . 97.3 p -73.31 -32.15 64.44 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 119.981 -0.688 . . . . 101.33 111.289 173.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . . . -70.98 -45.47 72.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 C-N-CA 120.061 -0.655 . . . . 82.98 110.458 175.598 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 52' ' ' TYR . . . . . . . . . . . . . . . -74.32 -11.94 60.4 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 112.929 0.714 . . . . 72.2 112.929 179.007 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 53' ' ' ARG . . . . . . . . . . . . . . . -96.82 -2.81 43.33 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 118.354 0.525 . . . . 82.64 112.318 174.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 54' ' ' PHE . . . . . . . . . . . . . . . -112.41 -15.32 13.14 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 113.452 0.908 . . . . 87.37 113.452 176.105 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 55' ' ' PHE . . . . . . . . . . . . . . . -119.98 20.2 12.19 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 118.364 0.529 . . . . 71.71 111.828 176.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 56' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.888 0.375 . . . . 60.75 110.844 179.525 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 23' ' ' SER . . . . . . . . . . . . . 91.6 p . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.755 0.312 . . . . 63.88 111.021 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 24' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' G' ' 24' ' ' ASP . 3.5 p-10 -71.1 149.39 94.56 Favored Pre-proline 0 C--O 1.236 0.383 0 CA-C-N 116.2 -0.454 . . . . 80.87 110.548 -179.968 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' G' G ' 25' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -61.88 -30.7 84.38 Favored 'Trans proline' 0 CA--C 1.515 -0.451 0 N-CA-C 113.161 0.408 . . . . 76.45 113.161 179.127 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 tt -59.42 -49.24 78.57 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 118.155 0.434 . . . . 66.09 110.602 174.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.13 -34.19 75.89 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 120.624 -0.431 . . . . 64.34 111.831 179.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 28' ' ' VAL . . . . . . . . . . . . . 43.3 t -64.7 -45.77 94.27 Favored 'Isoleucine or valine' 0 C--O 1.241 0.619 0 CA-C-O 121.296 0.57 . . . . 62.72 110.433 177.648 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.7 -40.02 95.82 Favored 'General case' 0 C--O 1.233 0.236 0 O-C-N 122.055 -0.403 . . . . 57.91 111.103 176.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.31 -36.0 82.7 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 120.201 -0.6 . . . . 56.37 111.284 177.84 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 31' ' ' SER . . . . . . . . . . . . . 49.3 m -65.44 -49.66 68.33 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.006 0.431 . . . . 60.1 110.963 177.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 69.3 mt -61.25 -36.25 71.51 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 C-N-CA 120.174 -0.61 . . . . 56.46 110.45 178.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 33' ' ' ILE . . . . . 0.457 HD12 HG12 ' H' ' 35' ' ' ILE . 4.0 mt -68.15 -39.11 80.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 O-C-N 121.889 -0.507 . . . . 49.59 110.864 179.144 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' G' G ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.66 -39.97 97.13 Favored Glycine 0 C--N 1.333 0.397 0 C-N-CA 119.813 -1.184 . . . . 50.42 112.423 176.479 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 35' ' ' ILE . . . . . . . . . . . . . 78.2 mt -64.36 -48.45 85.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 C-N-CA 120.354 -0.539 . . . . 53.24 110.363 177.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tp -61.39 -33.35 73.52 Favored 'General case' 0 C--O 1.232 0.176 0 O-C-N 121.892 -0.505 . . . . 51.62 111.51 177.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 37' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -65.05 -48.05 75.2 Favored 'General case' 0 C--O 1.236 0.367 0 O-C-N 122.259 -0.276 . . . . 58.52 110.752 178.277 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 38' ' ' LEU . . . . . . . . . . . . . 3.5 tp -59.52 -42.47 92.32 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 119.891 -0.724 . . . . 49.59 111.224 176.028 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.53 -49.95 80.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 CA-C-O 121.29 0.567 . . . . 49.29 110.591 -177.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 40' ' ' LEU . . . . . . . . . . . . . 24.6 mt -64.52 -36.33 83.85 Favored 'General case' 0 C--O 1.234 0.26 0 O-C-N 121.946 -0.471 . . . . 52.07 111.163 -178.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 41' ' ' TRP . . . . . . . . . . . . . 77.7 t90 -70.78 -37.89 73.38 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 119.289 -0.964 . . . . 58.0 111.279 -179.024 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 42' ' ' ILE . . . . . . . . . . . . . 41.3 pt -72.01 -35.38 53.74 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 C-N-CA 118.112 -1.435 . . . . 58.17 110.42 178.749 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -62.47 -48.75 78.24 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 119.628 -0.829 . . . . 56.81 110.944 173.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 44' ' ' ASP . . . . . 0.402 ' CG ' ' HD2' ' H' ' 45' ' ' ARG . 2.9 t70 -54.26 -54.6 37.87 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.867 0.365 . . . . 62.59 111.605 177.06 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' G' G ' 45' ' ' ARG . . . . . 0.791 HH21 HH12 ' F' ' 45' ' ' ARG . 0.7 OUTLIER -72.61 -25.58 61.36 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 119.691 -0.804 . . . . 70.38 111.832 -173.896 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' G' G ' 46' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -67.88 -48.44 66.07 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 119.922 -0.711 . . . . 76.45 110.56 172.889 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 47' ' ' PHE . . . . . . . . . . . . . 16.2 m-30 -60.8 -39.92 90.73 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 119.88 -0.728 . . . . 78.06 111.197 177.447 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 48' ' ' PHE . . . . . 0.461 ' HA ' HG12 ' G' ' 51' ' ' ILE . 5.6 m-85 -74.16 -39.25 63.37 Favored 'General case' 0 C--O 1.233 0.207 0 O-C-N 122.046 -0.409 . . . . 81.88 111.989 -176.462 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' G' G ' 49' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -71.17 -22.13 62.07 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 121.704 -0.622 . . . . 89.5 112.031 174.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 50' ' ' SER . . . . . . . . . . . . . 97.3 p -79.77 -35.35 38.78 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.261 -0.576 . . . . 98.57 111.325 175.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 51' ' ' ILE . . . . . 0.461 HG12 ' HA ' ' G' ' 48' ' ' PHE . 32.7 pt -79.13 -24.69 12.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 119.509 -0.877 . . . . 92.71 111.065 176.164 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' G' G ' 52' ' ' TYR . . . . . . . . . . . . . . . -91.08 -4.08 56.6 Favored 'General case' 0 C--O 1.235 0.326 0 O-C-N 121.62 -0.675 . . . . 90.13 112.444 173.605 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 53' ' ' ARG . . . . . . . . . . . . . . . -102.75 -14.17 16.75 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 112.265 0.469 . . . . 112.14 112.265 167.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 54' ' ' PHE . . . . . . . . . . . . . . . -89.53 -17.55 28.38 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 112.727 0.639 . . . . 115.48 112.727 172.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 55' ' ' PHE . . . . . . . . . . . . . . . -99.08 24.02 8.35 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 123.079 0.551 . . . . 90.97 112.102 174.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 56' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 82.87 110.781 179.971 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 23' ' ' SER . . . . . . . . . . . . . 41.8 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.651 0.262 . . . . 61.64 110.964 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 24' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -58.79 117.09 18.18 Favored Pre-proline 0 C--O 1.24 0.585 0 CA-C-N 115.953 -0.567 . . . . 65.55 110.025 176.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 25' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -57.5 -33.72 96.88 Favored 'Trans proline' 0 CA--C 1.515 -0.444 0 CA-C-N 119.089 0.71 . . . . 71.37 113.225 -179.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 26' ' ' LEU . . . . . . . . . . . . . 1.5 mt -56.68 -57.32 12.93 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.036 0.446 . . . . 60.66 110.809 176.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.74 -34.9 79.43 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.762 -0.375 . . . . 62.17 111.792 -178.871 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 28' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.75 -51.43 67.28 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 CA-C-O 121.098 0.475 . . . . 58.69 110.445 -179.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.96 -39.33 93.9 Favored 'General case' 0 C--O 1.236 0.368 0 O-C-N 121.936 -0.477 . . . . 58.0 111.348 179.472 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.53 -39.15 93.68 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 120.117 -0.633 . . . . 53.26 111.25 178.292 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 31' ' ' SER . . . . . 0.407 ' O ' HG13 ' H' ' 35' ' ' ILE . 24.1 m -67.62 -43.81 79.52 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 120.766 -0.374 . . . . 56.96 111.258 179.258 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 52.2 mt -62.86 -42.99 98.52 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 C-N-CA 120.209 -0.596 . . . . 51.15 110.437 179.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 33' ' ' ILE . . . . . 0.617 HD12 HG13 ' E' ' 35' ' ' ILE . 3.1 mt -65.94 -36.21 76.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 O-C-N 121.914 -0.491 . . . . 47.04 110.914 178.078 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.75 -43.15 98.19 Favored Glycine 0 C--N 1.332 0.341 0 C-N-CA 119.862 -1.161 . . . . 55.95 112.673 176.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 35' ' ' ILE . . . . . 0.457 HG12 HD12 ' G' ' 33' ' ' ILE . 61.1 mt -64.88 -45.93 93.35 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 O-C-N 122.215 -0.58 . . . . 53.09 110.568 178.14 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -62.98 -36.56 83.91 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.074 -0.651 . . . . 45.7 111.113 178.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 37' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -66.52 -43.69 84.54 Favored 'General case' 0 CA--C 1.518 -0.276 0 O-C-N 122.19 -0.319 . . . . 57.72 110.917 179.364 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 38' ' ' LEU . . . . . 0.452 HD22 HG23 ' G' ' 33' ' ' ILE . 63.3 tp -62.72 -40.97 98.85 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 119.463 -0.895 . . . . 53.1 111.096 176.705 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 39' ' ' ILE . . . . . . . . . . . . . 27.2 mm -63.69 -49.45 82.16 Favored 'Isoleucine or valine' 0 C--O 1.242 0.699 0 CA-C-O 121.24 0.543 . . . . 52.61 110.651 -179.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 40' ' ' LEU . . . . . . . . . . . . . 9.4 mt -65.03 -37.38 87.41 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 120.286 -0.565 . . . . 51.43 111.397 -179.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 41' ' ' TRP . . . . . . . . . . . . . 67.1 t90 -66.66 -37.97 85.88 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 120.284 -0.567 . . . . 56.09 111.142 177.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 42' ' ' ILE . . . . . . . . . . . . . 3.4 mm -65.77 -43.74 93.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 C-N-CA 120.579 -0.448 . . . . 64.2 110.586 178.932 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 43' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.14 -34.06 68.24 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 118.31 -1.356 . . . . 56.41 111.688 179.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -61.63 -44.47 96.93 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.922 -0.311 . . . . 58.55 110.689 174.26 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 45' ' ' ARG . . . . . 0.402 ' HD2' ' CG ' ' G' ' 44' ' ' ASP . 11.0 mmp_? -71.21 -29.89 65.7 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 120.276 -0.57 . . . . 69.05 111.727 179.726 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 46' ' ' LEU . . . . . . . . . . . . . 3.0 mp -64.53 -45.12 88.55 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 119.858 -0.737 . . . . 65.91 110.868 172.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 47' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -62.41 -42.85 99.75 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.52 -0.472 . . . . 69.6 111.287 176.828 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 48' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -69.83 -33.01 71.73 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 119.948 -0.701 . . . . 74.58 111.762 -179.181 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 49' ' ' LYS . . . . . . . . . . . . . 24.3 tttp -67.2 -43.37 82.27 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 118.056 0.389 . . . . 89.22 111.101 174.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 50' ' ' SER . . . . . . . . . . . . . 98.1 p -70.15 -24.35 63.15 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.05 -0.66 . . . . 100.37 111.687 178.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 51' ' ' ILE . . . . . . . . . . . . . . . -88.5 -29.81 5.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 N-CA-C 112.472 0.545 . . . . 101.73 112.472 -179.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 52' ' ' TYR . . . . . . . . . . . . . . . -103.42 11.36 36.59 Favored 'General case' 0 C--O 1.235 0.312 0 O-C-N 121.851 -0.531 . . . . 88.22 112.244 177.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 53' ' ' ARG . . . . . . . . . . . . . . . -92.61 -11.76 33.45 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 112.421 0.526 . . . . 110.76 112.421 170.204 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 54' ' ' PHE . . . . . . . . . . . . . . . -87.73 -24.75 23.74 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 112.48 0.548 . . . . 110.65 112.48 177.044 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 55' ' ' PHE . . . . . . . . . . . . . . . -78.74 -34.39 45.82 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 112.295 0.48 . . . . 119.26 112.295 179.382 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 56' ' ' GLU . . . . . . . . . . . . . . . -84.3 -58.77 2.61 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.689 -0.405 . . . . 105.14 111.438 -177.6 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 57' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 O-C-N 122.08 -0.387 . . . . 92.67 111.223 -178.755 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 101' ' ' E01 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 101' ' ' E01 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 201' ' ' HOH . . . . . 0.844 ' O ' ' HD2' ' E' ' 37' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 101' ' ' HOH . . . . . 0.706 ' O ' ' CD2' ' F' ' 37' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' SER . . . . . 0.694 ' HB3' ' HB3' ' D' ' 24' ' ' ASP . 69.7 m . . . . . 0 CA--C 1.521 -0.145 0 CA-C-O 120.467 0.175 . . . . 66.9 111.057 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.5 t -153.41 97.88 2.19 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 108.712 -0.848 . . . . 57.58 108.712 -178.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -108.8 124.72 33.47 Favored Pre-proline 0 C--O 1.24 0.575 0 N-CA-C 106.837 -1.542 . . . . 49.06 106.837 161.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -56.5 -41.48 75.64 Favored 'Trans proline' 0 C--O 1.238 0.512 0 CA-C-N 120.052 1.054 . . . . 61.55 112.789 179.039 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.8 tp -62.65 -40.8 98.19 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 120.877 -0.329 . . . . 37.51 111.313 177.049 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.91 -41.7 82.24 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.346 -0.542 . . . . 37.88 111.458 -178.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.0 t -64.87 -41.86 93.3 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 C-N-CA 120.68 -0.408 . . . . 38.47 110.559 177.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.3 -47.92 83.96 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 121.954 -0.466 . . . . 31.77 110.945 177.038 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.9 -31.31 72.17 Favored 'General case' 0 CA--C 1.521 -0.165 0 C-N-CA 120.43 -0.508 . . . . 27.53 111.814 -179.601 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.2 m -69.09 -49.1 60.26 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 120.566 -0.454 . . . . 30.57 111.107 178.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.2 mt -59.83 -38.5 76.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.474 0 C-N-CA 120.303 -0.559 . . . . 26.53 110.243 176.162 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.408 HD13 ' HA ' ' A' ' 33' ' ' ILE . 4.4 mm -66.71 -38.77 82.23 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 O-C-N 121.997 -0.44 . . . . 20.8 110.694 179.939 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.37 -39.05 94.09 Favored Glycine 0 C--N 1.334 0.423 0 C-N-CA 120.083 -1.056 . . . . 24.36 112.558 177.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.7 mt -64.63 -49.19 81.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 C-N-CA 120.199 -0.6 . . . . 24.11 110.406 177.107 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.0 tp -61.32 -32.91 72.79 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.204 -0.599 . . . . 23.56 111.447 177.606 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -68.96 -43.86 74.12 Favored 'General case' 0 C--O 1.235 0.302 0 O-C-N 122.209 -0.307 . . . . 24.61 110.902 179.658 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.4 tp -58.58 -44.4 89.78 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 119.958 -0.697 . . . . 24.84 110.841 174.002 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.4 mt -62.92 -47.35 93.22 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 CA-C-O 121.244 0.545 . . . . 23.93 110.7 -178.513 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.6 mt -68.42 -39.87 81.42 Favored 'General case' 0 C--O 1.234 0.238 0 O-C-N 121.856 -0.527 . . . . 33.52 111.518 -176.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -68.37 -32.77 73.08 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 119.029 -1.068 . . . . 32.12 111.104 177.211 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.469 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 4.6 mt -64.31 -45.27 96.58 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 C-N-CA 120.536 -0.465 . . . . 33.57 110.223 175.937 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.1 mt -67.11 -40.69 86.92 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 119.722 -0.791 . . . . 31.23 111.47 179.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -59.37 -54.17 49.75 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.649 0.261 . . . . 48.16 111.101 177.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -69.04 -26.27 64.89 Favored 'General case' 0 CA--C 1.521 -0.154 0 C-N-CA 119.797 -0.761 . . . . 39.64 111.797 -179.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.469 ' HB2' ' O ' ' A' ' 42' ' ' ILE . 2.5 tt -67.5 -51.94 45.11 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.269 -0.572 . . . . 40.42 110.62 177.745 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -71.3 -23.19 61.91 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 118.567 -1.253 . . . . 44.31 111.792 178.292 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -71.03 -46.2 62.53 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 120.296 -0.561 . . . . 50.06 111.046 175.666 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.5 mttm -64.14 -34.99 79.33 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 108.055 -1.091 . . . . 57.78 108.055 178.479 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.7 t -63.58 -50.94 67.5 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 124.832 1.333 . . . . 60.81 108.769 178.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . . . -57.99 -39.55 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 N-CA-C 107.474 -1.306 . . . . 65.17 107.474 178.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . . . -84.06 6.17 23.19 Favored 'General case' 0 C--O 1.236 0.352 0 O-C-N 124.859 1.349 . . . . 58.17 112.361 178.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . . . -98.18 -28.94 13.49 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 112.555 0.576 . . . . 76.55 112.555 170.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . . . -82.5 -10.57 58.95 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 112.708 0.633 . . . . 76.15 112.708 173.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . . . -108.27 16.54 23.11 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 123.07 0.548 . . . . 54.88 112.168 176.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.236 0 CA-C-O 120.809 0.338 . . . . 55.0 110.662 178.418 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t70 . . . . . 0 C--O 1.233 0.203 0 N-CA-C 110.387 -0.227 . . . . 33.94 110.387 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -54.93 -37.83 93.09 Favored 'Trans proline' 0 C--O 1.237 0.465 0 O-C-N 122.963 0.981 . . . . 27.14 113.333 173.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 27.6 tp -64.94 -43.54 92.4 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.652 -0.419 . . . . 26.99 111.225 177.648 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.45 -40.42 97.1 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.422 -0.511 . . . . 23.65 111.232 178.09 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 70.7 t -65.19 -44.89 95.22 Favored 'Isoleucine or valine' 0 C--O 1.241 0.621 0 CA-C-O 121.026 0.441 . . . . 25.44 110.598 179.106 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.06 -46.84 88.22 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 122.003 -0.435 . . . . 22.09 111.022 178.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.25 -37.11 86.31 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 120.488 -0.485 . . . . 24.55 111.439 -179.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 16.3 m -65.24 -47.55 76.37 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 121.043 0.449 . . . . 28.04 110.977 179.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 49.4 mm -67.07 -37.82 80.03 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 C-N-CA 120.095 -0.642 . . . . 24.54 110.568 -178.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.443 HD12 HG12 ' C' ' 35' ' ' ILE . 7.5 mt -62.76 -40.2 87.74 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.204 0 O-C-N 121.912 -0.493 . . . . 21.07 110.84 175.133 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.19 -40.11 96.55 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 119.862 -1.161 . . . . 25.1 112.534 178.235 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 89.6 mt -65.83 -49.15 79.14 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 122.198 -0.589 . . . . 21.39 110.534 178.943 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 26.8 tp -61.35 -34.12 74.76 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 120.141 -0.624 . . . . 22.39 111.526 177.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -64.4 -47.45 79.17 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 120.66 0.267 . . . . 21.94 110.68 178.4 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 35.3 tp -62.05 -42.23 98.96 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 119.587 -0.845 . . . . 30.79 111.254 177.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 66.3 mt -64.15 -47.54 89.61 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 C-N-CA 120.238 -0.585 . . . . 28.8 110.736 -178.276 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 79.9 mt -67.95 -35.06 77.77 Favored 'General case' 0 C--O 1.234 0.272 0 O-C-N 121.808 -0.557 . . . . 25.96 111.276 -178.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 80.1 t90 -67.79 -34.27 76.44 Favored 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 120.236 -0.586 . . . . 39.13 111.41 175.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 3.5 mt -68.72 -42.78 83.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 C-N-CA 120.407 -0.517 . . . . 35.0 110.6 176.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 78.9 mt -62.32 -41.37 98.49 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 119.781 -0.768 . . . . 30.44 110.894 175.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' ASP . . . . . 0.553 ' OD2' ' NH2' ' B' ' 45' ' ' ARG . 29.7 t70 -62.55 -40.04 95.55 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 120.623 0.249 . . . . 33.12 111.218 176.961 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.553 ' NH2' ' OD2' ' B' ' 44' ' ' ASP . 2.9 mmp_? -69.39 -38.71 78.11 Favored 'General case' 0 CA--C 1.519 -0.247 0 C-N-CA 120.873 -0.331 . . . . 36.4 111.18 -179.172 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.96 -44.67 92.07 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 120.007 -0.677 . . . . 36.85 110.666 175.269 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -53.44 -57.51 10.39 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.148 0.499 . . . . 38.35 110.845 175.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -74.29 -25.2 59.45 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 112.738 0.644 . . . . 46.28 112.738 -173.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . . . -74.8 -37.47 62.36 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 118.927 0.785 . . . . 48.5 111.349 176.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 99.5 p -76.5 -16.95 59.52 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 120.043 -0.663 . . . . 63.04 112.225 173.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . . . -87.21 -31.25 5.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 N-CA-C 112.151 0.426 . . . . 50.15 112.151 175.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . . . -106.13 14.03 28.24 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 121.946 -0.471 . . . . 48.68 112.225 177.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . . . -91.83 -8.27 47.06 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 112.49 0.552 . . . . 67.93 112.49 172.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . . . -79.59 -25.35 41.55 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 118.121 0.419 . . . . 65.17 111.94 176.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . . . -70.12 -29.54 66.51 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.507 -0.477 . . . . 66.12 111.833 179.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.747 0.308 . . . . 60.58 111.027 179.697 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 N--CA 1.458 -0.055 0 CA-C-O 120.722 0.296 . . . . 30.07 111.422 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -70.47 135.01 86.43 Favored Pre-proline 0 C--O 1.238 0.457 0 N-CA-C 109.185 -0.672 . . . . 32.92 109.185 173.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -55.34 -41.36 78.97 Favored 'Trans proline' 0 C--O 1.238 0.522 0 CA-C-N 118.316 0.434 . . . . 31.14 113.015 177.173 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 mt -64.37 -41.23 96.83 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 120.145 -0.622 . . . . 31.94 111.188 178.33 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.38 -45.46 91.02 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.438 -0.505 . . . . 30.8 111.239 179.59 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 76.9 t -67.13 -44.84 87.69 Favored 'Isoleucine or valine' 0 C--O 1.241 0.629 0 C-N-CA 120.381 -0.528 . . . . 23.53 110.763 -178.029 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.49 -40.76 97.75 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 121.845 -0.535 . . . . 23.09 111.153 178.405 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.27 -38.79 92.28 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.693 -0.403 . . . . 23.54 111.25 178.014 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 95.6 p -62.49 -52.07 64.95 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-O 121.057 0.456 . . . . 28.13 111.168 177.792 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 70.6 mt -61.16 -37.95 78.6 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 CA-C-O 121.063 0.459 . . . . 22.88 110.486 -179.342 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.562 HD12 HG12 ' D' ' 35' ' ' ILE . 6.6 mt -70.68 -35.54 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 O-C-N 122.003 -0.436 . . . . 23.35 110.647 -177.982 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.63 -42.3 97.38 Favored Glycine 0 C--N 1.333 0.377 0 C-N-CA 119.776 -1.202 . . . . 25.82 112.356 174.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 35' ' ' ILE . . . . . 0.443 HG12 HD12 ' B' ' 33' ' ' ILE . 64.4 mt -60.05 -53.75 44.29 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 C-N-CA 120.38 -0.528 . . . . 32.76 110.43 176.674 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 16.0 tp -60.03 -34.15 72.99 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 122.08 -0.387 . . . . 24.97 111.676 179.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -67.57 -45.21 76.25 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 122.286 -0.259 . . . . 25.45 110.757 -178.768 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.489 ' O ' HG23 ' C' ' 42' ' ' ILE . 31.7 tp -65.7 -37.49 86.61 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 118.465 -1.294 . . . . 29.59 111.271 177.197 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 19.5 mt -63.1 -51.38 72.38 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 C-N-CA 119.805 -0.758 . . . . 26.65 110.669 179.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 23.0 mt -63.58 -31.02 72.07 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 120.196 -0.601 . . . . 23.55 111.507 179.015 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 72.3 t90 -68.66 -43.56 75.96 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 119.719 -0.792 . . . . 33.8 111.208 178.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 42' ' ' ILE . . . . . 0.489 HG23 ' O ' ' C' ' 38' ' ' LEU . 2.6 pt -67.93 -31.1 50.59 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.165 0 C-N-CA 118.497 -1.281 . . . . 34.42 110.4 178.674 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.414 ' N ' HG13 ' C' ' 42' ' ' ILE . 76.1 mt -70.1 -46.65 64.41 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 119.401 -0.92 . . . . 31.31 111.289 177.472 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -58.37 -49.52 76.93 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 120.814 0.34 . . . . 37.0 110.975 176.85 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.441 ' HD3' ' HA ' ' C' ' 45' ' ' ARG . 4.5 mmt180 -72.5 -22.94 60.97 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 120.151 -0.62 . . . . 37.64 112.549 -178.815 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 9.3 tt -67.34 -47.14 71.35 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 119.057 0.844 . . . . 45.85 110.365 170.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . . . -55.5 -47.4 76.28 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.457 -0.497 . . . . 45.09 110.92 174.416 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 12.2 m-30 -73.3 -34.14 65.57 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 119.833 -0.747 . . . . 44.52 112.232 -174.139 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -73.7 -33.01 64.21 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 118.387 0.539 . . . . 54.88 111.362 177.891 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 97.3 p -69.13 -34.32 74.84 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 119.878 -0.729 . . . . 63.8 111.263 172.413 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . . . -68.72 -45.34 81.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 C-N-CA 120.272 -0.571 . . . . 60.2 110.666 177.495 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 52' ' ' TYR . . . . . . . . . . . . . . . -75.98 -11.68 60.0 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 112.892 0.701 . . . . 60.58 112.892 178.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . . . -86.08 14.56 6.1 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 118.36 0.527 . . . . 69.3 112.408 176.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 54' ' ' PHE . . . . . . . . . . . . . . . -121.27 -26.67 5.01 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 113.669 0.989 . . . . 80.67 113.669 177.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 55' ' ' PHE . . . . . . . . . . . . . . . -103.4 26.85 7.89 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 118.509 0.595 . . . . 68.54 112.325 179.416 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.807 0.336 . . . . 79.14 111.118 179.788 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 47.2 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.836 0.351 . . . . 51.26 111.036 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 24' ' ' ASP . . . . . 0.694 ' HB3' ' HB3' ' A' ' 22' ' ' SER . 25.7 p-10 -98.82 166.04 13.87 Favored Pre-proline 0 C--N 1.323 -0.575 0 C-N-CA 123.659 0.784 . . . . 49.52 110.294 179.036 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 25' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' D' ' 24' ' ' ASP . 9.2 Cg_endo -53.01 -34.77 68.92 Favored 'Trans proline' 0 CA--C 1.515 -0.469 0 N-CA-C 113.941 0.708 . . . . 39.47 113.941 179.673 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 22.8 tp -59.09 -49.03 79.44 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.364 -0.534 . . . . 31.55 110.849 176.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.91 -39.18 87.31 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.487 -0.485 . . . . 33.55 111.556 -178.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 30.4 t -65.79 -47.49 85.58 Favored 'Isoleucine or valine' 0 C--O 1.241 0.646 0 C-N-CA 120.157 -0.617 . . . . 40.42 110.59 -179.219 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.01 -40.13 92.39 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 120.663 -0.415 . . . . 28.01 111.131 177.065 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.21 -36.23 83.53 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 120.318 -0.553 . . . . 27.09 111.369 179.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 49.4 m -67.03 -48.44 68.33 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 120.532 -0.467 . . . . 30.35 110.919 177.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 25.2 mt -57.11 -41.29 77.42 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 C-N-CA 120.374 -0.53 . . . . 25.21 110.347 176.826 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 13.3 mt -70.48 -36.65 67.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 O-C-N 122.085 -0.384 . . . . 23.01 110.781 -176.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.72 -39.36 90.25 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.024 -1.084 . . . . 24.15 112.573 177.123 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 35' ' ' ILE . . . . . 0.562 HG12 HD12 ' C' ' 33' ' ' ILE . 69.7 mt -63.24 -45.1 99.23 Favored 'Isoleucine or valine' 0 C--O 1.243 0.736 0 C-N-CA 119.845 -0.742 . . . . 22.94 110.448 175.232 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 29.0 tp -58.31 -40.6 82.48 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 122.015 -0.428 . . . . 28.62 111.244 175.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -65.33 -43.74 90.01 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 121.048 -0.261 . . . . 24.09 111.084 -178.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.403 HD22 HG23 ' C' ' 33' ' ' ILE . 11.1 tp -59.91 -46.75 88.36 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 119.63 -0.828 . . . . 29.13 110.943 176.355 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 60.9 mt -62.1 -43.25 97.52 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 C-N-CA 120.085 -0.646 . . . . 28.62 110.832 -178.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 40' ' ' LEU . . . . . 0.435 ' O ' ' HG ' ' D' ' 43' ' ' LEU . 29.7 mt -65.45 -45.55 83.35 Favored 'General case' 0 C--O 1.237 0.416 0 O-C-N 121.853 -0.529 . . . . 34.34 111.237 -178.319 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -67.71 -29.69 69.0 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 118.94 -1.104 . . . . 32.32 111.099 179.408 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 4.8 mm -62.96 -46.75 95.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-O 120.8 0.333 . . . . 32.01 110.199 174.08 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' D' ' 40' ' ' LEU . 1.3 pp -65.14 -38.17 89.76 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 118.968 -1.093 . . . . 36.89 110.814 179.522 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -62.88 -50.04 72.47 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 120.925 0.393 . . . . 34.78 111.072 -179.888 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 45' ' ' ARG . . . . . 0.408 ' HD3' ' HA ' ' D' ' 45' ' ' ARG . 0.5 OUTLIER -70.08 -30.97 68.34 Favored 'General case' 0 CA--C 1.521 -0.16 0 C-N-CA 120.072 -0.651 . . . . 38.87 111.926 -179.151 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 12.2 tp -67.01 -43.19 83.49 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 120.132 -0.627 . . . . 42.28 110.948 175.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -61.26 -45.13 95.77 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.966 -0.294 . . . . 49.28 111.165 176.173 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -69.25 -36.83 77.55 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 119.594 -0.842 . . . . 48.62 111.697 -178.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . . . -72.78 -29.27 63.16 Favored 'General case' 0 C--O 1.234 0.255 0 O-C-N 121.832 -0.543 . . . . 58.21 111.698 178.742 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 97.8 p -75.51 -30.48 59.83 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.4 -0.52 . . . . 83.93 111.596 174.703 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . . . -74.95 -33.64 30.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 C-N-CA 119.908 -0.717 . . . . 65.79 110.987 175.024 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 52' ' ' TYR . . . . . . . . . . . . . . . -92.2 3.66 54.88 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 112.852 0.686 . . . . 58.71 112.852 178.245 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . . . -105.8 -0.9 24.93 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 112.33 0.493 . . . . 73.82 112.33 174.324 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 54' ' ' PHE . . . . . . . . . . . . . . . -120.09 -18.66 8.04 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 113.538 0.94 . . . . 91.76 113.538 174.541 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 55' ' ' PHE . . . . . . . . . . . . . . . -114.3 26.87 9.91 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 118.609 0.64 . . . . 79.57 111.788 176.755 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.224 0 CA-C-O 120.99 0.424 . . . . 82.25 110.54 179.314 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 23' ' ' SER . . . . . . . . . . . . . 68.4 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.941 0.401 . . . . 51.35 111.12 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 24' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' E' ' 27' ' ' ALA . 2.5 p30 -128.11 153.36 78.56 Favored Pre-proline 0 C--O 1.237 0.441 0 C-N-CA 123.184 0.594 . . . . 58.43 109.426 178.158 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 25' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -58.57 -32.64 97.04 Favored 'Trans proline' 0 CA--C 1.512 -0.584 0 O-C-N 121.948 0.446 . . . . 60.32 112.978 -179.889 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 26' ' ' LEU . . . . . . . . . . . . . 19.9 tp -62.21 -47.86 82.59 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.42 -0.512 . . . . 70.37 110.998 177.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 27' ' ' ALA . . . . . 0.487 ' N ' ' OD1' ' E' ' 24' ' ' ASP . . . -67.2 -39.6 86.35 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.381 -0.528 . . . . 63.97 111.588 -179.876 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 28' ' ' VAL . . . . . . . . . . . . . 99.4 t -65.0 -45.77 93.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 C-N-CA 120.345 -0.542 . . . . 57.17 110.499 -179.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.32 -35.76 81.91 Favored 'General case' 0 C--O 1.234 0.244 0 O-C-N 121.961 -0.462 . . . . 55.9 111.133 177.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.82 -38.89 92.49 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.126 -0.63 . . . . 56.96 111.196 176.777 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 31' ' ' SER . . . . . . . . . . . . . 75.2 m -64.91 -47.2 78.6 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 120.399 -0.52 . . . . 56.63 111.013 177.457 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 26.1 mt -60.27 -40.12 82.82 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 C-N-CA 120.417 -0.513 . . . . 57.36 110.53 178.44 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 33' ' ' ILE . . . . . 0.59 HG13 HD22 ' F' ' 38' ' ' LEU . 1.4 mp -67.86 -39.48 81.88 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.142 0 O-C-N 122.059 -0.4 . . . . 51.6 110.602 -179.008 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.57 -44.58 97.78 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 119.816 -1.183 . . . . 58.25 112.354 175.222 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 35' ' ' ILE . . . . . 0.617 HG13 HD12 ' H' ' 33' ' ' ILE . 1.7 mp -61.79 -51.1 76.71 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 O-C-N 122.324 -0.516 . . . . 60.54 110.428 179.745 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 36' ' ' LEU . . . . . . . . . . . . . 17.0 tp -66.14 -32.74 74.37 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 119.711 -0.796 . . . . 51.93 111.675 -178.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 37' ' ' HIS . . . . . . . . . . . . . 13.3 t-160 -64.16 -45.2 89.46 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.704 0.288 . . . . 57.16 110.543 177.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 38' ' ' LEU . . . . . 0.485 HD22 HG23 ' H' ' 33' ' ' ILE . 60.1 tp -64.96 -40.13 94.53 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 118.895 -1.122 . . . . 58.92 111.261 177.457 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 39' ' ' ILE . . . . . . . . . . . . . 41.7 mt -62.65 -50.21 80.67 Favored 'Isoleucine or valine' 0 C--O 1.24 0.588 0 C-N-CA 119.828 -0.749 . . . . 58.11 110.653 -179.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 40' ' ' LEU . . . . . . . . . . . . . 19.1 mt -67.27 -34.35 77.23 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 120.284 -0.566 . . . . 57.46 111.708 -178.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 41' ' ' TRP . . . . . . . . . . . . . 31.7 t90 -68.64 -33.88 74.76 Favored 'General case' 0 CA--C 1.519 -0.242 0 C-N-CA 119.525 -0.87 . . . . 61.8 111.384 176.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 42' ' ' ILE . . . . . 0.452 HD13 ' HA ' ' E' ' 42' ' ' ILE . 4.5 mm -66.69 -41.5 88.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 C-N-CA 120.499 -0.481 . . . . 66.14 110.345 176.056 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 63.5 mt -66.76 -39.11 87.76 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 119.599 -0.841 . . . . 69.18 111.375 177.637 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 44' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -64.14 -44.0 93.5 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 122.179 -0.325 . . . . 64.1 111.269 177.102 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -67.19 -32.0 72.78 Favored 'General case' 0 CA--C 1.521 -0.159 0 O-C-N 122.161 -0.337 . . . . 55.91 111.554 177.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 46' ' ' LEU . . . . . . . . . . . . . 65.9 tp -65.81 -45.71 81.34 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.342 -0.543 . . . . 61.27 110.768 174.405 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 47' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.62 -48.13 80.27 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 120.71 -0.396 . . . . 58.98 111.055 176.646 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 48' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -75.68 -25.78 57.03 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 119.351 -0.94 . . . . 57.89 112.44 -175.864 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 49' ' ' LYS . . . . . . . . . . . . . . . -72.56 -35.4 67.98 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 118.696 0.68 . . . . 77.56 110.805 173.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 50' ' ' SER . . . . . . . . . . . . . 98.0 p -72.35 -26.35 61.89 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.097 -0.641 . . . . 88.91 111.549 174.292 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . . . -88.67 -20.39 7.28 Favored 'Isoleucine or valine' 0 C--O 1.239 0.512 0 N-CA-C 113.545 0.943 . . . . 75.08 113.545 -179.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 52' ' ' TYR . . . . . . . . . . . . . . . -110.92 1.25 17.45 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 118.594 0.634 . . . . 72.86 112.618 176.715 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 53' ' ' ARG . . . . . . . . . . . . . . . -104.14 -7.56 20.08 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 112.369 0.507 . . . . 82.92 112.369 170.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 54' ' ' PHE . . . . . . . . . . . . . . . -101.23 -8.73 21.91 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 112.722 0.638 . . . . 87.85 112.722 173.773 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 55' ' ' PHE . . . . . . . . . . . . . . . -113.39 27.28 9.71 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 123.142 0.577 . . . . 88.84 111.676 176.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 56' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.725 0.297 . . . . 89.92 110.804 -179.784 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 23' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.729 0.3 . . . . 82.32 111.14 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 24' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' F' ' 24' ' ' ASP . 6.8 p-10 -65.35 162.42 41.3 Favored Pre-proline 0 N--CA 1.452 -0.374 0 CA-C-N 116.134 -0.484 . . . . 85.59 110.326 178.593 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -55.5 -34.34 89.24 Favored 'Trans proline' 0 C--O 1.237 0.438 0 N-CA-C 113.519 0.546 . . . . 76.14 113.519 179.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 26' ' ' LEU . . . . . . . . . . . . . 22.7 tp -60.6 -44.48 96.23 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.186 -0.606 . . . . 74.12 111.123 175.215 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.53 -39.2 85.06 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.393 -0.523 . . . . 71.08 111.472 -179.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 28' ' ' VAL . . . . . . . . . . . . . 69.8 t -63.68 -46.39 94.82 Favored 'Isoleucine or valine' 0 C--O 1.241 0.624 0 CA-C-O 121.282 0.563 . . . . 75.3 110.384 178.831 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.31 -42.07 98.05 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 120.72 -0.392 . . . . 69.74 111.076 177.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.56 -37.68 88.26 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 120.411 -0.516 . . . . 58.9 111.418 179.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 31' ' ' SER . . . . . . . . . . . . . 60.9 m -68.47 -46.77 68.86 Favored 'General case' 0 C--O 1.24 0.602 0 C-N-CA 120.5 -0.48 . . . . 60.17 111.041 -179.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 79.7 mt -59.68 -40.62 82.79 Favored 'Isoleucine or valine' 0 C--O 1.239 0.512 0 C-N-CA 120.187 -0.605 . . . . 58.91 110.245 176.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 mp -67.15 -36.73 77.68 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 O-C-N 122.092 -0.38 . . . . 53.91 110.668 -179.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.16 -40.57 92.61 Favored Glycine 0 C--N 1.333 0.388 0 C-N-CA 119.978 -1.106 . . . . 48.19 112.4 177.292 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 35' ' ' ILE . . . . . . . . . . . . . 83.7 mt -62.63 -47.42 93.03 Favored 'Isoleucine or valine' 0 C--O 1.241 0.632 0 CA-C-O 121.291 0.567 . . . . 54.81 110.303 176.47 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 36' ' ' LEU . . . . . . . . . . . . . 32.9 tp -63.47 -34.05 76.92 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 120.26 -0.576 . . . . 52.39 111.373 178.958 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 37' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -66.63 -43.29 85.08 Favored 'General case' 0 C--O 1.236 0.374 0 O-C-N 122.312 -0.243 . . . . 58.55 111.018 178.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 38' ' ' LEU . . . . . 0.59 HD22 HG13 ' E' ' 33' ' ' ILE . 5.6 tp -62.36 -43.09 99.64 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 119.248 -0.981 . . . . 53.69 110.976 176.009 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 39' ' ' ILE . . . . . . . . . . . . . 44.1 mm -61.59 -47.6 92.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.563 0 C-N-CA 120.223 -0.591 . . . . 53.62 110.574 -179.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 40' ' ' LEU . . . . . . . . . . . . . 12.1 mt -63.36 -46.53 86.12 Favored 'General case' 0 C--O 1.236 0.368 0 O-C-N 121.997 -0.439 . . . . 54.37 111.291 -178.506 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 41' ' ' TRP . . . . . . . . . . . . . 89.6 t90 -67.29 -31.61 72.04 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.09 -0.644 . . . . 55.74 111.103 -178.155 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 42' ' ' ILE . . . . . . . . . . . . . 3.9 mm -68.85 -43.72 82.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 C-N-CA 120.632 -0.427 . . . . 56.59 110.393 176.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 43' ' ' LEU . . . . . . . . . . . . . 8.5 mp -59.26 -42.97 92.44 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 119.85 -0.74 . . . . 55.41 110.878 174.402 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 44' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -61.19 -45.64 93.75 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 120.812 0.339 . . . . 59.57 111.299 179.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 45' ' ' ARG . . . . . 0.791 HH12 HH21 ' G' ' 45' ' ' ARG . 4.8 mmm180 -72.36 -35.77 68.6 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 120.179 -0.608 . . . . 66.1 111.43 -176.118 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 46' ' ' LEU . . . . . 0.429 ' HA ' ' HG2' ' F' ' 49' ' ' LYS . 4.0 pp -68.03 -39.01 83.2 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 119.124 -1.03 . . . . 74.75 110.721 176.995 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 47' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -59.34 -47.95 83.48 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 120.718 -0.393 . . . . 68.49 110.961 173.659 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 48' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -65.52 -41.34 93.25 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.602 -0.439 . . . . 72.18 111.748 -177.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 49' ' ' LYS . . . . . 0.429 ' HG2' ' HA ' ' F' ' 46' ' ' LEU . 16.7 ptpt -75.13 -28.19 60.07 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 119.809 -0.756 . . . . 82.64 111.709 -178.171 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 50' ' ' SER . . . . . . . . . . . . . 97.3 p -73.31 -32.15 64.44 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 119.981 -0.688 . . . . 101.33 111.289 173.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . . . -70.98 -45.47 72.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 C-N-CA 120.061 -0.655 . . . . 82.98 110.458 175.598 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 52' ' ' TYR . . . . . . . . . . . . . . . -74.32 -11.94 60.4 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 112.929 0.714 . . . . 72.2 112.929 179.007 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 53' ' ' ARG . . . . . . . . . . . . . . . -96.82 -2.81 43.33 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 118.354 0.525 . . . . 82.64 112.318 174.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 54' ' ' PHE . . . . . . . . . . . . . . . -112.41 -15.32 13.14 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 113.452 0.908 . . . . 87.37 113.452 176.105 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 55' ' ' PHE . . . . . . . . . . . . . . . -119.98 20.2 12.19 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 118.364 0.529 . . . . 71.71 111.828 176.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 56' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.888 0.375 . . . . 60.75 110.844 179.525 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 23' ' ' SER . . . . . . . . . . . . . 91.6 p . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.755 0.312 . . . . 63.88 111.021 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 24' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' G' ' 24' ' ' ASP . 3.5 p-10 -71.1 149.39 94.56 Favored Pre-proline 0 C--O 1.236 0.383 0 CA-C-N 116.2 -0.454 . . . . 80.87 110.548 -179.968 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' G' G ' 25' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -61.88 -30.7 84.38 Favored 'Trans proline' 0 CA--C 1.515 -0.451 0 N-CA-C 113.161 0.408 . . . . 76.45 113.161 179.127 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 tt -59.42 -49.24 78.57 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 118.155 0.434 . . . . 66.09 110.602 174.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.13 -34.19 75.89 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 120.624 -0.431 . . . . 64.34 111.831 179.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 28' ' ' VAL . . . . . . . . . . . . . 43.3 t -64.7 -45.77 94.27 Favored 'Isoleucine or valine' 0 C--O 1.241 0.619 0 CA-C-O 121.296 0.57 . . . . 62.72 110.433 177.648 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.7 -40.02 95.82 Favored 'General case' 0 C--O 1.233 0.236 0 O-C-N 122.055 -0.403 . . . . 57.91 111.103 176.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.31 -36.0 82.7 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 120.201 -0.6 . . . . 56.37 111.284 177.84 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 31' ' ' SER . . . . . . . . . . . . . 49.3 m -65.44 -49.66 68.33 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.006 0.431 . . . . 60.1 110.963 177.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 69.3 mt -61.25 -36.25 71.51 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 C-N-CA 120.174 -0.61 . . . . 56.46 110.45 178.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 33' ' ' ILE . . . . . 0.457 HD12 HG12 ' H' ' 35' ' ' ILE . 4.0 mt -68.15 -39.11 80.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 O-C-N 121.889 -0.507 . . . . 49.59 110.864 179.144 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' G' G ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.66 -39.97 97.13 Favored Glycine 0 C--N 1.333 0.397 0 C-N-CA 119.813 -1.184 . . . . 50.42 112.423 176.479 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 35' ' ' ILE . . . . . . . . . . . . . 78.2 mt -64.36 -48.45 85.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 C-N-CA 120.354 -0.539 . . . . 53.24 110.363 177.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tp -61.39 -33.35 73.52 Favored 'General case' 0 C--O 1.232 0.176 0 O-C-N 121.892 -0.505 . . . . 51.62 111.51 177.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 37' ' ' HIS . . . . . . . . . . . . . 19.5 t-160 -65.05 -48.05 75.2 Favored 'General case' 0 C--O 1.236 0.367 0 O-C-N 122.259 -0.276 . . . . 58.52 110.752 178.277 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 38' ' ' LEU . . . . . . . . . . . . . 3.5 tp -59.52 -42.47 92.32 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 119.891 -0.724 . . . . 49.59 111.224 176.028 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.53 -49.95 80.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 CA-C-O 121.29 0.567 . . . . 49.29 110.591 -177.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 40' ' ' LEU . . . . . . . . . . . . . 24.6 mt -64.52 -36.33 83.85 Favored 'General case' 0 C--O 1.234 0.26 0 O-C-N 121.946 -0.471 . . . . 52.07 111.163 -178.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 41' ' ' TRP . . . . . . . . . . . . . 77.7 t90 -70.78 -37.89 73.38 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 119.289 -0.964 . . . . 58.0 111.279 -179.024 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 42' ' ' ILE . . . . . . . . . . . . . 41.3 pt -72.01 -35.38 53.74 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 C-N-CA 118.112 -1.435 . . . . 58.17 110.42 178.749 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -62.47 -48.75 78.24 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 119.628 -0.829 . . . . 56.81 110.944 173.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 44' ' ' ASP . . . . . 0.402 ' CG ' ' HD2' ' H' ' 45' ' ' ARG . 2.9 t70 -54.26 -54.6 37.87 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.867 0.365 . . . . 62.59 111.605 177.06 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' G' G ' 45' ' ' ARG . . . . . 0.791 HH21 HH12 ' F' ' 45' ' ' ARG . 0.7 OUTLIER -72.61 -25.58 61.36 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 119.691 -0.804 . . . . 70.38 111.832 -173.896 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' G' G ' 46' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -67.88 -48.44 66.07 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 119.922 -0.711 . . . . 76.45 110.56 172.889 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 47' ' ' PHE . . . . . . . . . . . . . 16.2 m-30 -60.8 -39.92 90.73 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 119.88 -0.728 . . . . 78.06 111.197 177.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 48' ' ' PHE . . . . . 0.461 ' HA ' HG12 ' G' ' 51' ' ' ILE . 5.6 m-85 -74.16 -39.25 63.37 Favored 'General case' 0 C--O 1.233 0.207 0 O-C-N 122.046 -0.409 . . . . 81.88 111.989 -176.462 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' G' G ' 49' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -71.17 -22.13 62.07 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 121.704 -0.622 . . . . 89.5 112.031 174.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 50' ' ' SER . . . . . . . . . . . . . 97.3 p -79.77 -35.35 38.78 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.261 -0.576 . . . . 98.57 111.325 175.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 51' ' ' ILE . . . . . 0.461 HG12 ' HA ' ' G' ' 48' ' ' PHE . 32.7 pt -79.13 -24.69 12.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 119.509 -0.877 . . . . 92.71 111.065 176.164 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' G' G ' 52' ' ' TYR . . . . . . . . . . . . . . . -91.08 -4.08 56.6 Favored 'General case' 0 C--O 1.235 0.326 0 O-C-N 121.62 -0.675 . . . . 90.13 112.444 173.605 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 53' ' ' ARG . . . . . . . . . . . . . . . -102.75 -14.17 16.75 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 112.265 0.469 . . . . 112.14 112.265 167.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 54' ' ' PHE . . . . . . . . . . . . . . . -89.53 -17.55 28.38 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 112.727 0.639 . . . . 115.48 112.727 172.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 55' ' ' PHE . . . . . . . . . . . . . . . -99.08 24.02 8.35 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 123.079 0.551 . . . . 90.97 112.102 174.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 56' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 82.87 110.781 179.971 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 23' ' ' SER . . . . . . . . . . . . . 41.8 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.651 0.262 . . . . 61.64 110.964 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 24' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -58.79 117.09 18.18 Favored Pre-proline 0 C--O 1.24 0.585 0 CA-C-N 115.953 -0.567 . . . . 65.55 110.025 176.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 25' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -57.5 -33.72 96.88 Favored 'Trans proline' 0 CA--C 1.515 -0.444 0 CA-C-N 119.089 0.71 . . . . 71.37 113.225 -179.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 26' ' ' LEU . . . . . . . . . . . . . 1.5 mt -56.68 -57.32 12.93 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.036 0.446 . . . . 60.66 110.809 176.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.74 -34.9 79.43 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.762 -0.375 . . . . 62.17 111.792 -178.871 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 28' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.75 -51.43 67.28 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 CA-C-O 121.098 0.475 . . . . 58.69 110.445 -179.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.96 -39.33 93.9 Favored 'General case' 0 C--O 1.236 0.368 0 O-C-N 121.936 -0.477 . . . . 58.0 111.348 179.472 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.53 -39.15 93.68 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 120.117 -0.633 . . . . 53.26 111.25 178.292 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 31' ' ' SER . . . . . 0.407 ' O ' HG13 ' H' ' 35' ' ' ILE . 24.1 m -67.62 -43.81 79.52 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 120.766 -0.374 . . . . 56.96 111.258 179.258 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 52.2 mt -62.86 -42.99 98.52 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 C-N-CA 120.209 -0.596 . . . . 51.15 110.437 179.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 33' ' ' ILE . . . . . 0.617 HD12 HG13 ' E' ' 35' ' ' ILE . 3.1 mt -65.94 -36.21 76.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 O-C-N 121.914 -0.491 . . . . 47.04 110.914 178.078 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.75 -43.15 98.19 Favored Glycine 0 C--N 1.332 0.341 0 C-N-CA 119.862 -1.161 . . . . 55.95 112.673 176.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 35' ' ' ILE . . . . . 0.457 HG12 HD12 ' G' ' 33' ' ' ILE . 61.1 mt -64.88 -45.93 93.35 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 O-C-N 122.215 -0.58 . . . . 53.09 110.568 178.14 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -62.98 -36.56 83.91 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.074 -0.651 . . . . 45.7 111.113 178.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 37' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -66.52 -43.69 84.54 Favored 'General case' 0 CA--C 1.518 -0.276 0 O-C-N 122.19 -0.319 . . . . 57.72 110.917 179.364 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 38' ' ' LEU . . . . . 0.452 HD22 HG23 ' G' ' 33' ' ' ILE . 63.3 tp -62.72 -40.97 98.85 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 119.463 -0.895 . . . . 53.1 111.096 176.705 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 39' ' ' ILE . . . . . . . . . . . . . 27.2 mm -63.69 -49.45 82.16 Favored 'Isoleucine or valine' 0 C--O 1.242 0.699 0 CA-C-O 121.24 0.543 . . . . 52.61 110.651 -179.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 40' ' ' LEU . . . . . . . . . . . . . 9.4 mt -65.03 -37.38 87.41 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 120.286 -0.565 . . . . 51.43 111.397 -179.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 41' ' ' TRP . . . . . . . . . . . . . 67.1 t90 -66.66 -37.97 85.88 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 120.284 -0.567 . . . . 56.09 111.142 177.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 42' ' ' ILE . . . . . . . . . . . . . 3.4 mm -65.77 -43.74 93.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 C-N-CA 120.579 -0.448 . . . . 64.2 110.586 178.932 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 43' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.14 -34.06 68.24 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 118.31 -1.356 . . . . 56.41 111.688 179.903 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -61.63 -44.47 96.93 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.922 -0.311 . . . . 58.55 110.689 174.26 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 45' ' ' ARG . . . . . 0.402 ' HD2' ' CG ' ' G' ' 44' ' ' ASP . 11.0 mmp_? -71.21 -29.89 65.7 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 120.276 -0.57 . . . . 69.05 111.727 179.726 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 46' ' ' LEU . . . . . . . . . . . . . 3.0 mp -64.53 -45.12 88.55 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 119.858 -0.737 . . . . 65.91 110.868 172.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 47' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -62.41 -42.85 99.75 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.52 -0.472 . . . . 69.6 111.287 176.828 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 48' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -69.83 -33.01 71.73 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 119.948 -0.701 . . . . 74.58 111.762 -179.181 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 49' ' ' LYS . . . . . . . . . . . . . 24.3 tttp -67.2 -43.37 82.27 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 118.056 0.389 . . . . 89.22 111.101 174.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 50' ' ' SER . . . . . . . . . . . . . 98.1 p -70.15 -24.35 63.15 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.05 -0.66 . . . . 100.37 111.687 178.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 51' ' ' ILE . . . . . . . . . . . . . . . -88.5 -29.81 5.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 N-CA-C 112.472 0.545 . . . . 101.73 112.472 -179.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 52' ' ' TYR . . . . . . . . . . . . . . . -103.42 11.36 36.59 Favored 'General case' 0 C--O 1.235 0.312 0 O-C-N 121.851 -0.531 . . . . 88.22 112.244 177.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 53' ' ' ARG . . . . . . . . . . . . . . . -92.61 -11.76 33.45 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 112.421 0.526 . . . . 110.76 112.421 170.204 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 54' ' ' PHE . . . . . . . . . . . . . . . -87.73 -24.75 23.74 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 112.48 0.548 . . . . 110.65 112.48 177.044 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 55' ' ' PHE . . . . . . . . . . . . . . . -78.74 -34.39 45.82 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 112.295 0.48 . . . . 119.26 112.295 179.382 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 56' ' ' GLU . . . . . . . . . . . . . . . -84.3 -58.77 2.61 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.689 -0.405 . . . . 105.14 111.438 -177.6 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 57' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 O-C-N 122.08 -0.387 . . . . 92.67 111.223 -178.755 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 101' ' ' E01 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 101' ' ' E01 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_