data_5gzb_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 5gzb _Structure_validation_residue.Date_analyzed 2017-04-14 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 ' 42' ' ' VAL . . . . . . . . . . . . . 46.4 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.982 0.42 . . . . 101.58 110.218 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -121.76 49.43 1.55 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.467 0.651 . . . . 91.63 109.295 172.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.4 m -51.46 151.94 5.03 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 114.436 -1.257 . . . . 100.66 111.72 178.351 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -46.62 -35.4 16.92 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 123.768 2.979 . . . . 108.32 114.581 -176.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -76.29 -49.48 16.87 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.258 0.349 . . . . 116.02 111.203 178.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.4 mp -62.0 -39.78 84.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 109.381 -0.6 . . . . 94.37 109.381 175.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 44' ' ' SER . 39.6 tp10 -63.7 -37.32 86.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.916 -0.584 . . . . 81.95 111.143 176.676 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -61.22 -54.55 42.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 114.19 110.712 178.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 34.4 p -64.55 -30.36 71.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 86.63 111.67 -178.331 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -65.43 -45.86 82.19 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.808 -0.442 . . . . 74.19 109.808 175.055 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 76.4 mm-40 -62.31 -33.53 74.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.003 -0.544 . . . . 80.73 110.173 175.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -65.87 -43.89 86.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.943 -0.571 . . . . 102.89 110.797 175.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.61 -41.21 89.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 76.11 111.367 178.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 67.0 mt -60.49 -32.38 71.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.362 -0.381 . . . . 75.94 111.691 -179.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.79 -29.21 29.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.997 -0.547 . . . . 74.38 110.349 178.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 54.1 mt -79.05 -47.12 23.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.67 -0.696 . . . . 77.5 111.556 -178.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -107.08 97.73 19.27 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.459 -0.337 . . . . 75.6 110.808 177.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -59.75 148.86 86.28 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.647 2.231 . . . . 74.09 112.407 179.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -55.51 146.0 66.03 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 123.623 2.882 . . . . 73.29 113.346 -177.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.7 m -78.24 153.31 32.0 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 113.308 0.855 . . . . 99.59 113.308 -176.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -85.04 -139.29 4.62 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 109.278 -1.529 . . . . 86.34 109.278 170.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 55.6 ttm-85 -72.56 -34.98 67.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 117.024 0.412 . . . . 139.64 111.226 179.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -78.84 118.61 21.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.955 0.407 . . . . 82.03 110.318 178.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -106.18 -5.61 19.16 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.691 0.626 . . . . 77.6 112.691 -171.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -130.77 137.95 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 113.024 0.749 . . . . 78.42 113.024 -169.52 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 75' ' ' TYR . 7.4 tp -142.56 145.51 23.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-N 115.884 -0.598 . . . . 78.93 110.859 178.953 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.7 mp -106.52 134.89 48.97 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.129 0.418 . . . . 72.22 112.129 -178.043 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 62.2 p -72.75 173.3 9.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 81.99 110.165 174.017 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.0 p-10 -67.81 -18.64 64.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.62 0.247 . . . . 83.03 111.541 -179.118 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -92.98 -11.41 33.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.492 -0.322 . . . . 137.49 111.214 176.144 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.63 3.36 49.84 Favored Glycine 0 N--CA 1.452 -0.241 0 N-CA-C 115.067 0.787 . . . . 74.36 115.067 172.338 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 54.1 tttp -74.64 134.76 42.0 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.498 -0.927 . . . . 94.61 108.498 178.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' MSE . . . . . . . . . . . . . 67.1 ttp -92.37 130.96 37.92 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 119.593 -0.843 . . . . 109.85 112.001 -170.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' TYR . . . . . 0.428 ' N ' ' O ' ' A' ' 67' ' ' ILE . 4.9 m-30 -116.57 138.92 51.05 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 115.879 1.807 . . . . 114.33 115.879 -169.155 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -120.79 167.63 13.94 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 110.441 -1.064 . . . . 76.55 110.441 171.455 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 73.8 ttt-85 -67.11 -44.7 79.27 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.207 0.447 . . . . 77.55 112.207 -176.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -65.09 -33.19 75.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.874 0.368 . . . . 70.82 111.232 179.761 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -64.81 -45.17 87.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.03 -0.532 . . . . 103.87 110.542 177.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 54.9 mt -61.87 -44.06 97.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.957 -0.565 . . . . 78.14 110.698 175.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 47.0 mt -57.85 -50.09 78.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.642 -0.708 . . . . 72.4 110.478 178.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.0 -43.15 86.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.98 -0.555 . . . . 77.33 110.742 177.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 28.8 ttt-85 -58.11 -46.43 85.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.522 -0.763 . . . . 103.07 111.272 176.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -66.08 -32.08 73.34 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.246 0.461 . . . . 79.01 112.246 -177.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 20.4 mm -55.17 -56.66 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.582 -0.525 . . . . 87.19 109.582 175.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -55.9 -36.88 68.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.499 -0.773 . . . . 98.96 111.937 179.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.4 mp -61.97 -43.53 98.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.394 -0.366 . . . . 104.65 111.642 179.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -98.27 -43.05 7.12 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.786 0.662 . . . . 151.72 112.786 -175.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . . . -79.64 -52.44 7.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.003 0.43 . . . . 97.62 110.79 179.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 106.78 -17.91 38.17 Favored Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 110.328 -1.109 . . . . 95.52 110.328 -174.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . . . -84.43 159.34 20.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.981 0.42 . . . . 89.08 112.093 -177.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 97.3 m -96.35 123.93 40.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.938 -0.574 . . . . 105.49 111.653 -179.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 70.0 mmt-85 -129.22 115.91 18.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.016 -0.538 . . . . 103.89 109.92 176.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.0 m -62.19 144.0 56.03 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.598 0.592 . . . . 92.55 112.598 -174.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 37.8 ttp85 -42.02 -36.13 1.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.767 -1.106 . . . . 77.09 113.23 170.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -85.94 -27.95 24.6 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.338 0.496 . . . . 79.77 112.338 -179.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -62.78 -39.68 94.94 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.615 -0.513 . . . . 97.36 109.615 174.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 54.6 t -64.01 -48.74 84.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.613 -0.721 . . . . 78.45 110.658 177.831 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 95.0 p -58.22 -35.39 71.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.047 -0.524 . . . . 75.83 111.557 -179.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' SER . . . . . 0.456 ' OG ' ' N7 ' ' B' ' 5' ' ' ' DA' . 26.2 t -66.98 -40.32 87.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 84.67 110.808 177.935 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -69.59 -44.37 70.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.9 -0.591 . . . . 92.66 111.422 -179.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.5 mm -52.38 -36.35 21.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-O 121.392 0.615 . . . . 79.56 110.163 175.173 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -70.35 -48.6 55.65 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.102 -0.954 . . . . 69.54 112.291 -177.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 10.7 m -67.4 -31.6 53.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 120.81 -0.356 . . . . 83.87 111.506 -175.279 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.0 mt -68.29 -36.99 80.19 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.96 -0.756 . . . . 83.36 108.96 177.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.64 -39.56 88.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.781 -0.645 . . . . 74.29 110.094 176.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -60.45 -51.8 67.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.154 -0.476 . . . . 82.24 110.968 177.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -54.56 -55.56 27.96 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.942 -0.572 . . . . 97.51 112.495 -178.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -62.4 -29.77 70.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.503 . . . . 112.01 110.49 -177.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -71.04 -24.45 62.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 92.71 111.153 176.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 33.7 mtm180 -84.93 -53.35 5.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 103.64 111.421 177.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . . . -50.91 -31.84 18.78 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 112.681 0.623 . . . . 112.77 112.681 -178.001 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.5 pp -78.87 -31.71 15.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 112.8 0.667 . . . . 112.14 112.8 -178.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -93.15 -30.61 15.15 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.973 0.416 . . . . 119.58 110.236 -175.034 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.21 -24.07 67.01 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.806 -0.634 . . . . 108.92 109.651 172.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . . . -82.47 -32.53 28.83 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.893 -0.594 . . . . 108.88 110.185 171.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . . . -81.23 -1.23 44.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.413 -0.358 . . . . 111.09 111.211 178.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . . . -116.27 -27.56 6.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.27 -0.423 . . . . 110.36 111.052 179.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . . . -68.01 -22.38 64.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.26 -0.427 . . . . 122.36 111.135 179.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -105.37 -25.08 12.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.344 -0.389 . . . . 135.69 110.96 179.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.16 -24.0 66.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 117.25 111.049 178.666 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -84.03 -31.48 25.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.426 . . . . 113.37 110.511 176.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 37.2 mttm -75.36 -31.19 60.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 113.43 110.455 177.456 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -75.32 -36.7 61.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.025 -0.534 . . . . 116.91 110.527 177.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 52.5 tttm -67.84 -40.99 83.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.035 -0.529 . . . . 115.9 111.415 -178.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.13 -55.12 32.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.066 -0.515 . . . . 113.18 111.522 -179.296 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.0 mp -56.41 -31.73 64.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.06 -0.518 . . . . 118.36 112.216 -179.849 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . . . -81.61 -43.36 18.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.349 -0.387 . . . . 115.67 111.731 -179.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 11.7 t -64.61 -26.48 68.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.202 0.525 . . . . 116.33 111.013 178.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' MSE . . . . . . . . . . . . . 3.0 ttm -89.73 -32.33 17.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.562 -0.745 . . . . 145.58 110.94 -178.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -66.15 -16.84 64.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.498 -0.319 . . . . 132.92 111.214 177.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 124.65 110.908 177.169 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ' DT' . . . . . 0.624 ' N3 ' ' N1 ' ' C' ' 13' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.517 -1.108 0 C4'-C3'-C2' 101.607 -1.593 . . . . 109.01 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' ' DT' . . . . . 0.496 ' N3 ' ' N1 ' ' C' ' 12' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.521 1.26 0 C3'-C2'-C1' 100.165 -1.811 . . . . 105.35 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ' DG' . . . . . 0.401 ' N2 ' ' O2 ' ' C' ' 11' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.522 1.369 0 P-O3'-C3' 120.843 0.953 . . . . 99.99 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ' DC' . . . . . 0.429 ' O2 ' ' N2 ' ' C' ' 10' ' ' ' DG' . . . . . . . . 0 C4'--C3' 1.511 -1.662 0 O4'-C1'-N19 109.897 2.622 . . . . 106.64 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ' DA' . . . . . 0.456 ' N7 ' ' OG ' ' A' ' 100' ' ' SER . . . . . . . . 0 C3'--C2' 1.536 1.81 0 C4'-C3'-C2' 104.842 1.642 . . . . 95.71 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.546 2.817 0 C1'-O4'-C4' 108.037 -1.188 . . . . 101.23 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.404 -2.265 0 P-O3'-C3' 122.144 2.037 . . . . 116.32 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.531 1.348 0 O4'-C4'-C3' 106.625 1.025 . . . . 112.69 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.543 2.509 0 C4'-C3'-C2' 104.749 1.549 . . . . 104.91 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.401 -1.471 0 C3'-C2'-C1' 99.843 -2.041 . . . . 95.4 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.412 ' N3 ' ' N1 ' ' C' ' 3' ' ' ' DG' . . . . . . . . 0 C4'--C3' 1.512 -1.557 0 O4'-C4'-C3' 103.363 -2.237 . . . . 103.21 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.416 -1.191 0 O4'-C4'-C3' 106.261 0.661 . . . . 83.04 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.019 0 O4'-C1'-N19 109.116 1.644 . . . . 78.43 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.518 0.902 0 C4'-C3'-C2' 101.738 -1.462 . . . . 79.52 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.416 -1.131 0 C3'-C2'-C1' 101.45 -0.893 . . . . 93.13 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' ' DG' . . . . . 0.412 ' N1 ' ' N3 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.547 2.866 0 O4'-C1'-N19 110.134 2.918 . . . . 82.08 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.512 -1.583 0 O4'-C1'-C2' 107.626 1.388 . . . . 71.78 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.41 -1.88 0 O5'-P-OP2 104.755 -1.313 . . . . 63.22 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.416 -1.497 0 O4'-C1'-N19 109.491 2.114 . . . . 78.11 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.112 0 P-O3'-C3' 121.251 1.293 . . . . 86.96 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.509 -1.916 0 C4'-C3'-C2' 100.832 -2.368 . . . . 89.42 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.415 -1.582 0 O4'-C1'-N19 108.572 0.964 . . . . 106.25 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' ' DG' . . . . . 0.429 ' N2 ' ' O2 ' ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.419 -1.328 0 P-O5'-C5' 119.722 -0.736 . . . . 122.52 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' ' DC' . . . . . 0.401 ' O2 ' ' N2 ' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.528 1.007 0 O4'-C1'-N19 108.661 1.076 . . . . 154.21 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' ' DA' . . . . . 0.496 ' N1 ' ' N3 ' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.422 -1.124 0 C4'-C3'-C2' 101.563 -1.637 . . . . 155.13 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' ' DA' . . . . . 0.624 ' N1 ' ' N3 ' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C4'--C3' 1.517 -1.095 0 C4'-C3'-C2' 101.949 -1.251 . . . . 136.76 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 101' ' ' PO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.4 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.982 0.42 . . . . 101.58 110.218 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 43' ' ' TRP . . . . . 0.427 ' CD2' ' CD2' ' A' ' 101' ' ' HIS . 83.6 m95 -121.76 49.43 1.55 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.467 0.651 . . . . 91.63 109.295 172.247 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m -51.46 151.94 5.03 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 114.436 -1.257 . . . . 100.66 111.72 178.351 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -46.62 -35.4 16.92 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 123.768 2.979 . . . . 108.32 114.581 -176.41 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -76.29 -49.48 16.87 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.258 0.349 . . . . 116.02 111.203 178.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.4 mp -62.0 -39.78 84.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 109.381 -0.6 . . . . 94.37 109.381 175.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -63.7 -37.32 86.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.916 -0.584 . . . . 81.95 111.143 176.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLN . . . . . 0.404 ' O ' ' HG3' ' A' ' 53' ' ' GLU . 3.7 tp-100 -61.22 -54.55 42.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 114.19 110.712 178.412 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 34.4 p -64.55 -30.36 71.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 86.63 111.67 -178.331 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -65.43 -45.86 82.19 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.808 -0.442 . . . . 74.19 109.808 175.055 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 76.4 mm-40 -62.31 -33.53 74.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.003 -0.544 . . . . 80.73 110.173 175.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLU . . . . . 0.439 ' OE2' ' HD3' ' A' ' 88' ' ' ARG . 67.1 mt-10 -65.87 -43.89 86.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.943 -0.571 . . . . 102.89 110.797 175.954 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.61 -41.21 89.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 76.11 111.367 178.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 67.0 mt -60.49 -32.38 71.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.362 -0.381 . . . . 75.94 111.691 -179.066 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.79 -29.21 29.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.997 -0.547 . . . . 74.38 110.349 178.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 54.1 mt -79.05 -47.12 23.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.67 -0.696 . . . . 77.5 111.556 -178.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -107.08 97.73 19.27 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.459 -0.337 . . . . 75.6 110.808 177.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -59.75 148.86 86.28 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.647 2.231 . . . . 74.09 112.407 179.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -55.51 146.0 66.03 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 123.623 2.882 . . . . 73.29 113.346 -177.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.7 m -78.24 153.31 32.0 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 113.308 0.855 . . . . 99.59 113.308 -176.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -85.04 -139.29 4.62 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 109.278 -1.529 . . . . 86.34 109.278 170.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 55.6 ttm-85 -72.56 -34.98 67.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 117.024 0.412 . . . . 139.64 111.226 179.363 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -78.84 118.61 21.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.955 0.407 . . . . 82.03 110.318 178.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -106.18 -5.61 19.16 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.691 0.626 . . . . 77.6 112.691 -171.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ILE . . . . . 0.466 HD12 ' HG2' ' A' ' 74' ' ' MSE . 1.0 OUTLIER -130.77 137.95 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 113.024 0.749 . . . . 78.42 113.024 -169.52 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 7.4 tp -142.56 145.51 23.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-N 115.884 -0.598 . . . . 78.93 110.859 178.953 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.7 mp -106.52 134.89 48.97 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.129 0.418 . . . . 72.22 112.129 -178.043 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 62.2 p -72.75 173.3 9.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 81.99 110.165 174.017 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.0 p-10 -67.81 -18.64 64.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.62 0.247 . . . . 83.03 111.541 -179.118 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -92.98 -11.41 33.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.492 -0.322 . . . . 137.49 111.214 176.144 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.63 3.36 49.84 Favored Glycine 0 N--CA 1.452 -0.241 0 N-CA-C 115.067 0.787 . . . . 74.36 115.067 172.338 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 54.1 tttp -74.64 134.76 42.0 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.498 -0.927 . . . . 94.61 108.498 178.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' MSE . . . . . 0.466 ' HG2' HD12 ' A' ' 66' ' ' ILE . 67.1 ttp -92.37 130.96 37.92 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 119.593 -0.843 . . . . 109.85 112.001 -170.194 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -116.57 138.92 51.05 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 115.879 1.807 . . . . 114.33 115.879 -169.155 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -120.79 167.63 13.94 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 110.441 -1.064 . . . . 76.55 110.441 171.455 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 73.8 ttt-85 -67.11 -44.7 79.27 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.207 0.447 . . . . 77.55 112.207 -176.68 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -65.09 -33.19 75.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.874 0.368 . . . . 70.82 111.232 179.761 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -64.81 -45.17 87.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.03 -0.532 . . . . 103.87 110.542 177.121 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 54.9 mt -61.87 -44.06 97.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.957 -0.565 . . . . 78.14 110.698 175.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 47.0 mt -57.85 -50.09 78.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.642 -0.708 . . . . 72.4 110.478 178.203 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.0 -43.15 86.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.98 -0.555 . . . . 77.33 110.742 177.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 28.8 ttt-85 -58.11 -46.43 85.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.522 -0.763 . . . . 103.07 111.272 176.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -66.08 -32.08 73.34 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.246 0.461 . . . . 79.01 112.246 -177.853 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 20.4 mm -55.17 -56.66 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.582 -0.525 . . . . 87.19 109.582 175.198 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -55.9 -36.88 68.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.499 -0.773 . . . . 98.96 111.937 179.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.4 mp -61.97 -43.53 98.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.394 -0.366 . . . . 104.65 111.642 179.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ARG . . . . . 0.439 ' HD3' ' OE2' ' A' ' 53' ' ' GLU . 2.2 ttt180 -98.27 -43.05 7.12 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.786 0.662 . . . . 151.72 112.786 -175.116 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . . . -79.64 -52.44 7.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.003 0.43 . . . . 97.62 110.79 179.113 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 106.78 -17.91 38.17 Favored Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 110.328 -1.109 . . . . 95.52 110.328 -174.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . . . -84.43 159.34 20.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.981 0.42 . . . . 89.08 112.093 -177.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 97.3 m -96.35 123.93 40.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.938 -0.574 . . . . 105.49 111.653 -179.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 70.0 mmt-85 -129.22 115.91 18.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.016 -0.538 . . . . 103.89 109.92 176.242 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' THR . . . . . 0.523 HG22 ' H ' ' A' ' 96' ' ' LYS . 30.0 m -62.19 144.0 56.03 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.598 0.592 . . . . 92.55 112.598 -174.045 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 37.8 ttp85 -42.02 -36.13 1.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.767 -1.106 . . . . 77.09 113.23 170.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' LYS . . . . . 0.523 ' H ' HG22 ' A' ' 94' ' ' THR . 7.6 mmpt? -85.94 -27.95 24.6 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.338 0.496 . . . . 79.77 112.338 -179.113 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -62.78 -39.68 94.94 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.615 -0.513 . . . . 97.36 109.615 174.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 54.6 t -64.01 -48.74 84.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.613 -0.721 . . . . 78.45 110.658 177.831 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 95.0 p -58.22 -35.39 71.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.047 -0.524 . . . . 75.83 111.557 -179.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 26.2 t -66.98 -40.32 87.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 84.67 110.808 177.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HIS . . . . . 0.427 ' CD2' ' CD2' ' A' ' 43' ' ' TRP . 0.8 OUTLIER -69.59 -44.37 70.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.9 -0.591 . . . . 92.66 111.422 -179.316 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.5 mm -52.38 -36.35 21.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-O 121.392 0.615 . . . . 79.56 110.163 175.173 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' GLN . . . . . 0.402 ' O ' ' HG2' ' A' ' 107' ' ' ARG . 30.6 tt0 -70.35 -48.6 55.65 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.102 -0.954 . . . . 69.54 112.291 -177.345 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 10.7 m -67.4 -31.6 53.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 120.81 -0.356 . . . . 83.87 111.506 -175.279 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.0 mt -68.29 -36.99 80.19 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.96 -0.756 . . . . 83.36 108.96 177.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.64 -39.56 88.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.781 -0.645 . . . . 74.29 110.094 176.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 103' ' ' GLN . 33.8 mmt180 -60.45 -51.8 67.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.154 -0.476 . . . . 82.24 110.968 177.364 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -54.56 -55.56 27.96 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.942 -0.572 . . . . 97.51 112.495 -178.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -62.4 -29.77 70.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.503 . . . . 112.01 110.49 -177.389 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -71.04 -24.45 62.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 92.71 111.153 176.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 33.7 mtm180 -84.93 -53.35 5.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 103.64 111.421 177.853 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . . . -50.91 -31.84 18.78 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 112.681 0.623 . . . . 112.77 112.681 -178.001 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.5 pp -78.87 -31.71 15.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 112.8 0.667 . . . . 112.14 112.8 -178.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -93.15 -30.61 15.15 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.973 0.416 . . . . 119.58 110.236 -175.034 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.21 -24.07 67.01 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.806 -0.634 . . . . 108.92 109.651 172.02 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . . . -82.47 -32.53 28.83 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.893 -0.594 . . . . 108.88 110.185 171.673 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . . . -81.23 -1.23 44.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.413 -0.358 . . . . 111.09 111.211 178.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . . . -116.27 -27.56 6.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.27 -0.423 . . . . 110.36 111.052 179.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . . . -68.01 -22.38 64.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.26 -0.427 . . . . 122.36 111.135 179.297 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -105.37 -25.08 12.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.344 -0.389 . . . . 135.69 110.96 179.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.16 -24.0 66.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 117.25 111.049 178.666 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -84.03 -31.48 25.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.426 . . . . 113.37 110.511 176.836 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 37.2 mttm -75.36 -31.19 60.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 113.43 110.455 177.456 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -75.32 -36.7 61.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.025 -0.534 . . . . 116.91 110.527 177.565 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 52.5 tttm -67.84 -40.99 83.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.035 -0.529 . . . . 115.9 111.415 -178.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.13 -55.12 32.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.066 -0.515 . . . . 113.18 111.522 -179.296 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.0 mp -56.41 -31.73 64.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.06 -0.518 . . . . 118.36 112.216 -179.849 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . . . -81.61 -43.36 18.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.349 -0.387 . . . . 115.67 111.731 -179.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 11.7 t -64.61 -26.48 68.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.202 0.525 . . . . 116.33 111.013 178.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' MSE . . . . . . . . . . . . . 3.0 ttm -89.73 -32.33 17.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.562 -0.745 . . . . 145.58 110.94 -178.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -66.15 -16.84 64.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.498 -0.319 . . . . 132.92 111.214 177.915 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 124.65 110.908 177.169 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.517 -1.108 0 C4'-C3'-C2' 101.607 -1.593 . . . . 109.01 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' ' DT' . . . . . 0.401 ' N3 ' ' N1 ' ' C' ' 12' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.521 1.26 0 C3'-C2'-C1' 100.165 -1.811 . . . . 105.35 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.522 1.369 0 P-O3'-C3' 120.843 0.953 . . . . 99.99 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.511 -1.662 0 O4'-C1'-N19 109.897 2.622 . . . . 106.64 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.81 0 C4'-C3'-C2' 104.842 1.642 . . . . 95.71 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ' DT' . . . . . 0.46 H2'' " O5'" ' B' ' 7' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.546 2.817 0 C1'-O4'-C4' 108.037 -1.188 . . . . 101.23 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ' DT' . . . . . 0.46 " O5'" H2'' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.404 -2.265 0 P-O3'-C3' 122.144 2.037 . . . . 116.32 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.531 1.348 0 O4'-C4'-C3' 106.625 1.025 . . . . 112.69 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.543 2.509 0 C4'-C3'-C2' 104.749 1.549 . . . . 104.91 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.401 -1.471 0 C3'-C2'-C1' 99.843 -2.041 . . . . 95.4 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.512 -1.557 0 O4'-C4'-C3' 103.363 -2.237 . . . . 103.21 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.416 -1.191 0 O4'-C4'-C3' 106.261 0.661 . . . . 83.04 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.019 0 O4'-C1'-N19 109.116 1.644 . . . . 78.43 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.518 0.902 0 C4'-C3'-C2' 101.738 -1.462 . . . . 79.52 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.416 -1.131 0 C3'-C2'-C1' 101.45 -0.893 . . . . 93.13 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 3' ' ' ' DG' . . . . . 0.465 " H1'" ' HE1' ' A' ' 74' ' ' MSE . . . . . . . . 0 C3'--C2' 1.547 2.866 0 O4'-C1'-N19 110.134 2.918 . . . . 82.08 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.512 -1.583 0 O4'-C1'-C2' 107.626 1.388 . . . . 71.78 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.41 -1.88 0 O5'-P-OP2 104.755 -1.313 . . . . 63.22 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.416 -1.497 0 O4'-C1'-N19 109.491 2.114 . . . . 78.11 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 7' ' ' ' DA' . . . . . 0.456 " H1'" H5'' ' C' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.422 -1.112 0 P-O3'-C3' 121.251 1.293 . . . . 86.96 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' ' DA' . . . . . 0.801 H2'' H5'' ' C' ' 9' ' ' ' DT' . . . . . . . . 0 C4'--C3' 1.509 -1.916 0 C4'-C3'-C2' 100.832 -2.368 . . . . 89.42 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 9' ' ' ' DT' . . . . . 0.801 H5'' H2'' ' C' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.415 -1.582 0 O4'-C1'-N19 108.572 0.964 . . . . 106.25 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.419 -1.328 0 P-O5'-C5' 119.722 -0.736 . . . . 122.52 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 11' ' ' ' DC' . . . . . 0.45 H2'' ' C8 ' ' C' ' 12' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.528 1.007 0 O4'-C1'-N19 108.661 1.076 . . . . 154.21 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 12' ' ' ' DA' . . . . . 0.508 H2'' " H5'" ' C' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.422 -1.124 0 C4'-C3'-C2' 101.563 -1.637 . . . . 155.13 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 13' ' ' ' DA' . . . . . 0.508 " H5'" H2'' ' C' ' 12' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.517 -1.095 0 C4'-C3'-C2' 101.949 -1.251 . . . . 136.76 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 101' ' ' PO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.4 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.982 0.42 . . . . 101.58 110.218 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -121.76 49.43 1.55 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.467 0.651 . . . . 91.629999999999995 109.295 172.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m -51.46 151.94 5.03 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 114.436 -1.257 . . . . 100.66 111.72 178.351 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -46.62 -35.4 16.92 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 123.768 2.979 . . . . 108.31999999999999 114.581 -176.41 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -76.29 -49.48 16.87 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.258 0.349 . . . . 116.02 111.203 178.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.4 mp -62.0 -39.78 84.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 109.381 -0.6 . . . . 94.370000000000005 109.381 175.575 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.494 ' OE1' ' HE1' ' A' ' 101' ' ' HIS . 39.6 tp10 -63.7 -37.32 86.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.916 -0.584 . . . . 81.950000000000003 111.143 176.676 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.404 ' O ' ' HG3' ' A' ' 53' ' ' GLU . 3.7 tp-100 -61.22 -54.55 42.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 114.19 110.712 178.412 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 34.4 p -64.55 -30.36 71.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 86.629999999999995 111.67 -178.331 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -65.43 -45.86 82.19 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.808 -0.442 . . . . 74.189999999999998 109.808 175.055 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 76.4 mm-40 -62.31 -33.53 74.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.003 -0.544 . . . . 80.730000000000004 110.173 175.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.439 ' OE2' ' HD3' ' A' ' 88' ' ' ARG . 67.1 mt-10 -65.87 -43.89 86.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.943 -0.571 . . . . 102.89 110.797 175.954 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.61 -41.21 89.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 76.109999999999999 111.367 178.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 67.0 mt -60.49 -32.38 71.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.362 -0.381 . . . . 75.939999999999998 111.691 -179.066 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.79 -29.21 29.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.997 -0.547 . . . . 74.379999999999995 110.349 178.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 54.1 mt -79.05 -47.12 23.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.67 -0.696 . . . . 77.5 111.556 -178.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -107.08 97.73 19.27 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.459 -0.337 . . . . 75.599999999999994 110.808 177.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -59.75 148.86 86.28 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.647 2.231 . . . . 74.090000000000003 112.407 179.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -55.51 146.0 66.03 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 123.623 2.882 . . . . 73.290000000000006 113.346 -177.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.7 m -78.24 153.31 32.0 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 113.308 0.855 . . . . 99.590000000000003 113.308 -176.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -85.04 -139.29 4.62 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 109.278 -1.529 . . . . 86.340000000000003 109.278 170.575 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 55.6 ttm-85 -72.56 -34.98 67.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 117.024 0.412 . . . . 139.63999999999999 111.226 179.363 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -78.84 118.61 21.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.955 0.407 . . . . 82.030000000000001 110.318 178.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -106.18 -5.61 19.16 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.691 0.626 . . . . 77.599999999999994 112.691 -171.47 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.466 HD12 ' HG2' ' A' ' 74' ' ' MSE . 1.0 OUTLIER -130.77 137.95 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 113.024 0.749 . . . . 78.420000000000002 113.024 -169.52 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 7.4 tp -142.56 145.51 23.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-N 115.884 -0.598 . . . . 78.930000000000007 110.859 178.953 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.7 mp -106.52 134.89 48.97 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.129 0.418 . . . . 72.219999999999999 112.129 -178.043 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 62.2 p -72.75 173.3 9.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 81.989999999999995 110.165 174.017 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.0 p-10 -67.81 -18.64 64.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.62 0.247 . . . . 83.030000000000001 111.541 -179.118 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -92.98 -11.41 33.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.492 -0.322 . . . . 137.49000000000001 111.214 176.144 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.63 3.36 49.84 Favored Glycine 0 N--CA 1.452 -0.241 0 N-CA-C 115.067 0.787 . . . . 74.359999999999999 115.067 172.338 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 54.1 tttp -74.64 134.76 42.0 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.498 -0.927 . . . . 94.609999999999999 108.498 178.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' MSE . . . . . 0.466 ' HG2' HD12 ' A' ' 66' ' ' ILE . 67.1 ttp -92.37 130.96 37.92 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 119.593 -0.843 . . . . 109.84999999999999 112.001 -170.194 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -116.57 138.92 51.05 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 115.879 1.807 . . . . 114.33 115.879 -169.155 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -120.79 167.63 13.94 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 110.441 -1.064 . . . . 76.549999999999997 110.441 171.455 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 73.8 ttt-85 -67.11 -44.7 79.27 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.207 0.447 . . . . 77.549999999999997 112.207 -176.68 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -65.09 -33.19 75.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.874 0.368 . . . . 70.819999999999993 111.232 179.761 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -64.81 -45.17 87.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.03 -0.532 . . . . 103.87 110.542 177.121 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 54.9 mt -61.87 -44.06 97.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.957 -0.565 . . . . 78.140000000000001 110.698 175.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 47.0 mt -57.85 -50.09 78.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.642 -0.708 . . . . 72.400000000000006 110.478 178.203 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.0 -43.15 86.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.98 -0.555 . . . . 77.329999999999998 110.742 177.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 28.8 ttt-85 -58.11 -46.43 85.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.522 -0.763 . . . . 103.06999999999999 111.272 176.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -66.08 -32.08 73.34 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.246 0.461 . . . . 79.010000000000005 112.246 -177.853 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 20.4 mm -55.17 -56.66 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.582 -0.525 . . . . 87.189999999999998 109.582 175.198 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -55.9 -36.88 68.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.499 -0.773 . . . . 98.959999999999994 111.937 179.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.4 mp -61.97 -43.53 98.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.394 -0.366 . . . . 104.65000000000001 111.642 179.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.439 ' HD3' ' OE2' ' A' ' 53' ' ' GLU . 2.2 ttt180 -98.27 -43.05 7.12 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.786 0.662 . . . . 151.72 112.786 -175.116 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . . . -79.64 -52.44 7.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.003 0.43 . . . . 97.620000000000005 110.79 179.113 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 106.78 -17.91 38.17 Favored Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 110.328 -1.109 . . . . 95.519999999999996 110.328 -174.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . . . -84.43 159.34 20.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.981 0.42 . . . . 89.079999999999998 112.093 -177.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 97.3 m -96.35 123.93 40.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.938 -0.574 . . . . 105.48999999999999 111.653 -179.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 70.0 mmt-85 -129.22 115.91 18.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.016 -0.538 . . . . 103.89 109.92 176.242 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' THR . . . . . 0.523 HG22 ' H ' ' A' ' 96' ' ' LYS . 30.0 m -62.19 144.0 56.03 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.598 0.592 . . . . 92.549999999999997 112.598 -174.045 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 37.8 ttp85 -42.02 -36.13 1.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.767 -1.106 . . . . 77.090000000000003 113.23 170.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.523 ' H ' HG22 ' A' ' 94' ' ' THR . 7.6 mmpt? -85.94 -27.95 24.6 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.338 0.496 . . . . 79.769999999999996 112.338 -179.113 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -62.78 -39.68 94.94 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.615 -0.513 . . . . 97.359999999999999 109.615 174.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 54.6 t -64.01 -48.74 84.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.613 -0.721 . . . . 78.450000000000003 110.658 177.831 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 95.0 p -58.22 -35.39 71.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.047 -0.524 . . . . 75.829999999999998 111.557 -179.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 26.2 t -66.98 -40.32 87.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 84.670000000000002 110.808 177.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.494 ' HE1' ' OE1' ' A' ' 48' ' ' GLU . 10.3 t-160 -69.59 -44.37 70.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.9 -0.591 . . . . 92.659999999999997 111.422 -179.316 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.5 mm -52.38 -36.35 21.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-O 121.392 0.615 . . . . 79.560000000000002 110.163 175.173 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.402 ' O ' ' HG2' ' A' ' 107' ' ' ARG . 30.6 tt0 -70.35 -48.6 55.65 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.102 -0.954 . . . . 69.540000000000006 112.291 -177.345 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 10.7 m -67.4 -31.6 53.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 120.81 -0.356 . . . . 83.870000000000005 111.506 -175.279 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.0 mt -68.29 -36.99 80.19 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.96 -0.756 . . . . 83.359999999999999 108.96 177.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.64 -39.56 88.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.781 -0.645 . . . . 74.290000000000006 110.094 176.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 103' ' ' GLN . 33.8 mmt180 -60.45 -51.8 67.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.154 -0.476 . . . . 82.239999999999995 110.968 177.364 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -54.56 -55.56 27.96 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.942 -0.572 . . . . 97.510000000000005 112.495 -178.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -62.4 -29.77 70.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.503 . . . . 112.01000000000001 110.49 -177.389 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -71.04 -24.45 62.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 92.709999999999994 111.153 176.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 33.7 mtm180 -84.93 -53.35 5.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 103.64 111.421 177.853 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . . . -50.91 -31.84 18.78 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 112.681 0.623 . . . . 112.77 112.681 -178.001 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.5 pp -78.87 -31.71 15.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 112.8 0.667 . . . . 112.14 112.8 -178.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -93.15 -30.61 15.15 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.973 0.416 . . . . 119.58 110.236 -175.034 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.21 -24.07 67.01 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.806 -0.634 . . . . 108.92 109.651 172.02 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . . . -82.47 -32.53 28.83 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.893 -0.594 . . . . 108.88 110.185 171.673 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . . . -81.23 -1.23 44.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.413 -0.358 . . . . 111.09 111.211 178.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . . . -116.27 -27.56 6.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.27 -0.423 . . . . 110.36 111.052 179.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . . . -68.01 -22.38 64.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.26 -0.427 . . . . 122.36 111.135 179.297 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -105.37 -25.08 12.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.344 -0.389 . . . . 135.69 110.96 179.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.16 -24.0 66.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 117.25 111.049 178.666 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -84.03 -31.48 25.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.426 . . . . 113.37 110.511 176.836 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 37.2 mttm -75.36 -31.19 60.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 113.43000000000001 110.455 177.456 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . . . -75.32 -36.7 61.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.025 -0.534 . . . . 116.91 110.527 177.565 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 52.5 tttm -67.84 -40.99 83.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.035 -0.529 . . . . 115.90000000000001 111.415 -178.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.13 -55.12 32.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.066 -0.515 . . . . 113.18000000000001 111.522 -179.296 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.0 mp -56.41 -31.73 64.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.06 -0.518 . . . . 118.36 112.216 -179.849 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . . . -81.61 -43.36 18.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.349 -0.387 . . . . 115.67 111.731 -179.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 11.7 t -64.61 -26.48 68.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.202 0.525 . . . . 116.33 111.013 178.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' MSE . . . . . . . . . . . . . 3.0 ttm -89.73 -32.33 17.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.562 -0.745 . . . . 145.58000000000001 110.94 -178.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -66.15 -16.84 64.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.498 -0.319 . . . . 132.91999999999999 111.214 177.915 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 124.65000000000001 110.908 177.169 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.517 -1.108 0 C4'-C3'-C2' 101.607 -1.593 . . . . 109.01000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' ' DT' . . . . . 0.401 ' N3 ' ' N1 ' ' C' ' 12' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.521 1.26 0 C3'-C2'-C1' 100.165 -1.811 . . . . 105.34999999999999 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.522 1.369 0 P-O3'-C3' 120.843 0.953 . . . . 99.989999999999995 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.511 -1.662 0 O4'-C1'-N19 109.897 2.622 . . . . 106.64 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.81 0 C4'-C3'-C2' 104.842 1.642 . . . . 95.709999999999994 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.46 H2'' " O5'" ' B' ' 7' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.546 2.817 0 C1'-O4'-C4' 108.037 -1.188 . . . . 101.23 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ' DT' . . . . . 0.46 " O5'" H2'' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.404 -2.265 0 P-O3'-C3' 122.144 2.037 . . . . 116.31999999999999 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.531 1.348 0 O4'-C4'-C3' 106.625 1.025 . . . . 112.69 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.543 2.509 0 C4'-C3'-C2' 104.749 1.549 . . . . 104.91 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.401 -1.471 0 C3'-C2'-C1' 99.843 -2.041 . . . . 95.400000000000006 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.512 -1.557 0 O4'-C4'-C3' 103.363 -2.237 . . . . 103.20999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.416 -1.191 0 O4'-C4'-C3' 106.261 0.661 . . . . 83.040000000000006 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.019 0 O4'-C1'-N19 109.116 1.644 . . . . 78.430000000000007 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.518 0.902 0 C4'-C3'-C2' 101.738 -1.462 . . . . 79.519999999999996 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.416 -1.131 0 C3'-C2'-C1' 101.45 -0.893 . . . . 93.129999999999995 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' ' DG' . . . . . 0.465 " H1'" ' HE1' ' A' ' 74' ' ' MSE . . . . . . . . 0 C3'--C2' 1.547 2.866 0 O4'-C1'-N19 110.134 2.918 . . . . 82.079999999999998 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.512 -1.583 0 O4'-C1'-C2' 107.626 1.388 . . . . 71.780000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.41 -1.88 0 O5'-P-OP2 104.755 -1.313 . . . . 63.219999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.416 -1.497 0 O4'-C1'-N19 109.491 2.114 . . . . 78.109999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' ' DA' . . . . . 0.456 " H1'" H5'' ' C' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.422 -1.112 0 P-O3'-C3' 121.251 1.293 . . . . 86.959999999999994 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' ' DA' . . . . . 0.801 H2'' H5'' ' C' ' 9' ' ' ' DT' . . . . . . . . 0 C4'--C3' 1.509 -1.916 0 C4'-C3'-C2' 100.832 -2.368 . . . . 89.420000000000002 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' ' DT' . . . . . 0.801 H5'' H2'' ' C' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.415 -1.582 0 O4'-C1'-N19 108.572 0.964 . . . . 106.25 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.419 -1.328 0 P-O5'-C5' 119.722 -0.736 . . . . 122.52 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' ' DC' . . . . . 0.45 H2'' ' C8 ' ' C' ' 12' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.528 1.007 0 O4'-C1'-N19 108.661 1.076 . . . . 154.21000000000001 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' ' DA' . . . . . 0.508 H2'' " H5'" ' C' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.422 -1.124 0 C4'-C3'-C2' 101.563 -1.637 . . . . 155.13 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' ' DA' . . . . . 0.508 " H5'" H2'' ' C' ' 12' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.517 -1.095 0 C4'-C3'-C2' 101.949 -1.251 . . . . 136.75999999999999 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 101' ' ' PO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_