data_4m4i_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 4m4i _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.392 0 N-CA-C 111.43 -0.668 . . . . 39.399999999999999 111.43 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.8 pp -69.96 -32.37 51.26 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 N-CA-C 115.984 1.846 . . . . 61.880000000000003 115.984 -174.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 91.0 t -59.16 -39.53 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 106.907 -1.516 . . . . 51.119999999999997 106.907 176.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.4 mp0 -73.08 -51.24 18.8 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.817 -1.083 . . . . 48.020000000000003 111.237 -179.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -53.81 -51.67 62.76 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 114.445 1.276 . . . . 58.07 114.445 -179.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.5 m -59.6 -35.1 73.65 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 122.916 0.486 . . . . 22.5 111.849 178.673 -63.909 -72.332 105.816 100.014 2.018 101.612 -155.754 64.479 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.8 t -87.99 -48.67 7.59 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 114.227 1.195 . . . . 29.809999999999999 114.227 -178.575 -173.556 54.91 97.487 104.121 2.011 96.527 -94.35 -53.97 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.06 -33.06 61.67 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.048 -0.661 . . . . 33.840000000000003 109.853 -177.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.1 t -119.89 -130.85 0.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.456 -0.793 . . . . 37.159999999999997 109.075 -179.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.0 m -136.65 160.6 37.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.235 -0.654 . . . . 34.640000000000001 109.235 170.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 32.1 p -142.42 163.79 31.89 Favored 'General case' 0 N--CA 1.442 -0.853 0 N-CA-C 108.904 -0.776 . . . . 26.170000000000002 108.904 175.01 64.479 -155.754 105.816 101.612 2.018 100.014 -72.332 -63.909 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 98.1 p -104.82 164.77 11.54 Favored 'General case' 0 C--O 1.25 1.08 0 CA-C-O 121.219 0.533 . . . . 17.469999999999999 110.946 178.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 74.2 mt -67.61 -27.44 66.91 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.31 -0.996 . . . . 26.859999999999999 108.31 179.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -67.51 -41.17 84.88 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.506 -0.315 . . . . 36.079999999999998 111.43 177.665 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -57.79 -35.94 71.5 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 119.826 -0.75 . . . . 30.100000000000001 111.8 170.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.8 mt -68.4 -30.28 69.16 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 113.136 0.791 . . . . 25.960000000000001 113.136 -178.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -56.02 -26.98 51.12 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.887 0.375 . . . . 45.079999999999998 111.179 179.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -60.24 -17.6 42.93 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 120.266 -0.574 . . . . 58.090000000000003 111.689 178.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' TYR . . . . . 0.543 ' OH ' ' O ' ' A' ' 103' ' ' HOH . 87.9 m-85 -101.43 3.67 40.61 Favored 'General case' 0 CA--C 1.504 -0.808 0 N-CA-C 113.148 0.795 . . . . 55.270000000000003 113.148 -175.755 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 81.0 m -71.62 155.83 40.07 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 119.683 -0.807 . . . . 23.98 109.895 174.626 -60.289 -37.826 -83.992 110.275 2.043 99.295 -61.992 -55.199 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.508 -0.64 0 CA-C-N 116.511 -0.313 . . . . 52.210000000000001 110.788 174.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 . . . . . 0 C--O 1.234 0.279 0 CA-C-O 120.708 0.29 . . . . 67.079999999999998 111.383 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -119.02 159.97 19.24 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-N 115.978 -0.555 . . . . 68.670000000000002 111.653 -179.184 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -65.43 152.88 42.85 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 112.898 0.703 . . . . 48.75 112.898 179.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -123.96 138.75 54.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.784 -0.644 . . . . 33.840000000000003 112.104 -170.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -108.15 106.56 16.82 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 109.32 -0.622 . . . . 38.020000000000003 109.32 167.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 28.9 mt -133.14 110.8 10.42 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 120.75 0.309 . . . . 19.030000000000001 111.103 -166.317 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 56.6 m -116.69 155.3 29.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 23.27 110.149 177.365 -53.97 -94.35 97.487 96.527 2.011 104.121 54.91 -173.556 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.47 -133.09 43.11 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 116.293 1.277 . . . . 22.050000000000001 116.293 175.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 72.1 p -64.28 -20.96 66.41 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 122.349 -0.5 . . . . 26.48 111.998 -175.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -69.38 -32.06 70.85 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 122.216 0.206 . . . . 21.030000000000001 110.974 -178.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 40.0 tp -66.78 -45.48 78.33 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 120.185 -0.606 . . . . 28.539999999999999 110.494 174.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 17.8 m -62.67 -33.71 61.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 118.56 -1.256 . . . . 21.460000000000001 111.27 -178.6 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -64.16 -44.22 92.74 Favored 'General case' 0 C--O 1.236 0.385 0 O-C-N 121.466 -0.771 . . . . 29.670000000000002 110.317 172.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.01 -44.0 93.93 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 119.896 -0.721 . . . . 15.890000000000001 110.685 -179.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 60.8 mt -55.11 -46.62 75.57 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 120.423 -0.511 . . . . 17.440000000000001 111.625 175.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 93.9 t80 -58.63 -45.97 88.1 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 120.111 -0.636 . . . . 36.210000000000001 109.893 179.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 tp -60.29 -47.03 87.76 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.54 0.686 . . . . 21.489999999999998 112.12 -179.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 38.7 t -69.16 -40.98 81.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 113.105 0.78 . . . . 21.850000000000001 113.105 -178.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 59.3 m -94.79 -33.07 13.01 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 114.242 1.201 . . . . 25.600000000000001 114.242 -171.629 -55.199 -61.992 -83.992 99.295 2.043 110.275 -37.826 -60.289 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 50.21 -130.63 29.02 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 121.58 -0.343 . . . . 29.690000000000001 113.948 179.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' GLU . . . . . 0.449 ' OE2' ' O ' ' D' ' 208' ' ' HOH . 10.5 mm-40 -68.61 -15.09 63.42 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.034 0.383 . . . . 60.770000000000003 112.034 -172.649 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -61.85 -29.89 70.48 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 120.935 0.397 . . . . 52.25 110.258 174.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.82 169.87 37.15 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.621 -0.991 . . . . 33.460000000000001 110.621 -175.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -157.16 162.73 39.36 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 120.534 -0.467 . . . . 25.0 111.485 -176.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -109.23 127.87 54.6 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.85 -0.614 . . . . 46.969999999999999 109.986 172.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -101.75 109.59 21.39 Favored 'General case' 0 C--O 1.242 0.694 0 N-CA-C 107.291 -1.374 . . . . 30.879999999999999 107.291 173.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 45.5 p -132.37 84.6 51.31 Favored Pre-proline 0 C--O 1.235 0.319 0 CA-C-N 115.322 -0.854 . . . . 45.439999999999998 111.909 -169.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_exo -75.76 -175.28 2.39 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 124.823 3.682 . . . . 37.710000000000001 110.968 177.522 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt . . . . . 0 C--O 1.236 0.384 0 O-C-N 123.713 0.633 . . . . 43.329999999999998 109.592 169.561 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.478 -0.249 . . . . 36.740000000000002 112.478 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 12.3 tt -55.23 -39.87 53.49 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 N-CA-C 113.158 0.799 . . . . 26.739999999999998 113.158 -174.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 23.6 t -63.85 -43.26 97.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-O 121.25 0.548 . . . . 27.719999999999999 109.614 -179.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -65.13 -41.44 94.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.252 -0.431 . . . . 45.810000000000002 111.549 178.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -69.89 -47.13 63.74 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 112.905 0.706 . . . . 56.380000000000003 112.905 -179.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 64.1 m -105.2 -21.9 13.17 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 116.57 2.063 . . . . 27.59 116.57 -169.193 -57.302 -84.393 113.171 91.805 2.037 97.922 -157.712 67.12 1 1 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 44.5 t -101.82 -56.9 2.18 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.434 0.531 . . . . 27.140000000000001 112.434 -178.816 178.652 59.91 96.943 107.935 2.028 95.943 -93.472 -48.097 1 1 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.79 -56.06 20.89 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.436 0.636 . . . . 36.600000000000001 109.687 177.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 25.5 t -88.8 -155.96 0.36 Allowed 'General case' 0 C--O 1.237 0.435 0 CA-C-N 114.874 -1.057 . . . . 36.840000000000003 108.586 170.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 24.1 m -126.14 158.1 35.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 N-CA-C 109.169 -0.678 . . . . 30.59 109.169 173.43 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 26.1 p -131.84 149.19 52.53 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 119.044 -1.062 . . . . 27.050000000000001 112.299 179.693 67.12 -157.712 113.171 97.922 2.037 91.805 -84.393 -57.302 1 1 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 99.5 p -85.63 164.01 17.97 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-N 114.82 -1.082 . . . . 28.550000000000001 109.23 179.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 mp -61.53 -31.33 71.34 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 119.081 -1.048 . . . . 47.600000000000001 110.725 174.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -67.17 -36.44 81.81 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 112.078 0.399 . . . . 57.100000000000001 112.078 178.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -64.43 -38.4 90.89 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.018 -1.105 . . . . 41.060000000000002 108.018 176.151 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 18.8 mt -60.54 -32.22 71.27 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 112.839 0.681 . . . . 37.119999999999997 112.839 -179.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -64.38 -18.5 64.74 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 113.628 0.973 . . . . 46.439999999999998 113.628 178.377 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -61.87 -18.76 61.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.027 0.442 . . . . 35.619999999999997 111.717 177.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -105.94 10.86 32.23 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 112.897 0.702 . . . . 27.350000000000001 112.897 -176.013 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 82.3 m -79.31 149.06 31.88 Favored 'General case' 0 CA--C 1.515 -0.384 0 C-N-CA 119.409 -0.916 . . . . 26.870000000000001 109.676 171.647 -60.1 -43.115 -82.818 110.95 2.021 103.085 -63.569 -58.797 1 1 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 . . . . . 0 C--O 1.236 0.367 0 CA-C-O 120.983 0.42 . . . . 45.829999999999998 110.296 175.365 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 . . . . . 0 CA--C 1.54 0.564 0 N-CA-C 112.864 0.69 . . . . 61.210000000000001 112.864 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 2' ' ' VAL . . . . . . . . . . . . . 4.3 m -121.49 156.76 25.43 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 N-CA-C 109.007 -0.738 . . . . 49.329999999999998 109.007 177.79 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -73.97 153.42 39.76 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 107.936 -1.135 . . . . 53.759999999999998 107.936 170.724 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -160.35 166.6 29.11 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.149 1.166 . . . . 59.350000000000001 114.149 165.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -78.08 121.87 24.85 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 115.635 -0.711 . . . . 32.579999999999998 109.363 -179.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 48.7 mt -130.57 112.31 13.05 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 109.536 -0.542 . . . . 24.719999999999999 109.536 -178.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 20.9 m -125.15 147.83 48.85 Favored 'General case' 0 CA--C 1.512 -0.487 0 C-N-CA 120.459 -0.497 . . . . 25.600000000000001 111.473 -176.606 -48.097 -93.472 96.943 95.943 2.028 107.935 59.91 178.652 1 1 . 1 . 001 ecloud orig full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.88 -130.01 47.28 Favored Glycine 0 CA--C 1.505 -0.582 0 O-C-N 124.347 1.029 . . . . 22.629999999999999 113.14 169.239 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 77.5 p -63.05 -27.32 69.33 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 119.054 -1.058 . . . . 30.550000000000001 111.427 -177.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -70.28 -31.79 69.31 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 120.041 -0.664 . . . . 20.41 110.311 -178.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 11' ' ' LEU . . . . . . . . . . . . . 23.4 tp -69.62 -42.63 74.08 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.692 -0.855 . . . . 19.539999999999999 108.692 179.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 44.8 t -68.41 -34.09 63.85 Favored 'Isoleucine or valine' 0 C--O 1.245 0.834 0 CA-C-O 121.508 0.671 . . . . 22.350000000000001 111.495 177.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -57.61 -43.06 84.46 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 119.283 -0.967 . . . . 55.689999999999998 109.581 176.438 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.95 -42.94 89.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 15.19 110.298 -177.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 56.5 mt -59.27 -40.62 86.64 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.739 0.304 . . . . 19.489999999999998 111.293 176.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 16' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -62.04 -42.57 99.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.237 0.541 . . . . 27.489999999999998 109.749 178.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -42.2 76.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.49 0.662 . . . . 32.710000000000001 109.884 -174.844 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 38.0 t -72.92 -39.64 58.66 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 CA-C-N 115.161 -0.927 . . . . 24.579999999999998 112.466 -177.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 75.1 m -92.22 -34.44 14.28 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 113.742 1.016 . . . . 24.010000000000002 113.742 -172.209 -58.797 -63.569 -82.818 103.085 2.021 110.95 -43.115 -60.1 1 1 . 1 . 001 ecloud orig full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 57.3 -126.61 42.62 Favored Glycine 0 C--O 1.241 0.549 0 O-C-N 123.48 0.487 . . . . 35.979999999999997 112.868 179.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 8.2 pm0 -79.75 -6.0 56.4 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.988 0.736 . . . . 62.270000000000003 112.988 -172.953 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 22' ' ' ARG . . . . . 0.594 ' NH1' ' O ' ' D' ' 211' ' ' HOH . 74.9 mtp180 -67.15 -29.09 68.71 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 108.475 -0.935 . . . . 44.280000000000001 108.475 170.724 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.31 178.3 38.96 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 108.111 -1.996 . . . . 21.989999999999998 108.111 -175.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 24' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -157.41 174.15 15.84 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 121.072 0.463 . . . . 20.210000000000001 110.855 -175.295 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -124.07 132.77 53.7 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.389 -0.967 . . . . 31.0 108.389 172.495 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 26' ' ' TYR . . . . . 0.563 ' OH ' ' O ' ' D' ' 208' ' ' HOH . 49.9 t80 -108.08 108.33 19.37 Favored 'General case' 0 C--O 1.223 -0.316 0 N-CA-C 108.386 -0.968 . . . . 26.960000000000001 108.386 171.493 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 72.0 p -131.88 83.04 58.21 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.723 0.296 . . . . 31.579999999999998 111.386 -176.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 28' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -61.58 -24.58 78.17 Favored 'Trans proline' 0 C--O 1.238 0.489 0 C-N-CA 123.228 2.618 . . . . 29.609999999999999 114.045 -174.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -72.76 -25.7 61.28 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 113.157 0.799 . . . . 50.450000000000003 113.157 179.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 C-N-CA 120.145 -0.622 . . . . 41.439999999999998 111.569 -174.52 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 101' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . 0.543 ' O ' ' OH ' ' A' ' 19' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 208' ' ' HOH . . . . . 0.563 ' O ' ' OH ' ' D' ' 26' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 211' ' ' HOH . . . . . 0.594 ' O ' ' NH1' ' D' ' 22' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.392 0 N-CA-C 111.43 -0.668 . . . . 39.399999999999999 111.43 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ILE . . . . . 0.846 HG12 ' CZ ' ' A' ' 19' ' ' TYR . 1.8 pp -69.96 -32.37 51.26 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 N-CA-C 115.984 1.846 . . . . 61.880000000000003 115.984 -174.887 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 91.0 t -59.16 -39.53 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 106.907 -1.516 . . . . 51.119999999999997 106.907 176.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.4 mp0 -73.08 -51.24 18.8 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.817 -1.083 . . . . 48.020000000000003 111.237 -179.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -53.81 -51.67 62.76 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 114.445 1.276 . . . . 58.07 114.445 -179.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.5 m -59.6 -35.1 73.65 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 122.916 0.486 . . . . 22.5 111.849 178.673 -63.909 -72.332 105.816 100.014 2.018 101.612 -155.754 64.479 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.8 t -87.99 -48.67 7.59 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 114.227 1.195 . . . . 29.809999999999999 114.227 -178.575 -173.556 54.91 97.487 104.121 2.011 96.527 -94.35 -53.97 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.06 -33.06 61.67 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.048 -0.661 . . . . 33.840000000000003 109.853 -177.4 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.1 t -119.89 -130.85 0.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.456 -0.793 . . . . 37.159999999999997 109.075 -179.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.0 m -136.65 160.6 37.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.235 -0.654 . . . . 34.640000000000001 109.235 170.342 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 32.1 p -142.42 163.79 31.89 Favored 'General case' 0 N--CA 1.442 -0.853 0 N-CA-C 108.904 -0.776 . . . . 26.170000000000002 108.904 175.01 64.479 -155.754 105.816 101.612 2.018 100.014 -72.332 -63.909 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 98.1 p -104.82 164.77 11.54 Favored 'General case' 0 C--O 1.25 1.08 0 CA-C-O 121.219 0.533 . . . . 17.469999999999999 110.946 178.68 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 74.2 mt -67.61 -27.44 66.91 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.31 -0.996 . . . . 26.859999999999999 108.31 179.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -67.51 -41.17 84.88 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.506 -0.315 . . . . 36.079999999999998 111.43 177.665 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -57.79 -35.94 71.5 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 119.826 -0.75 . . . . 30.100000000000001 111.8 170.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.8 mt -68.4 -30.28 69.16 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 113.136 0.791 . . . . 25.960000000000001 113.136 -178.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -56.02 -26.98 51.12 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.887 0.375 . . . . 45.079999999999998 111.179 179.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -60.24 -17.6 42.93 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 120.266 -0.574 . . . . 58.090000000000003 111.689 178.565 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' TYR . . . . . 0.846 ' CZ ' HG12 ' A' ' 2' ' ' ILE . 87.9 m-85 -101.43 3.67 40.61 Favored 'General case' 0 CA--C 1.504 -0.808 0 N-CA-C 113.148 0.795 . . . . 55.270000000000003 113.148 -175.755 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 81.0 m -71.62 155.83 40.07 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 119.683 -0.807 . . . . 23.98 109.895 174.626 -60.289 -37.826 -83.992 110.275 2.043 99.295 -61.992 -55.199 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . 0.564 ' HB2' ' O ' ' B' ' 22' ' ' ARG . 0.7 OUTLIER . . . . . 0 CA--C 1.508 -0.64 0 CA-C-N 116.511 -0.313 . . . . 52.210000000000001 110.788 174.597 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 . . . . . 0 C--O 1.234 0.279 0 CA-C-O 120.708 0.29 . . . . 67.079999999999998 111.383 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -119.02 159.97 19.24 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-N 115.978 -0.555 . . . . 68.670000000000002 111.653 -179.184 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -65.43 152.88 42.85 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 112.898 0.703 . . . . 48.75 112.898 179.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -123.96 138.75 54.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.784 -0.644 . . . . 33.840000000000003 112.104 -170.539 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -108.15 106.56 16.82 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 109.32 -0.622 . . . . 38.020000000000003 109.32 167.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 28.9 mt -133.14 110.8 10.42 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 120.75 0.309 . . . . 19.030000000000001 111.103 -166.317 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 56.6 m -116.69 155.3 29.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 23.27 110.149 177.365 -53.97 -94.35 97.487 96.527 2.011 104.121 54.91 -173.556 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.47 -133.09 43.11 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 116.293 1.277 . . . . 22.050000000000001 116.293 175.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 72.1 p -64.28 -20.96 66.41 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 122.349 -0.5 . . . . 26.48 111.998 -175.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -69.38 -32.06 70.85 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 122.216 0.206 . . . . 21.030000000000001 110.974 -178.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 40.0 tp -66.78 -45.48 78.33 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 120.185 -0.606 . . . . 28.539999999999999 110.494 174.036 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 17.8 m -62.67 -33.71 61.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 118.56 -1.256 . . . . 22.120000000000001 111.27 -178.6 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLU . . . . . 0.425 ' OE1' ' HB2' ' D' ' 9' ' ' SER . 39.6 mm-40 -64.16 -44.22 92.74 Favored 'General case' 0 C--O 1.236 0.385 0 O-C-N 121.466 -0.771 . . . . 29.670000000000002 110.317 172.354 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.01 -44.0 93.93 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 119.896 -0.721 . . . . 15.890000000000001 110.685 -179.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 60.8 mt -55.11 -46.62 75.57 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 120.423 -0.511 . . . . 17.440000000000001 111.625 175.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 93.9 t80 -58.63 -45.97 88.1 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 120.111 -0.636 . . . . 36.210000000000001 109.893 179.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 tp -60.29 -47.03 87.76 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.54 0.686 . . . . 21.489999999999998 112.12 -179.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 38.7 t -69.16 -40.98 81.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 113.105 0.78 . . . . 21.850000000000001 113.105 -178.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' CYS . . . . . 0.417 ' O ' ' HB2' ' B' ' 22' ' ' ARG . 59.3 m -94.79 -33.07 13.01 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 114.242 1.201 . . . . 25.600000000000001 114.242 -171.629 -55.199 -61.992 -83.992 99.295 2.043 110.275 -37.826 -60.289 2 2 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 50.21 -130.63 29.02 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 121.58 -0.343 . . . . 29.690000000000001 113.948 179.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' GLU . . . . . 0.449 ' OE2' ' O ' ' D' ' 208' ' ' HOH . 10.5 mm-40 -68.61 -15.09 63.42 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.034 0.383 . . . . 60.770000000000003 112.034 -172.649 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ARG . . . . . 0.564 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 4.9 mtp180 -61.85 -29.89 70.48 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 120.935 0.397 . . . . 52.25 110.258 174.018 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.82 169.87 37.15 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.621 -0.991 . . . . 33.460000000000001 110.621 -175.801 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -157.16 162.73 39.36 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 120.534 -0.467 . . . . 25.0 111.485 -176.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -109.23 127.87 54.6 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.85 -0.614 . . . . 46.969999999999999 109.986 172.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -101.75 109.59 21.39 Favored 'General case' 0 C--O 1.242 0.694 0 N-CA-C 107.291 -1.374 . . . . 30.879999999999999 107.291 173.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 45.5 p -132.37 84.6 51.31 Favored Pre-proline 0 C--O 1.235 0.319 0 CA-C-N 115.322 -0.854 . . . . 45.439999999999998 111.909 -169.336 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_exo -75.76 -175.28 2.39 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 124.823 3.682 . . . . 37.710000000000001 110.968 177.522 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LYS . . . . . 0.417 ' HB3' ' HE2' ' B' ' 29' ' ' LYS . 13.7 mtpt . . . . . 0 C--O 1.236 0.384 0 O-C-N 123.713 0.633 . . . . 43.329999999999998 109.592 169.561 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.478 -0.249 . . . . 36.740000000000002 112.478 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 12.3 tt -55.23 -39.87 53.49 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 N-CA-C 113.158 0.799 . . . . 26.739999999999998 113.158 -174.705 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 23.6 t -63.85 -43.26 97.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-O 121.25 0.548 . . . . 27.719999999999999 109.614 -179.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -65.13 -41.44 94.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.252 -0.431 . . . . 45.810000000000002 111.549 178.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -69.89 -47.13 63.74 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 112.905 0.706 . . . . 56.380000000000003 112.905 -179.457 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 64.1 m -105.2 -21.9 13.17 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 116.57 2.063 . . . . 27.59 116.57 -169.193 -57.302 -84.393 113.171 91.805 2.037 97.922 -157.712 67.12 1 1 . 1 . 001 ecloud build full ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 44.5 t -101.82 -56.9 2.18 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.434 0.531 . . . . 27.140000000000001 112.434 -178.816 178.652 59.91 96.943 107.935 2.028 95.943 -93.472 -48.097 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.79 -56.06 20.89 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.436 0.636 . . . . 36.600000000000001 109.687 177.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 25.5 t -88.8 -155.96 0.36 Allowed 'General case' 0 C--O 1.237 0.435 0 CA-C-N 114.874 -1.057 . . . . 36.840000000000003 108.586 170.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 24.1 m -126.14 158.1 35.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 N-CA-C 109.169 -0.678 . . . . 30.59 109.169 173.43 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 26.1 p -131.84 149.19 52.53 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 119.044 -1.062 . . . . 27.52 112.299 179.693 67.12 -157.712 113.171 97.922 2.037 91.805 -84.393 -57.302 1 1 . 1 . 001 ecloud build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 99.5 p -85.63 164.01 17.97 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-N 114.82 -1.082 . . . . 28.550000000000001 109.23 179.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 mp -61.53 -31.33 71.34 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 119.081 -1.048 . . . . 47.600000000000001 110.725 174.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -67.17 -36.44 81.81 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 112.078 0.399 . . . . 57.100000000000001 112.078 178.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -64.43 -38.4 90.89 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.018 -1.105 . . . . 41.060000000000002 108.018 176.151 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 18.8 mt -60.54 -32.22 71.27 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 112.839 0.681 . . . . 37.119999999999997 112.839 -179.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -64.38 -18.5 64.74 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 113.628 0.973 . . . . 46.439999999999998 113.628 178.377 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -61.87 -18.76 61.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.027 0.442 . . . . 35.619999999999997 111.717 177.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -105.94 10.86 32.23 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 112.897 0.702 . . . . 27.350000000000001 112.897 -176.013 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 82.3 m -79.31 149.06 31.88 Favored 'General case' 0 CA--C 1.515 -0.384 0 C-N-CA 119.409 -0.916 . . . . 26.870000000000001 109.676 171.647 -60.1 -43.115 -82.818 110.95 2.021 103.085 -63.569 -58.797 1 1 . 1 . 001 ecloud build full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 . . . . . 0 C--O 1.236 0.367 0 CA-C-O 120.983 0.42 . . . . 45.829999999999998 110.296 175.365 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 . . . . . 0 CA--C 1.54 0.564 0 N-CA-C 112.864 0.69 . . . . 61.210000000000001 112.864 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 2' ' ' VAL . . . . . . . . . . . . . 4.3 m -121.49 156.76 25.43 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 N-CA-C 109.007 -0.738 . . . . 49.329999999999998 109.007 177.79 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -73.97 153.42 39.76 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 107.936 -1.135 . . . . 53.759999999999998 107.936 170.724 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -160.35 166.6 29.11 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.149 1.166 . . . . 59.350000000000001 114.149 165.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -78.08 121.87 24.85 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 115.635 -0.711 . . . . 32.579999999999998 109.363 -179.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 48.7 mt -130.57 112.31 13.05 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 109.536 -0.542 . . . . 24.719999999999999 109.536 -178.646 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 20.9 m -125.15 147.83 48.85 Favored 'General case' 0 CA--C 1.512 -0.487 0 C-N-CA 120.459 -0.497 . . . . 25.600000000000001 111.473 -176.606 -48.097 -93.472 96.943 95.943 2.028 107.935 59.91 178.652 1 1 . 1 . 001 ecloud build full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.88 -130.01 47.28 Favored Glycine 0 CA--C 1.505 -0.582 0 O-C-N 124.347 1.029 . . . . 22.629999999999999 113.14 169.239 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 9' ' ' SER . . . . . 0.425 ' HB2' ' OE1' ' B' ' 13' ' ' GLU . 77.5 p -63.05 -27.32 69.33 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 119.054 -1.058 . . . . 30.550000000000001 111.427 -177.461 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -70.28 -31.79 69.31 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 120.041 -0.664 . . . . 20.41 110.311 -178.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 11' ' ' LEU . . . . . . . . . . . . . 23.4 tp -69.62 -42.63 74.08 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.692 -0.855 . . . . 19.539999999999999 108.692 179.826 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 44.8 t -68.41 -34.09 63.85 Favored 'Isoleucine or valine' 0 C--O 1.245 0.834 0 CA-C-O 121.508 0.671 . . . . 22.350000000000001 111.495 177.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -57.61 -43.06 84.46 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 119.283 -0.967 . . . . 55.689999999999998 109.581 176.438 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.95 -42.94 89.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 15.19 110.298 -177.774 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 56.5 mt -59.27 -40.62 86.64 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.739 0.304 . . . . 19.489999999999998 111.293 176.403 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 16' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -62.04 -42.57 99.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.237 0.541 . . . . 27.489999999999998 109.749 178.613 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -42.2 76.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.49 0.662 . . . . 32.710000000000001 109.884 -174.844 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 38.0 t -72.92 -39.64 58.66 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 CA-C-N 115.161 -0.927 . . . . 24.579999999999998 112.466 -177.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 75.1 m -92.22 -34.44 14.28 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 113.742 1.016 . . . . 24.010000000000002 113.742 -172.209 -58.797 -63.569 -82.818 103.085 2.021 110.95 -43.115 -60.1 1 1 . 1 . 001 ecloud build full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 57.3 -126.61 42.62 Favored Glycine 0 C--O 1.241 0.549 0 O-C-N 123.48 0.487 . . . . 35.979999999999997 112.868 179.023 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 8.2 pm0 -79.75 -6.0 56.4 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.988 0.736 . . . . 62.270000000000003 112.988 -172.953 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 22' ' ' ARG . . . . . 0.449 ' NH1' ' O ' ' D' ' 211' ' ' HOH . 74.9 mtp180 -67.15 -29.09 68.71 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 108.475 -0.935 . . . . 44.280000000000001 108.475 170.724 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.31 178.3 38.96 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 108.111 -1.996 . . . . 21.989999999999998 108.111 -175.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 24' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -157.41 174.15 15.84 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 121.072 0.463 . . . . 20.210000000000001 110.855 -175.295 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -124.07 132.77 53.7 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.389 -0.967 . . . . 31.0 108.389 172.495 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -108.08 108.33 19.37 Favored 'General case' 0 C--O 1.223 -0.316 0 N-CA-C 108.386 -0.968 . . . . 26.960000000000001 108.386 171.493 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 72.0 p -131.88 83.04 58.21 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.723 0.296 . . . . 31.579999999999998 111.386 -176.667 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 28' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -61.58 -24.58 78.17 Favored 'Trans proline' 0 C--O 1.238 0.489 0 C-N-CA 123.228 2.618 . . . . 29.609999999999999 114.045 -174.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -72.76 -25.7 61.28 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 113.157 0.799 . . . . 50.450000000000003 113.157 179.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 C-N-CA 120.145 -0.622 . . . . 41.439999999999998 111.569 -174.52 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 101' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . 0.473 ' O ' ' OH ' ' A' ' 19' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 208' ' ' HOH . . . . . 0.449 ' O ' ' OE2' ' B' ' 21' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 211' ' ' HOH . . . . . 0.449 ' O ' ' NH1' ' D' ' 22' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.392 0 N-CA-C 111.43 -0.668 . . . . 39.399999999999999 111.43 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.846 HG12 ' CZ ' ' A' ' 19' ' ' TYR . 1.8 pp -69.96 -32.37 51.26 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 N-CA-C 115.984 1.846 . . . . 61.880000000000003 115.984 -174.887 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 91.0 t -59.16 -39.53 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 106.907 -1.516 . . . . 51.119999999999997 106.907 176.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.4 mp0 -73.08 -51.24 18.8 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.817 -1.083 . . . . 48.020000000000003 111.237 -179.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -53.81 -51.67 62.76 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 114.445 1.276 . . . . 58.07 114.445 -179.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.5 m -59.6 -35.1 73.65 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 122.916 0.486 . . . . 22.5 111.849 178.673 -63.909 -72.332 105.816 100.014 2.018 101.612 -155.754 64.479 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.8 t -87.99 -48.67 7.59 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 114.227 1.195 . . . . 29.809999999999999 114.227 -178.575 -173.556 54.91 97.487 104.121 2.011 96.527 -94.35 -53.97 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.06 -33.06 61.67 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.048 -0.661 . . . . 33.840000000000003 109.853 -177.4 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.1 t -119.89 -130.85 0.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.456 -0.793 . . . . 37.159999999999997 109.075 -179.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.0 m -136.65 160.6 37.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.235 -0.654 . . . . 34.640000000000001 109.235 170.342 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 32.1 p -142.42 163.79 31.89 Favored 'General case' 0 N--CA 1.442 -0.853 0 N-CA-C 108.904 -0.776 . . . . 26.170000000000002 108.904 175.01 64.479 -155.754 105.816 101.612 2.018 100.014 -72.332 -63.909 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 98.1 p -104.82 164.77 11.54 Favored 'General case' 0 C--O 1.25 1.08 0 CA-C-O 121.219 0.533 . . . . 17.469999999999999 110.946 178.68 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 74.2 mt -67.61 -27.44 66.91 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.31 -0.996 . . . . 26.859999999999999 108.31 179.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -67.51 -41.17 84.88 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.506 -0.315 . . . . 36.079999999999998 111.43 177.665 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -57.79 -35.94 71.5 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 119.826 -0.75 . . . . 30.100000000000001 111.8 170.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.8 mt -68.4 -30.28 69.16 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 113.136 0.791 . . . . 25.960000000000001 113.136 -178.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -56.02 -26.98 51.12 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.887 0.375 . . . . 45.079999999999998 111.179 179.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -60.24 -17.6 42.93 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 120.266 -0.574 . . . . 58.090000000000003 111.689 178.565 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.846 ' CZ ' HG12 ' A' ' 2' ' ' ILE . 87.9 m-85 -101.43 3.67 40.61 Favored 'General case' 0 CA--C 1.504 -0.808 0 N-CA-C 113.148 0.795 . . . . 55.270000000000003 113.148 -175.755 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 81.0 m -71.62 155.83 40.07 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 119.683 -0.807 . . . . 23.98 109.895 174.626 -60.289 -37.826 -83.992 110.275 2.043 99.295 -61.992 -55.199 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.564 ' HB2' ' O ' ' B' ' 22' ' ' ARG . 0.7 OUTLIER . . . . . 0 CA--C 1.508 -0.64 0 CA-C-N 116.511 -0.313 . . . . 52.210000000000001 110.788 174.597 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 . . . . . 0 C--O 1.234 0.279 0 CA-C-O 120.708 0.29 . . . . 67.079999999999998 111.383 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -119.02 159.97 19.24 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-N 115.978 -0.555 . . . . 68.670000000000002 111.653 -179.184 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -65.43 152.88 42.85 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 112.898 0.703 . . . . 48.75 112.898 179.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -123.96 138.75 54.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.784 -0.644 . . . . 33.840000000000003 112.104 -170.539 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -108.15 106.56 16.82 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 109.32 -0.622 . . . . 38.020000000000003 109.32 167.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 28.9 mt -133.14 110.8 10.42 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 120.75 0.309 . . . . 19.030000000000001 111.103 -166.317 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 56.6 m -116.69 155.3 29.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 23.27 110.149 177.365 -53.97 -94.35 97.487 96.527 2.011 104.121 54.91 -173.556 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.47 -133.09 43.11 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 116.293 1.277 . . . . 22.050000000000001 116.293 175.108 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 72.1 p -64.28 -20.96 66.41 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 122.349 -0.5 . . . . 26.48 111.998 -175.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -69.38 -32.06 70.85 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 122.216 0.206 . . . . 21.030000000000001 110.974 -178.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 40.0 tp -66.78 -45.48 78.33 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 120.185 -0.606 . . . . 28.539999999999999 110.494 174.036 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 17.8 m -62.67 -33.71 61.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 118.56 -1.256 . . . . 22.120000000000001 111.27 -178.6 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.425 ' OE1' ' HB2' ' D' ' 9' ' ' SER . 39.6 mm-40 -64.16 -44.22 92.74 Favored 'General case' 0 C--O 1.236 0.385 0 O-C-N 121.466 -0.771 . . . . 29.670000000000002 110.317 172.354 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.01 -44.0 93.93 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 119.896 -0.721 . . . . 15.890000000000001 110.685 -179.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 60.8 mt -55.11 -46.62 75.57 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 120.423 -0.511 . . . . 17.440000000000001 111.625 175.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 93.9 t80 -58.63 -45.97 88.1 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 120.111 -0.636 . . . . 36.210000000000001 109.893 179.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 45.6 tp -60.29 -47.03 87.76 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.54 0.686 . . . . 21.489999999999998 112.12 -179.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 38.7 t -69.16 -40.98 81.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 113.105 0.78 . . . . 21.850000000000001 113.105 -178.549 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' CYS . . . . . 0.417 ' O ' ' HB2' ' B' ' 22' ' ' ARG . 59.3 m -94.79 -33.07 13.01 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 114.242 1.201 . . . . 25.600000000000001 114.242 -171.629 -55.199 -61.992 -83.992 99.295 2.043 110.275 -37.826 -60.289 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 50.21 -130.63 29.02 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 121.58 -0.343 . . . . 29.690000000000001 113.948 179.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.449 ' OE2' ' O ' ' D' ' 208' ' ' HOH . 10.5 mm-40 -68.61 -15.09 63.42 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.034 0.383 . . . . 60.770000000000003 112.034 -172.649 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.564 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 4.9 mtp180 -61.85 -29.89 70.48 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 120.935 0.397 . . . . 52.25 110.258 174.018 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.82 169.87 37.15 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.621 -0.991 . . . . 33.460000000000001 110.621 -175.801 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -157.16 162.73 39.36 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 120.534 -0.467 . . . . 25.0 111.485 -176.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -109.23 127.87 54.6 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.85 -0.614 . . . . 46.969999999999999 109.986 172.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -101.75 109.59 21.39 Favored 'General case' 0 C--O 1.242 0.694 0 N-CA-C 107.291 -1.374 . . . . 30.879999999999999 107.291 173.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 45.5 p -132.37 84.6 51.31 Favored Pre-proline 0 C--O 1.235 0.319 0 CA-C-N 115.322 -0.854 . . . . 45.439999999999998 111.909 -169.336 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_exo -75.76 -175.28 2.39 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 124.823 3.682 . . . . 37.710000000000001 110.968 177.522 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.417 ' HB3' ' HE2' ' B' ' 29' ' ' LYS . 13.7 mtpt . . . . . 0 C--O 1.236 0.384 0 O-C-N 123.713 0.633 . . . . 43.329999999999998 109.592 169.561 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.478 -0.249 . . . . 36.740000000000002 112.478 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 12.3 tt -55.23 -39.87 53.49 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 N-CA-C 113.158 0.799 . . . . 26.739999999999998 113.158 -174.705 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 23.6 t -63.85 -43.26 97.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-O 121.25 0.548 . . . . 27.719999999999999 109.614 -179.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -65.13 -41.44 94.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.252 -0.431 . . . . 45.810000000000002 111.549 178.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -69.89 -47.13 63.74 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 112.905 0.706 . . . . 56.380000000000003 112.905 -179.457 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 64.1 m -105.2 -21.9 13.17 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 116.57 2.063 . . . . 27.59 116.57 -169.193 -57.302 -84.393 113.171 91.805 2.037 97.922 -157.712 67.12 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 44.5 t -101.82 -56.9 2.18 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.434 0.531 . . . . 27.140000000000001 112.434 -178.816 178.652 59.91 96.943 107.935 2.028 95.943 -93.472 -48.097 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.79 -56.06 20.89 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.436 0.636 . . . . 36.600000000000001 109.687 177.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 25.5 t -88.8 -155.96 0.36 Allowed 'General case' 0 C--O 1.237 0.435 0 CA-C-N 114.874 -1.057 . . . . 36.840000000000003 108.586 170.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 24.1 m -126.14 158.1 35.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 N-CA-C 109.169 -0.678 . . . . 30.59 109.169 173.43 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 26.1 p -131.84 149.19 52.53 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 119.044 -1.062 . . . . 27.52 112.299 179.693 67.12 -157.712 113.171 97.922 2.037 91.805 -84.393 -57.302 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 99.5 p -85.63 164.01 17.97 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-N 114.82 -1.082 . . . . 28.550000000000001 109.23 179.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 mp -61.53 -31.33 71.34 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 119.081 -1.048 . . . . 47.600000000000001 110.725 174.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -67.17 -36.44 81.81 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 112.078 0.399 . . . . 57.100000000000001 112.078 178.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -64.43 -38.4 90.89 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.018 -1.105 . . . . 41.060000000000002 108.018 176.151 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 18.8 mt -60.54 -32.22 71.27 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 112.839 0.681 . . . . 37.119999999999997 112.839 -179.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -64.38 -18.5 64.74 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 113.628 0.973 . . . . 46.439999999999998 113.628 178.377 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -61.87 -18.76 61.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.027 0.442 . . . . 35.619999999999997 111.717 177.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -105.94 10.86 32.23 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 112.897 0.702 . . . . 27.350000000000001 112.897 -176.013 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 82.3 m -79.31 149.06 31.88 Favored 'General case' 0 CA--C 1.515 -0.384 0 C-N-CA 119.409 -0.916 . . . . 26.870000000000001 109.676 171.647 -60.1 -43.115 -82.818 110.95 2.021 103.085 -63.569 -58.797 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 . . . . . 0 C--O 1.236 0.367 0 CA-C-O 120.983 0.42 . . . . 45.829999999999998 110.296 175.365 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 . . . . . 0 CA--C 1.54 0.564 0 N-CA-C 112.864 0.69 . . . . 61.210000000000001 112.864 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 2' ' ' VAL . . . . . . . . . . . . . 4.3 m -121.49 156.76 25.43 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 N-CA-C 109.007 -0.738 . . . . 49.329999999999998 109.007 177.79 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -73.97 153.42 39.76 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 107.936 -1.135 . . . . 53.759999999999998 107.936 170.724 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -160.35 166.6 29.11 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.149 1.166 . . . . 59.350000000000001 114.149 165.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -78.08 121.87 24.85 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 115.635 -0.711 . . . . 32.579999999999998 109.363 -179.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 48.7 mt -130.57 112.31 13.05 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 109.536 -0.542 . . . . 24.719999999999999 109.536 -178.646 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 20.9 m -125.15 147.83 48.85 Favored 'General case' 0 CA--C 1.512 -0.487 0 C-N-CA 120.459 -0.497 . . . . 25.600000000000001 111.473 -176.606 -48.097 -93.472 96.943 95.943 2.028 107.935 59.91 178.652 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.88 -130.01 47.28 Favored Glycine 0 CA--C 1.505 -0.582 0 O-C-N 124.347 1.029 . . . . 22.629999999999999 113.14 169.239 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 9' ' ' SER . . . . . 0.425 ' HB2' ' OE1' ' B' ' 13' ' ' GLU . 77.5 p -63.05 -27.32 69.33 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 119.054 -1.058 . . . . 30.550000000000001 111.427 -177.461 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -70.28 -31.79 69.31 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 120.041 -0.664 . . . . 20.41 110.311 -178.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 11' ' ' LEU . . . . . . . . . . . . . 23.4 tp -69.62 -42.63 74.08 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.692 -0.855 . . . . 19.539999999999999 108.692 179.826 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 44.8 t -68.41 -34.09 63.85 Favored 'Isoleucine or valine' 0 C--O 1.245 0.834 0 CA-C-O 121.508 0.671 . . . . 22.350000000000001 111.495 177.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -57.61 -43.06 84.46 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 119.283 -0.967 . . . . 55.689999999999998 109.581 176.438 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.95 -42.94 89.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 15.19 110.298 -177.774 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 56.5 mt -59.27 -40.62 86.64 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.739 0.304 . . . . 19.489999999999998 111.293 176.403 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 16' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -62.04 -42.57 99.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.237 0.541 . . . . 27.489999999999998 109.749 178.613 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -42.2 76.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.49 0.662 . . . . 32.710000000000001 109.884 -174.844 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 38.0 t -72.92 -39.64 58.66 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 CA-C-N 115.161 -0.927 . . . . 24.579999999999998 112.466 -177.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 75.1 m -92.22 -34.44 14.28 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 113.742 1.016 . . . . 24.010000000000002 113.742 -172.209 -58.797 -63.569 -82.818 103.085 2.021 110.95 -43.115 -60.1 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 57.3 -126.61 42.62 Favored Glycine 0 C--O 1.241 0.549 0 O-C-N 123.48 0.487 . . . . 35.979999999999997 112.868 179.023 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 8.2 pm0 -79.75 -6.0 56.4 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.988 0.736 . . . . 62.270000000000003 112.988 -172.953 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 22' ' ' ARG . . . . . 0.449 ' NH1' ' O ' ' D' ' 211' ' ' HOH . 74.9 mtp180 -67.15 -29.09 68.71 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 108.475 -0.935 . . . . 44.280000000000001 108.475 170.724 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.31 178.3 38.96 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 108.111 -1.996 . . . . 21.989999999999998 108.111 -175.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 24' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -157.41 174.15 15.84 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 121.072 0.463 . . . . 20.210000000000001 110.855 -175.295 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -124.07 132.77 53.7 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.389 -0.967 . . . . 31.0 108.389 172.495 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -108.08 108.33 19.37 Favored 'General case' 0 C--O 1.223 -0.316 0 N-CA-C 108.386 -0.968 . . . . 26.960000000000001 108.386 171.493 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 72.0 p -131.88 83.04 58.21 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.723 0.296 . . . . 31.579999999999998 111.386 -176.667 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 28' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -61.58 -24.58 78.17 Favored 'Trans proline' 0 C--O 1.238 0.489 0 C-N-CA 123.228 2.618 . . . . 29.609999999999999 114.045 -174.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -72.76 -25.7 61.28 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 113.157 0.799 . . . . 50.450000000000003 113.157 179.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 C-N-CA 120.145 -0.622 . . . . 41.439999999999998 111.569 -174.52 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 101' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . 0.473 ' O ' ' OH ' ' A' ' 19' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 208' ' ' HOH . . . . . 0.449 ' O ' ' OE2' ' B' ' 21' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 211' ' ' HOH . . . . . 0.449 ' O ' ' NH1' ' D' ' 22' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_