data_1rei_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 1rei _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' ' ' ASP . . . . . 0.885 ' CG ' ' N ' ' A' ' 2' ' ' ILE . 3.6 p-10 . . . . . 0 C--O 1.239 0.532 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ILE . . . . . 0.885 ' N ' ' CG ' ' A' ' 1' ' ' ASP . 3.7 mt -93.89 130.94 42.13 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 1 N-CA-C 95.076 -5.898 . . . . 0.0 95.076 172.868 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.5 141.99 29.89 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 179.549 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.2 mmm -122.24 123.44 41.48 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 -173.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.4 m -108.63 115.79 30.77 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.738 -178.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -109.07 137.36 47.1 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.17 -173.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.4 t -151.27 147.82 21.23 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.382 -0.826 . . . . 0.0 112.283 179.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -65.29 -176.34 6.82 Favored 'Cis proline' 0 C--N 1.317 -1.125 1 N-CA-C 128.475 6.298 . . . . 0.0 128.475 -23.377 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.9 p -102.87 -24.05 13.71 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 101.867 -3.383 . . . . 0.0 101.867 -167.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.18 159.46 38.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.282 171.228 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.2 tt -160.98 130.39 4.8 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 101.58 -3.489 . . . . 0.0 101.58 -160.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.5 m -114.38 130.82 56.71 Favored 'General case' 0 C--N 1.322 -0.62 1 N-CA-C 127.469 6.1 . . . . 0.0 127.469 150.456 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 107' ' ' THR . . . -132.83 -175.7 3.86 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 103.88 -2.637 . . . . 0.0 103.88 -179.558 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.6 p -138.71 169.07 18.45 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 100.336 -3.95 . . . . 0.0 100.336 177.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.6 m -84.22 151.31 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 1 N-CA-C 95.802 -5.629 . . . . 0.0 95.802 -147.546 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.0 -18.67 5.93 Favored Glycine 0 N--CA 1.47 0.928 1 N-CA-C 134.127 8.411 . . . . 0.0 134.127 -146.417 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -77.42 162.83 26.91 Favored 'General case' 0 N--CA 1.519 3.021 0 C-N-CA 117.898 -1.521 . . . . 0.0 107.292 -169.122 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.5 ttp180 -92.14 131.13 37.63 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 104.791 -2.3 . . . . 0.0 104.791 165.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -119.69 140.99 41.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 103.052 -2.944 . . . . 0.0 103.052 173.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.2 m -130.98 122.75 27.41 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 105.346 -2.094 . . . . 0.0 105.346 175.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -118.32 136.07 56.67 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.134 0 N-CA-C 104.229 -2.508 . . . . 0.0 104.229 174.948 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 74.7 p -112.43 165.8 11.89 Favored 'General case' 0 C--N 1.316 -0.864 1 N-CA-C 122.338 4.199 . . . . 0.0 122.338 174.712 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m -140.27 125.68 18.95 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 171.911 -94.236 -153.101 -90.998 105.196 2.004 104.983 -133.307 77.064 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -102.97 138.15 40.23 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 121.025 3.713 . . . . 0.0 121.025 165.687 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -102.7 157.24 17.09 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 104.949 -2.241 . . . . 0.0 104.949 178.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.5 p -96.38 6.66 48.3 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 -170.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -157.84 142.47 16.37 Favored 'General case' 0 C--O 1.241 0.637 1 N-CA-C 97.516 -4.994 . . . . 0.0 97.516 -174.231 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -39.36 107.77 0.07 Allowed 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 120.835 3.642 . . . . 0.0 120.835 154.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.2 pt -111.66 9.36 8.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 102.424 -3.176 . . . . 0.0 102.424 -178.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ILE . . . . . 0.471 ' CG2' ' N ' ' A' ' 31' ' ' LYS . 82.4 mt 79.25 -77.94 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-O 120.851 0.358 . . . . 0.0 110.673 154.431 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LYS . . . . . 0.471 ' N ' ' CG2' ' A' ' 30' ' ' ILE . 0.2 OUTLIER -145.57 20.85 1.5 Allowed 'General case' 0 C--N 1.32 -0.691 1 N-CA-C 127.562 6.134 . . . . 0.0 127.562 150.163 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -104.11 88.63 3.05 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 103.538 -2.764 . . . . 0.0 103.538 -151.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -143.47 133.21 23.83 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.266 -0.879 . . . . 0.0 112.782 -179.072 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -113.92 143.3 44.93 Favored 'General case' 0 CA--C 1.502 -0.889 0 N-CA-C 103.009 -2.959 . . . . 0.0 103.009 -171.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -112.34 131.31 55.6 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.748 173.612 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -116.9 149.42 40.14 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 -173.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -120.08 137.19 54.27 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 169.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -135.8 107.19 6.85 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.758 177.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' THR . . . . . 0.707 ' CG2' ' O ' ' A' ' 223' ' ' HOH . 0.0 OUTLIER -80.84 160.31 66.76 Favored Pre-proline 0 C--O 1.241 0.642 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 169.013 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . 0.511 10.2 Cg_endo -67.64 132.18 26.33 Favored 'Trans proline' 0 C--N 1.316 -1.162 0 N-CA-C 107.758 -1.67 . . . . 0.0 107.758 -160.403 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.67 2.82 17.95 Favored Glycine 0 CA--C 1.53 0.987 1 N-CA-C 128.345 6.098 . . . . 0.0 128.345 -174.234 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.4 mmtm -114.13 -179.11 3.54 Favored 'General case' 0 C--O 1.241 0.613 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 -177.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.86 138.51 26.23 Favored Pre-proline 0 C--N 1.322 -0.59 1 N-CA-C 90.573 -7.566 . . . . 0.0 90.573 -160.554 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -34.2 140.65 0.07 OUTLIER 'Trans proline' 0 C--N 1.318 -1.042 1 N-CA-C 123.075 4.221 . . . . 0.0 123.075 151.418 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.9 tttp -126.55 129.43 48.58 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 -179.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 16.1 tp -64.06 111.63 2.62 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 120.587 3.551 . . . . 0.0 120.587 163.777 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 68.0 mt -93.35 -34.34 13.53 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 116.788 2.144 . . . . 0.0 116.788 178.594 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.2 mt -149.5 132.95 7.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 105.301 -2.111 . . . . 0.0 105.301 -169.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' TYR . . . . . 0.769 ' CB ' ' NE2' ' A' ' 55' ' ' GLN . 4.2 t80 -125.26 144.86 50.27 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 104.467 -2.42 . . . . 0.0 104.467 -167.839 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLU . . . . . 1.092 ' OE2' ' O ' ' A' ' 255' ' ' HOH . 3.7 tt0 44.67 59.79 3.2 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 -175.398 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 60.72 -50.2 0.1 Allowed 'General case' 0 C--N 1.315 -0.918 1 N-CA-C 124.937 5.162 . . . . 0.0 124.937 -174.344 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' SER . . . . . 0.622 ' OG ' ' O ' ' A' ' 257' ' ' HOH . 0.1 OUTLIER -106.86 -20.96 13.17 Favored 'General case' 0 N--CA 1.471 0.617 1 N-CA-C 127.898 6.259 . . . . 0.0 127.898 178.715 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -96.94 103.43 15.36 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.758 -157.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LEU . . . . . 1.5 ' N ' ' CA ' ' A' ' 54' ' ' LEU 0.523 6.4 mt -32.79 125.04 0.35 Allowed 'General case' 1 N--CA 1.687 11.375 1 C-N-CA 137.062 6.145 . . . . 0.0 105.543 161.454 . . . . . . . . 5 3 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLN . . . . . 0.769 ' NE2' ' CB ' ' A' ' 49' ' ' TYR . 1.1 tp60 -99.21 171.33 8.07 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 100.438 -3.912 . . . . 0.0 100.438 178.99 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.19 135.7 57.83 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 -169.396 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 66.82 4.14 25.24 Favored Glycine 0 N--CA 1.469 0.876 1 N-CA-C 127.88 5.912 . . . . 0.0 127.88 -173.249 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.8 t -86.86 137.21 33.61 Favored Pre-proline 0 C--N 1.318 -0.792 0 N-CA-C 100.853 -3.758 . . . . 0.0 100.853 -174.04 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . 0.262 23.4 Cg_endo -65.87 163.39 31.06 Favored 'Trans proline' 0 C--N 1.319 -0.997 0 N-CA-C 105.047 -2.713 . . . . 0.0 105.047 -166.428 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.4 -8.04 49.03 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -173.528 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ARG . . . . . 0.845 ' NH2' ' OD1' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -57.02 -19.69 19.99 Favored 'General case' 0 C--N 1.317 -0.811 1 N-CA-C 130.366 7.173 . . . . 0.0 130.366 150.845 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' PHE . . . . . 0.418 ' CD1' ' CZ ' ' A' ' 73' ' ' PHE . 14.0 m-85 -84.98 133.61 34.26 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 117.641 2.46 . . . . 0.0 117.641 157.914 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' SER . . . . . 0.544 ' OG ' ' O ' ' A' ' 247' ' ' HOH . 0.0 OUTLIER -137.47 154.48 49.89 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 103.665 -2.717 . . . . 0.0 103.665 169.336 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -118.49 151.99 17.6 Favored Glycine 0 CA--C 1.528 0.9 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 163.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.1 p -142.23 160.6 39.92 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 119.044 2.979 . . . . 0.0 119.044 157.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 157.05 152.81 6.43 Favored Glycine 0 C--N 1.298 -1.552 0 N-CA-C 120.667 3.027 . . . . 0.0 120.667 -175.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.8 p -149.41 158.26 44.02 Favored 'General case' 0 C--N 1.319 -0.739 1 N-CA-C 94.704 -6.036 . . . . 0.0 94.704 168.719 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.85 -109.7 2.85 Favored Glycine 0 N--CA 1.468 0.825 1 N-CA-C 128.807 6.283 . . . . 0.0 128.807 175.872 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.8 p -116.85 -19.87 9.68 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 104.817 -2.29 . . . . 0.0 104.817 -175.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -113.84 117.41 31.35 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 119.029 2.974 . . . . 0.0 119.029 -175.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -124.34 154.45 40.31 Favored 'General case' 0 C--N 1.312 -1.022 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 174.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.9 m -130.25 146.47 51.86 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.502 -176.021 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' PHE . . . . . 0.418 ' CZ ' ' CD1' ' A' ' 62' ' ' PHE . 64.6 t80 -128.93 126.72 40.25 Favored 'General case' 0 C--N 1.32 -0.706 1 N-CA-C 98.358 -4.682 . . . . 0.0 98.358 179.468 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.1 m -117.56 146.85 43.31 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.332 175.047 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 56.3 mt -121.38 107.07 19.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 1 N-CA-C 98.089 -4.782 . . . . 0.0 98.089 174.326 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' SER . . . . . 0.432 ' OG ' ' N ' ' A' ' 77' ' ' SER . 0.4 OUTLIER -60.56 -47.84 84.4 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 121.349 3.833 . . . . 0.0 121.349 179.011 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' SER . . . . . 0.432 ' N ' ' OG ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -131.47 111.87 12.17 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.648 166.121 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.1 tp -63.53 143.16 58.05 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.222 178.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -130.15 173.11 6.17 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.746 177.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . 0.624 2.3 Cg_endo -53.35 -30.26 51.66 Favored 'Trans proline' 0 C--N 1.321 -0.897 0 N-CA-C 117.524 2.086 . . . . 0.0 117.524 176.226 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' GLU . . . . . 0.498 ' OE2' ' N ' ' A' ' 81' ' ' GLU . 17.0 pm0 -104.95 9.12 34.69 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.542 -169.963 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ASP . . . . . 0.845 ' OD1' ' NH2' ' A' ' 61' ' ' ARG . 74.0 m-20 -86.34 -0.88 56.86 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 117.843 2.535 . . . . 0.0 117.843 166.709 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 33.4 mt -69.0 118.86 13.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 175.84 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -178.39 176.64 1.03 Allowed 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 -164.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 29.8 m -109.75 142.37 41.06 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 103.479 -2.786 . . . . 0.0 103.479 169.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -117.94 140.59 49.51 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.562 -174.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -129.38 140.16 51.45 Favored 'General case' 0 N--CA 1.494 1.729 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.76 -172.062 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 13.1 p -105.86 148.25 27.78 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.818 164.288 77.064 -133.307 -90.998 104.983 2.004 105.196 -153.101 -94.236 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.36 131.9 27.06 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 103.921 -2.622 . . . . 0.0 103.921 178.411 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -90.59 146.83 23.75 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 168.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -135.87 41.21 2.7 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 115.437 -0.801 . . . . 0.0 112.921 170.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -82.91 -48.56 10.58 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 179.948 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 88.7 p -133.72 156.47 47.89 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 173.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.7 mt -87.85 153.76 52.44 Favored Pre-proline 0 CA--C 1.507 -0.681 0 N-CA-C 115.019 1.488 . . . . 0.0 115.019 -178.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -56.17 148.84 24.98 Favored 'Cis proline' 0 C--N 1.317 -1.12 1 N-CA-C 137.015 9.583 . . . . 0.0 137.015 -26.629 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 17.6 m-30 -68.4 115.45 7.84 Favored 'General case' 0 C--O 1.243 0.729 0 N-CA-C 105.552 -2.018 . . . . 0.0 105.552 173.953 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' THR . . . . . 0.852 ' CG2' ' OD1' ' A' ' 1' ' ' ASP . 11.2 p -112.16 149.45 32.19 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 -176.308 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -100.95 158.33 16.07 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 179.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -73.12 168.9 53.45 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 108.547 -1.821 . . . . 0.0 108.547 157.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -11.24 60.59 Favored 'General case' 0 C--N 1.318 -0.775 1 N-CA-C 123.677 4.695 . . . . 0.0 123.677 -176.622 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 107.44 135.97 7.94 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 118.936 2.335 . . . . 0.0 118.936 -177.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 41.4 m -114.2 102.18 9.89 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 165.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.48 113.9 2.67 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 119.764 3.246 . . . . 0.0 119.764 155.676 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.46 132.81 45.64 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.637 174.918 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -126.67 158.93 35.1 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 105.565 -2.013 . . . . 0.0 105.565 -179.003 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -108.54 134.75 49.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 105.515 -2.031 . . . . 0.0 105.515 -177.716 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.321 -0.67 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.663 -166.231 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ASP . . . . . 0.811 ' CG ' ' N ' ' B' ' 2' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.549 0 N-CA-C 120.81 3.633 . . . . 0.0 120.81 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' ILE . . . . . 0.811 ' N ' ' CG ' ' B' ' 1' ' ' ASP . 2.3 mt -96.56 112.1 28.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 1 N-CA-C 96.054 -5.536 . . . . 0.0 96.054 163.087 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.42 130.53 36.19 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 174.149 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.22 128.41 55.91 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 118.043 2.609 . . . . 0.0 118.043 162.931 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 27.4 p -105.46 133.87 49.5 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.577 0.703 . . . . 0.0 110.989 171.24 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLN . . . . . 0.689 ' NE2' ' CD1' ' B' ' 21' ' ' ILE . 40.7 tt0 -117.92 134.7 54.7 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.09 -175.238 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 8.0 t -136.02 148.75 66.11 Favored Pre-proline 0 C--N 1.318 -0.794 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 -175.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -64.26 -175.05 4.72 Favored 'Cis proline' 0 C--N 1.318 -1.037 0 C-N-CA 120.912 -2.537 . . . . 0.0 117.142 -24.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 4.6 p -108.0 -14.79 14.67 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -178.138 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 1.4 t -152.12 147.99 27.11 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 170.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -152.78 134.69 14.74 Favored 'General case' 0 C--N 1.316 -0.873 1 N-CA-C 92.766 -6.753 . . . . 0.0 92.766 -159.079 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' SER . . . . . 0.456 ' OG ' ' CG2' ' B' ' 107' ' ' THR . 40.4 t -140.64 125.65 18.38 Favored 'General case' 0 C--N 1.294 -1.822 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.162 171.001 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -155.52 168.96 25.42 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 106.446 -1.687 . . . . 0.0 106.446 -158.369 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -114.29 160.82 18.63 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.365 -0.834 . . . . 0.0 108.855 -166.056 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.95 137.26 24.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 104.871 -2.27 . . . . 0.0 104.871 -170.621 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 96.93 -33.18 5.92 Favored Glycine 0 CA--C 1.531 1.059 1 N-CA-C 126.211 5.244 . . . . 0.0 126.211 -161.708 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -63.25 148.32 48.52 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 115.713 1.746 . . . . 0.0 115.713 -174.296 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.07 131.63 42.33 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 107.586 -1.264 . . . . 0.0 107.586 160.79 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -124.53 140.88 46.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 102.195 -3.261 . . . . 0.0 102.195 177.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 3.0 t -137.97 122.88 18.93 Favored 'General case' 0 CA--C 1.496 -1.099 0 N-CA-C 102.848 -3.019 . . . . 0.0 102.848 -177.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ILE . . . . . 0.689 ' CD1' ' NE2' ' B' ' 6' ' ' GLN . 0.1 OUTLIER -119.32 142.83 32.74 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.661 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 173.1 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 52.8 p -116.06 168.81 9.76 Favored 'General case' 0 N--CA 1.447 -0.619 1 N-CA-C 122.821 4.378 . . . . 0.0 122.821 173.596 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 52.2 t -145.39 123.05 11.81 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 103.683 -2.71 . . . . 0.0 103.683 -170.921 179.997 123.271 81.098 106.018 2.007 104.317 158.681 59.423 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -117.18 126.43 52.77 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 115.674 -0.693 . . . . 0.0 109.288 175.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.85 151.16 20.14 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 117.414 2.376 . . . . 0.0 117.414 162.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 3.6 p -83.98 -15.06 49.15 Favored 'General case' 0 N--CA 1.472 0.658 1 N-CA-C 138.666 10.247 . . . . 0.0 138.666 161.4 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -97.1 164.07 12.67 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 146.078 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' B' ' 30' ' ' ILE . 0.0 OUTLIER -78.59 126.92 31.41 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 103.276 -2.861 . . . . 0.0 103.276 171.28 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 8.4 pt -112.43 12.58 8.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 1 N-CA-C 98.244 -4.724 . . . . 0.0 98.244 -167.936 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ILE . . . . . 0.464 ' N ' ' OD1' ' B' ' 28' ' ' ASP . 1.5 mm 71.72 -66.9 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 117.952 2.575 . . . . 0.0 117.952 164.894 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' LYS . . . . . 0.814 ' NZ ' ' CD ' ' B' ' 50' ' ' GLU . 19.0 pttp -164.58 19.16 0.06 Allowed 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.951 161.772 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -96.01 76.02 3.09 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -165.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -136.52 115.47 12.29 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.316 -0.856 . . . . 0.0 108.829 -179.709 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -85.32 152.59 23.16 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 120.897 3.666 . . . . 0.0 120.897 161.035 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -115.61 128.53 56.01 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.241 -0.89 . . . . 0.0 112.437 172.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -112.03 147.87 35.05 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 174.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -114.06 131.93 56.2 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.738 165.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -119.37 111.49 18.23 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 115.615 1.709 . . . . 0.0 115.615 170.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 1.7 m -79.36 153.65 76.6 Favored Pre-proline 0 C--N 1.318 -0.772 0 N-CA-C 102.681 -3.081 . . . . 0.0 102.681 -179.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . 0.503 5.9 Cg_endo -58.43 120.04 7.68 Favored 'Trans proline' 0 C--N 1.319 -0.992 0 O-C-N 123.6 1.316 . . . . 0.0 113.372 179.531 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.31 -15.79 59.05 Favored Glycine 0 CA--C 1.529 0.924 0 N-CA-C 118.587 2.195 . . . . 0.0 118.587 179.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 34.7 mmtt -100.41 -176.19 3.14 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.443 -0.378 . . . . 0.0 111.958 -179.849 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.39 163.25 21.05 Favored Pre-proline 0 C--N 1.321 -0.655 1 N-CA-C 99.132 -4.396 . . . . 0.0 99.132 -175.082 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . 0.384 16.6 Cg_endo -57.93 143.31 96.23 Favored 'Trans proline' 0 C--N 1.323 -0.806 1 N-CA-C 124.921 4.931 . . . . 0.0 124.921 166.568 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -118.69 127.47 53.6 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 105.246 -2.131 . . . . 0.0 105.246 -177.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 63.7 tp -71.87 124.54 25.06 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.041 174.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 16.2 mt -101.47 -39.83 7.35 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.578 -177.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 6.3 mt -151.11 126.59 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 N-CA-C 103.393 -2.817 . . . . 0.0 103.393 -162.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -113.08 152.0 30.08 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 102.306 -3.22 . . . . 0.0 102.306 -175.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' GLU . . . . . 0.814 ' CD ' ' NZ ' ' B' ' 31' ' ' LYS . 3.3 mt-10 40.28 53.81 2.85 Favored 'General case' 0 N--CA 1.472 0.63 1 N-CA-C 122.833 4.383 . . . . 0.0 122.833 -174.242 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . 66.22 -52.72 0.41 Allowed 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 117.105 2.261 . . . . 0.0 117.105 -175.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.9 m -110.08 -16.73 13.74 Favored 'General case' 0 C--O 1.241 0.625 1 N-CA-C 125.645 5.424 . . . . 0.0 125.645 -174.621 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -91.13 97.92 11.44 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 118.64 2.83 . . . . 0.0 118.64 -168.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 12.7 tp -66.25 146.61 54.41 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.968 -175.79 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -103.85 169.72 8.35 Favored 'General case' 0 C--N 1.319 -0.748 1 N-CA-C 95.473 -5.751 . . . . 0.0 95.473 -152.88 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.86 138.18 40.93 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 124.573 1.171 . . . . 0.0 108.465 -177.707 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.31 -21.48 37.57 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 119.435 2.534 . . . . 0.0 119.435 -179.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 42.1 t -84.39 139.99 38.85 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 -171.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . 0.299 18.1 Cg_endo -55.22 147.95 52.43 Favored 'Trans proline' 0 C--N 1.314 -1.242 0 O-C-N 123.542 1.285 . . . . 0.0 112.239 -176.08 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 75.0 p -82.58 -8.04 59.62 Favored 'General case' 0 C--N 1.317 -0.832 0 O-C-N 123.475 0.484 . . . . 0.0 111.01 -176.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' ARG . . . . . 0.735 ' NH2' ' CG ' ' B' ' 79' ' ' GLN . 0.0 OUTLIER -61.59 -32.58 72.7 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 121.499 3.889 . . . . 0.0 121.499 163.978 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' PHE . . . . . 0.522 ' CD1' ' N ' ' B' ' 62' ' ' PHE . 3.5 m-30 -68.5 127.08 31.72 Favored 'General case' 0 C--N 1.32 -0.687 1 N-CA-C 126.705 5.817 . . . . 0.0 126.705 159.201 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.53 161.23 34.31 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.271 1.212 . . . . 0.0 114.271 173.868 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -142.46 137.47 7.83 Favored Glycine 0 CA--C 1.532 1.13 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 -179.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.4 p -145.26 177.93 8.45 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 119.929 3.307 . . . . 0.0 119.929 162.405 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.25 143.59 3.83 Favored Glycine 0 CA--C 1.532 1.098 0 N-CA-C 118.784 2.273 . . . . 0.0 118.784 -164.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 2.7 p -142.14 147.86 37.35 Favored 'General case' 0 C--O 1.24 0.592 1 N-CA-C 96.685 -5.302 . . . . 0.0 96.685 170.648 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.45 -101.62 1.65 Allowed Glycine 0 N--CA 1.469 0.9 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 165.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -121.58 -28.95 4.48 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 104.07 -2.567 . . . . 0.0 104.07 -155.406 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -115.92 127.22 54.81 Favored 'General case' 0 C--N 1.319 -0.736 1 N-CA-C 126.234 5.642 . . . . 0.0 126.234 -177.339 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -127.51 155.55 43.57 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.408 -0.815 . . . . 0.0 112.971 -173.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 18.6 p -137.97 154.48 49.36 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.343 -0.844 . . . . 0.0 112.321 173.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -128.99 126.72 40.17 Favored 'General case' 0 C--N 1.317 -0.825 1 N-CA-C 98.716 -4.55 . . . . 0.0 98.716 -178.596 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 91.2 m -112.0 135.38 52.72 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.268 -0.878 . . . . 0.0 112.378 174.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 80.2 mt -106.33 108.3 24.77 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.21 0 N-CA-C 101.691 -3.448 . . . . 0.0 101.691 163.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 15.4 p -60.57 -40.37 91.42 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 115.6 1.704 . . . . 0.0 115.6 -178.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 7.7 t -144.64 118.65 9.39 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.807 176.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 15.2 tp -80.5 137.29 36.43 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.417 -0.811 . . . . 0.0 108.941 -167.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' GLN . . . . . 0.735 ' CG ' ' NH2' ' B' ' 61' ' ' ARG . 21.6 mt-30 -128.91 164.96 35.26 Favored Pre-proline 0 C--N 1.319 -0.746 1 N-CA-C 98.868 -4.493 . . . . 0.0 98.868 -176.424 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' PRO . . . . . . . . . . . . 0.508 2.1 Cg_endo -59.38 -29.37 89.98 Favored 'Trans proline' 0 C--N 1.319 -0.977 0 N-CA-C 122.153 3.867 . . . . 0.0 122.153 -179.328 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.16 12.88 3.84 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 179.02 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -97.29 -11.82 23.64 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 174.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 61.4 mt -57.51 105.66 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.433 -0.803 . . . . 0.0 112.203 172.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -172.17 172.01 4.71 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 105.624 -1.991 . . . . 0.0 105.624 -165.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 58.9 m -103.29 140.23 37.68 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 167.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -117.06 133.38 56.08 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 104.706 -2.331 . . . . 0.0 104.706 -172.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -119.28 142.19 48.3 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 115.553 -0.748 . . . . 0.0 109.753 179.553 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 26.7 p -99.26 148.3 24.28 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.87 158.922 59.423 158.681 81.098 104.317 2.007 106.018 123.271 179.997 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -139.92 134.98 32.35 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.42 174.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.0 146.87 25.08 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 175.126 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' TYR . . . . . 0.425 ' CD2' ' O ' ' B' ' 91' ' ' TYR . 47.3 p90 -139.92 41.34 1.98 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.08 -1.452 . . . . 0.0 107.08 176.982 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.83 -46.36 30.85 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 173.599 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 24.8 p -147.63 152.15 37.4 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.317 178.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 15.9 mt -73.87 147.81 86.64 Favored Pre-proline 0 C--N 1.321 -0.643 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 -179.601 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -82.82 171.16 53.79 Favored 'Cis proline' 0 C--N 1.317 -1.101 0 C-N-CA 117.835 -3.819 . . . . 0.0 115.237 -3.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 19.6 m-30 -87.45 134.57 33.58 Favored 'General case' 0 C--N 1.316 -0.85 1 N-CA-C 94.083 -6.266 . . . . 0.0 94.083 -175.385 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 9.0 p -123.96 143.83 50.16 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 105.992 -1.855 . . . . 0.0 105.992 -179.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -99.89 150.16 22.67 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 105.346 -2.094 . . . . 0.0 105.346 178.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -61.55 170.39 9.91 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 107.483 -2.247 . . . . 0.0 107.483 158.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' GLN . . . . . 0.455 ' OE1' ' O ' ' B' ' 6' ' ' GLN . 0.0 OUTLIER -83.82 -9.6 58.65 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -176.884 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.79 140.57 11.4 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 120.58 2.992 . . . . 0.0 120.58 175.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' THR . . . . . 0.415 ' OG1' ' CD1' ' B' ' 21' ' ' ILE . 29.7 m -105.24 120.39 41.43 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 166.657 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -91.12 116.53 28.88 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 101.399 -3.556 . . . . 0.0 101.399 179.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 4.1 tt -102.76 122.45 44.51 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 105.351 -2.092 . . . . 0.0 105.351 178.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.26 164.42 14.25 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.301 172.503 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 1.3 mm -120.51 92.27 2.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 177.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' THR . . . . . 0.456 ' CG2' ' OG ' ' B' ' 12' ' ' SER . 36.4 p . . . . . 0 C--N 1.32 -0.689 1 N-CA-C 127.32 6.045 . . . . 0.0 127.32 163.779 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . 0.707 ' O ' ' CG2' ' A' ' 39' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 247' ' ' HOH . . . . . 0.544 ' O ' ' OG ' ' A' ' 63' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 254' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 255' ' ' HOH . . . . . 1.092 ' O ' ' OE2' ' A' ' 50' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 256' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 257' ' ' HOH . . . . . 0.622 ' O ' ' OG ' ' A' ' 52' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 261' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 262' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 266' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 259' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 260' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 263' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 265' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 267' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 268' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 269' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ASP . . . . . 1.113 ' CG ' ' H ' ' A' ' 2' ' ' ILE . 3.6 p-10 . . . . . 0 C--O 1.239 0.532 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ILE . . . . . 1.113 ' H ' ' CG ' ' A' ' 1' ' ' ASP . 3.7 mt -93.89 130.94 42.13 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 1 N-CA-C 95.076 -5.898 . . . . 0.0 95.076 172.868 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -97.5 141.99 29.89 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 179.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' MET . . . . . 0.536 ' HA ' ' HE3' ' A' ' 4' ' ' MET . 2.2 mmm -122.24 123.44 41.48 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 -173.503 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.4 m -108.63 115.79 30.77 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.738 -178.68 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLN . . . . . 0.411 HE21 HD13 ' A' ' 21' ' ' ILE . 35.7 tt0 -109.07 137.36 47.1 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.17 -173.706 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' SER . . . . . 0.432 ' HA ' ' HA ' ' A' ' 8' ' ' PRO . 8.4 t -151.27 147.82 21.23 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.382 -0.826 . . . . 0.0 112.283 179.622 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' PRO . . . . . 0.432 ' HA ' ' HA ' ' A' ' 7' ' ' SER . 59.1 Cg_endo -65.29 -176.34 6.82 Favored 'Cis proline' 0 C--N 1.317 -1.125 1 N-CA-C 128.475 6.298 . . . . 0.0 128.475 -23.377 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.9 p -102.87 -24.05 13.71 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 101.867 -3.383 . . . . 0.0 101.867 -167.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.18 159.46 38.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.282 171.228 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.2 tt -160.98 130.39 4.8 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 101.58 -3.489 . . . . 0.0 101.58 -160.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.5 m -114.38 130.82 56.71 Favored 'General case' 0 C--N 1.322 -0.62 1 N-CA-C 127.469 6.1 . . . . 0.0 127.469 150.456 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ALA . . . . . 0.567 ' HB3' HD22 ' A' ' 78' ' ' LEU . . . -132.83 -175.7 3.86 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 103.88 -2.637 . . . . 0.0 103.88 -179.558 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.6 p -138.71 169.07 18.45 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 100.336 -3.95 . . . . 0.0 100.336 177.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.6 m -84.22 151.31 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 1 N-CA-C 95.802 -5.629 . . . . 0.0 95.802 -147.546 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.0 -18.67 5.93 Favored Glycine 0 N--CA 1.47 0.928 1 N-CA-C 134.127 8.411 . . . . 0.0 134.127 -146.417 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ASP . . . . . 0.416 ' HB2' ' HB1' ' A' ' 13' ' ' ALA . 55.4 m-20 -77.42 162.83 26.91 Favored 'General case' 0 N--CA 1.519 3.021 0 C-N-CA 117.898 -1.521 . . . . 0.0 107.292 -169.122 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.5 ttp180 -92.14 131.13 37.63 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 104.791 -2.3 . . . . 0.0 104.791 165.91 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -119.69 140.99 41.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 103.052 -2.944 . . . . 0.0 103.052 173.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.2 m -130.98 122.75 27.41 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 105.346 -2.094 . . . . 0.0 105.346 175.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ILE . . . . . 0.621 HD11 ' CZ3' ' A' ' 35' ' ' TRP . 0.7 OUTLIER -118.32 136.07 56.67 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.134 0 N-CA-C 104.229 -2.508 . . . . 0.0 104.229 174.948 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 74.7 p -112.43 165.8 11.89 Favored 'General case' 0 C--N 1.316 -0.864 1 N-CA-C 122.338 4.199 . . . . 0.0 122.338 174.712 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m -140.27 125.68 18.95 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 171.911 -94.236 -153.101 -90.998 105.196 2.004 104.983 -133.307 77.064 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLN . . . . . 0.502 ' HA ' ' O ' ' A' ' 69' ' ' THR . 5.0 mt-30 -102.97 138.15 40.23 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 121.025 3.713 . . . . 0.0 121.025 165.687 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ALA . . . . . 0.407 ' HB2' ' CD1' ' A' ' 29' ' ' ILE . . . -102.7 157.24 17.09 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 104.949 -2.241 . . . . 0.0 104.949 178.726 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.5 p -96.38 6.66 48.3 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 -170.931 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -157.84 142.47 16.37 Favored 'General case' 0 C--O 1.241 0.637 1 N-CA-C 97.516 -4.994 . . . . 0.0 97.516 -174.231 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -39.36 107.77 0.07 Allowed 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 120.835 3.642 . . . . 0.0 120.835 154.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ILE . . . . . 0.407 ' CD1' ' HB2' ' A' ' 25' ' ' ALA . 3.2 pt -111.66 9.36 8.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 102.424 -3.176 . . . . 0.0 102.424 -178.734 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ILE . . . . . 0.697 HG22 ' N ' ' A' ' 31' ' ' LYS . 82.4 mt 79.25 -77.94 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-O 120.851 0.358 . . . . 0.0 110.673 154.431 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LYS . . . . . 0.697 ' N ' HG22 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -145.57 20.85 1.5 Allowed 'General case' 0 C--N 1.32 -0.691 1 N-CA-C 127.562 6.134 . . . . 0.0 127.562 150.163 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -104.11 88.63 3.05 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 103.538 -2.764 . . . . 0.0 103.538 -151.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -143.47 133.21 23.83 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.266 -0.879 . . . . 0.0 112.782 -179.072 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ASN . . . . . 0.432 ' HB2' ' HG2' ' A' ' 89' ' ' GLN . 67.3 m-20 -113.92 143.3 44.93 Favored 'General case' 0 CA--C 1.502 -0.889 0 N-CA-C 103.009 -2.959 . . . . 0.0 103.009 -171.161 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' TRP . . . . . 0.621 ' CZ3' HD11 ' A' ' 21' ' ' ILE . 87.7 m95 -112.34 131.31 55.6 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.748 173.612 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' TYR . . . . . 0.466 ' HB2' ' HB2' ' A' ' 87' ' ' TYR . 49.1 m-85 -116.9 149.42 40.14 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 -173.198 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLN . . . . . 0.652 ' HB2' HD11 ' A' ' 47' ' ' LEU . 32.7 tt0 -120.08 137.19 54.27 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 169.586 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -135.8 107.19 6.85 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.758 177.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' THR . . . . . 0.91 HG23 ' O ' ' A' ' 223' ' ' HOH . 0.0 OUTLIER -80.84 160.31 66.76 Favored Pre-proline 0 C--O 1.241 0.642 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 169.013 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 40' ' ' PRO . . . . . 0.636 ' HD2' HG22 ' A' ' 39' ' ' THR 0.511 10.2 Cg_endo -67.64 132.18 26.33 Favored 'Trans proline' 0 C--N 1.316 -1.162 0 N-CA-C 107.758 -1.67 . . . . 0.0 107.758 -160.403 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.67 2.82 17.95 Favored Glycine 0 CA--C 1.53 0.987 1 N-CA-C 128.345 6.098 . . . . 0.0 128.345 -174.234 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.4 mmtm -114.13 -179.11 3.54 Favored 'General case' 0 C--O 1.241 0.613 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 -177.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.86 138.51 26.23 Favored Pre-proline 0 C--N 1.322 -0.59 1 N-CA-C 90.573 -7.566 . . . . 0.0 90.573 -160.554 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -34.2 140.65 0.07 OUTLIER 'Trans proline' 0 C--N 1.318 -1.042 1 N-CA-C 123.075 4.221 . . . . 0.0 123.075 151.418 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.9 tttp -126.55 129.43 48.58 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 -179.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LEU . . . . . 0.501 HD23 ' HG2' ' A' ' 55' ' ' GLN . 16.1 tp -64.06 111.63 2.62 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 120.587 3.551 . . . . 0.0 120.587 163.777 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' LEU . . . . . 0.652 HD11 ' HB2' ' A' ' 37' ' ' GLN . 68.0 mt -93.35 -34.34 13.53 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 116.788 2.144 . . . . 0.0 116.788 178.594 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.2 mt -149.5 132.95 7.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 105.301 -2.111 . . . . 0.0 105.301 -169.282 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' TYR . . . . . 0.748 ' HB3' ' OE1' ' A' ' 55' ' ' GLN . 4.2 t80 -125.26 144.86 50.27 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 104.467 -2.42 . . . . 0.0 104.467 -167.839 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLU . . . . . 1.092 ' OE2' ' O ' ' A' ' 255' ' ' HOH . 3.7 tt0 44.67 59.79 3.2 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 -175.398 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 50' ' ' GLU . . . 60.72 -50.2 0.1 Allowed 'General case' 0 C--N 1.315 -0.918 1 N-CA-C 124.937 5.162 . . . . 0.0 124.937 -174.344 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 52' ' ' SER . . . . . 0.622 ' OG ' ' O ' ' A' ' 257' ' ' HOH . 0.1 OUTLIER -106.86 -20.96 13.17 Favored 'General case' 0 N--CA 1.471 0.617 1 N-CA-C 127.898 6.259 . . . . 0.0 127.898 178.715 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -96.94 103.43 15.36 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.758 -157.305 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LEU . . . . . 1.5 ' N ' ' CA ' ' A' ' 54' ' ' LEU 0.523 6.4 mt -32.79 125.04 0.35 Allowed 'General case' 1 N--CA 1.687 11.375 1 C-N-CA 137.062 6.145 . . . . 0.0 105.543 161.454 . . . . . . . . 5 3 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLN . . . . . 0.933 HE21 ' HA ' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -99.21 171.33 8.07 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 100.438 -3.912 . . . . 0.0 100.438 178.99 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.19 135.7 57.83 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 -169.396 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 66.82 4.14 25.24 Favored Glycine 0 N--CA 1.469 0.876 1 N-CA-C 127.88 5.912 . . . . 0.0 127.88 -173.249 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.8 t -86.86 137.21 33.61 Favored Pre-proline 0 C--N 1.318 -0.792 0 N-CA-C 100.853 -3.758 . . . . 0.0 100.853 -174.04 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' PRO . . . . . 0.87 ' HG2' ' HE2' ' A' ' 62' ' ' PHE 0.262 23.4 Cg_endo -65.87 163.39 31.06 Favored 'Trans proline' 0 C--N 1.319 -0.997 0 N-CA-C 105.047 -2.713 . . . . 0.0 105.047 -166.428 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.4 -8.04 49.03 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -173.528 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ARG . . . . . 0.845 ' NH2' ' OD1' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -57.02 -19.69 19.99 Favored 'General case' 0 C--N 1.317 -0.811 1 N-CA-C 130.366 7.173 . . . . 0.0 130.366 150.845 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 62' ' ' PHE . . . . . 0.87 ' HE2' ' HG2' ' A' ' 59' ' ' PRO . 14.0 m-85 -84.98 133.61 34.26 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 117.641 2.46 . . . . 0.0 117.641 157.914 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' SER . . . . . 0.544 ' OG ' ' O ' ' A' ' 247' ' ' HOH . 0.0 OUTLIER -137.47 154.48 49.89 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 103.665 -2.717 . . . . 0.0 103.665 169.336 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -118.49 151.99 17.6 Favored Glycine 0 CA--C 1.528 0.9 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 163.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.1 p -142.23 160.6 39.92 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 119.044 2.979 . . . . 0.0 119.044 157.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLY . . . . . 0.458 ' HA3' ' CD2' ' A' ' 71' ' ' TYR . . . 157.05 152.81 6.43 Favored Glycine 0 C--N 1.298 -1.552 0 N-CA-C 120.667 3.027 . . . . 0.0 120.667 -175.113 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.8 p -149.41 158.26 44.02 Favored 'General case' 0 C--N 1.319 -0.739 1 N-CA-C 94.704 -6.036 . . . . 0.0 94.704 168.719 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.85 -109.7 2.85 Favored Glycine 0 N--CA 1.468 0.825 1 N-CA-C 128.807 6.283 . . . . 0.0 128.807 175.872 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' THR . . . . . 0.502 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 11.8 p -116.85 -19.87 9.68 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 104.817 -2.29 . . . . 0.0 104.817 -175.812 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -113.84 117.41 31.35 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 119.029 2.974 . . . . 0.0 119.029 -175.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' TYR . . . . . 0.458 ' CD2' ' HA3' ' A' ' 66' ' ' GLY . 40.1 m-85 -124.34 154.45 40.31 Favored 'General case' 0 C--N 1.312 -1.022 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 174.967 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.9 m -130.25 146.47 51.86 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.502 -176.021 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' PHE . . . . . 0.526 ' CZ ' ' HD1' ' A' ' 62' ' ' PHE . 64.6 t80 -128.93 126.72 40.25 Favored 'General case' 0 C--N 1.32 -0.706 1 N-CA-C 98.358 -4.682 . . . . 0.0 98.358 179.468 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.1 m -117.56 146.85 43.31 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.332 175.047 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 56.3 mt -121.38 107.07 19.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 1 N-CA-C 98.089 -4.782 . . . . 0.0 98.089 174.326 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' SER . . . . . 0.432 ' OG ' ' N ' ' A' ' 77' ' ' SER . 0.4 OUTLIER -60.56 -47.84 84.4 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 121.349 3.833 . . . . 0.0 121.349 179.011 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 77' ' ' SER . . . . . 0.432 ' N ' ' OG ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -131.47 111.87 12.17 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.648 166.121 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 78' ' ' LEU . . . . . 0.567 HD22 ' HB3' ' A' ' 13' ' ' ALA . 13.1 tp -63.53 143.16 58.05 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.222 178.974 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -130.15 173.11 6.17 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.746 177.159 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . 0.624 2.3 Cg_endo -53.35 -30.26 51.66 Favored 'Trans proline' 0 C--N 1.321 -0.897 0 N-CA-C 117.524 2.086 . . . . 0.0 117.524 176.226 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' GLU . . . . . 0.481 ' OE2' ' N ' ' A' ' 81' ' ' GLU . 17.0 pm0 -104.95 9.12 34.69 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.542 -169.963 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ASP . . . . . 0.845 ' OD1' ' NH2' ' A' ' 61' ' ' ARG . 74.0 m-20 -86.34 -0.88 56.86 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 117.843 2.535 . . . . 0.0 117.843 166.709 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 33.4 mt -69.0 118.86 13.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 175.84 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -178.39 176.64 1.03 Allowed 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 -164.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 29.8 m -109.75 142.37 41.06 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 103.479 -2.786 . . . . 0.0 103.479 169.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -117.94 140.59 49.51 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.562 -174.703 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' TYR . . . . . 0.466 ' HB2' ' HB2' ' A' ' 36' ' ' TYR . 76.5 m-85 -129.38 140.16 51.45 Favored 'General case' 0 N--CA 1.494 1.729 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.76 -172.062 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 13.1 p -105.86 148.25 27.78 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.818 164.288 77.064 -133.307 -90.998 104.983 2.004 105.196 -153.101 -94.236 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' GLN . . . . . 0.432 ' HG2' ' HB2' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -140.36 131.9 27.06 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 103.921 -2.622 . . . . 0.0 103.921 178.411 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -90.59 146.83 23.75 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 168.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -135.87 41.21 2.7 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 115.437 -0.801 . . . . 0.0 112.921 170.533 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 19.8 tm0? -82.91 -48.56 10.58 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 179.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 88.7 p -133.72 156.47 47.89 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 173.461 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' LEU . . . . . 0.511 ' HB3' ' NE2' ' B' ' 55' ' ' GLN . 6.7 mt -87.85 153.76 52.44 Favored Pre-proline 0 CA--C 1.507 -0.681 0 N-CA-C 115.019 1.488 . . . . 0.0 115.019 -178.897 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -56.17 148.84 24.98 Favored 'Cis proline' 0 C--N 1.317 -1.12 1 N-CA-C 137.015 9.583 . . . . 0.0 137.015 -26.629 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 17.6 m-30 -68.4 115.45 7.84 Favored 'General case' 0 C--O 1.243 0.729 0 N-CA-C 105.552 -2.018 . . . . 0.0 105.552 173.953 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' THR . . . . . 1.019 HG21 ' OD1' ' A' ' 1' ' ' ASP . 11.2 p -112.16 149.45 32.19 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 -176.308 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -100.95 158.33 16.07 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 179.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -73.12 168.9 53.45 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 108.547 -1.821 . . . . 0.0 108.547 157.814 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -72.47 -11.24 60.59 Favored 'General case' 0 C--N 1.318 -0.775 1 N-CA-C 123.677 4.695 . . . . 0.0 123.677 -176.622 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 107.44 135.97 7.94 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 118.936 2.335 . . . . 0.0 118.936 -177.194 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 41.4 m -114.2 102.18 9.89 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 165.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.48 113.9 2.67 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 119.764 3.246 . . . . 0.0 119.764 155.676 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.46 132.81 45.64 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.637 174.918 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -126.67 158.93 35.1 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 105.565 -2.013 . . . . 0.0 105.565 -179.003 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ILE . . . . . 0.592 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.8 OUTLIER -108.54 134.75 49.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 105.515 -2.031 . . . . 0.0 105.515 -177.716 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 107' ' ' THR . . . . . 0.476 ' HB ' ' O ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.321 -0.67 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.663 -166.231 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ASP . . . . . 0.811 ' CG ' ' N ' ' B' ' 2' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.549 0 N-CA-C 120.81 3.633 . . . . 0.0 120.81 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 2' ' ' ILE . . . . . 0.811 ' N ' ' CG ' ' B' ' 1' ' ' ASP . 2.3 mt -96.56 112.1 28.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 1 N-CA-C 96.054 -5.536 . . . . 0.0 96.054 163.087 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -78.42 130.53 36.19 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 174.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' MET . . . . . 0.591 ' HE1' ' HB2' ' B' ' 25' ' ' ALA . 0.0 OUTLIER -111.22 128.41 55.91 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 118.043 2.609 . . . . 0.0 118.043 162.931 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 5' ' ' THR . . . . . 0.435 HG23 ' O ' ' B' ' 239' ' ' HOH . 27.4 p -105.46 133.87 49.5 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.577 0.703 . . . . 0.0 110.989 171.24 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLN . . . . . 0.614 ' OE1' HD11 ' B' ' 21' ' ' ILE . 7.7 tt0 -117.92 134.7 54.7 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.09 -175.238 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 8.0 t -136.02 148.75 66.11 Favored Pre-proline 0 C--N 1.318 -0.794 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 -175.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' PRO . . . . . 0.428 ' HG3' HD23 ' B' ' 11' ' ' LEU . 91.8 Cg_endo -64.26 -175.05 4.72 Favored 'Cis proline' 0 C--N 1.318 -1.037 0 C-N-CA 120.912 -2.537 . . . . 0.0 117.142 -24.137 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 4.6 p -108.0 -14.79 14.67 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -178.138 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 1.4 t -152.12 147.99 27.11 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 170.066 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' LEU . . . . . 0.476 HD13 ' N ' ' B' ' 12' ' ' SER . 0.5 OUTLIER -152.78 134.69 14.74 Favored 'General case' 0 C--N 1.316 -0.873 1 N-CA-C 92.766 -6.753 . . . . 0.0 92.766 -159.079 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 12' ' ' SER . . . . . 0.791 ' OG ' HG23 ' B' ' 107' ' ' THR . 40.4 t -140.64 125.65 18.38 Favored 'General case' 0 C--N 1.294 -1.822 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.162 171.001 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -155.52 168.96 25.42 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 106.446 -1.687 . . . . 0.0 106.446 -158.369 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -114.29 160.82 18.63 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.365 -0.834 . . . . 0.0 108.855 -166.056 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.95 137.26 24.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 104.871 -2.27 . . . . 0.0 104.871 -170.621 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 96.93 -33.18 5.92 Favored Glycine 0 CA--C 1.531 1.059 1 N-CA-C 126.211 5.244 . . . . 0.0 126.211 -161.708 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -63.25 148.32 48.52 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 115.713 1.746 . . . . 0.0 115.713 -174.296 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.07 131.63 42.33 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 107.586 -1.264 . . . . 0.0 107.586 160.79 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -124.53 140.88 46.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 102.195 -3.261 . . . . 0.0 102.195 177.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 3.0 t -137.97 122.88 18.93 Favored 'General case' 0 CA--C 1.496 -1.099 0 N-CA-C 102.848 -3.019 . . . . 0.0 102.848 -177.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ILE . . . . . 0.614 HD11 ' OE1' ' B' ' 6' ' ' GLN . 0.1 OUTLIER -119.32 142.83 32.74 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.661 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 173.1 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 22' ' ' THR . . . . . 0.586 HG22 HG22 ' B' ' 72' ' ' THR . 52.8 p -116.06 168.81 9.76 Favored 'General case' 0 N--CA 1.447 -0.619 1 N-CA-C 122.821 4.378 . . . . 0.0 122.821 173.596 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 52.2 t -145.39 123.05 11.81 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 103.683 -2.71 . . . . 0.0 103.683 -170.921 179.997 123.271 81.098 106.018 2.007 104.317 158.681 59.423 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -117.18 126.43 52.77 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 115.674 -0.693 . . . . 0.0 109.288 175.767 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ALA . . . . . 0.591 ' HB2' ' HE1' ' B' ' 4' ' ' MET . . . -92.85 151.16 20.14 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 117.414 2.376 . . . . 0.0 117.414 162.362 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 3.6 p -83.98 -15.06 49.15 Favored 'General case' 0 N--CA 1.472 0.658 1 N-CA-C 138.666 10.247 . . . . 0.0 138.666 161.4 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -97.1 164.07 12.67 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 146.078 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' B' ' 30' ' ' ILE . 0.0 OUTLIER -78.59 126.92 31.41 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 103.276 -2.861 . . . . 0.0 103.276 171.28 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 8.4 pt -112.43 12.58 8.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 1 N-CA-C 98.244 -4.724 . . . . 0.0 98.244 -167.936 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ILE . . . . . 0.464 ' N ' ' OD1' ' B' ' 28' ' ' ASP . 1.5 mm 71.72 -66.9 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 117.952 2.575 . . . . 0.0 117.952 164.894 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 31' ' ' LYS . . . . . 0.983 ' HZ3' ' CD ' ' B' ' 50' ' ' GLU . 19.0 pttp -164.58 19.16 0.06 Allowed 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.951 161.772 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -96.01 76.02 3.09 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -165.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' LEU . . . . . 0.504 HD22 ' CG ' ' B' ' 71' ' ' TYR . 0.7 OUTLIER -136.52 115.47 12.29 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.316 -0.856 . . . . 0.0 108.829 -179.709 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -85.32 152.59 23.16 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 120.897 3.666 . . . . 0.0 120.897 161.035 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -115.61 128.53 56.01 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.241 -0.89 . . . . 0.0 112.437 172.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -112.03 147.87 35.05 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 174.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -114.06 131.93 56.2 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.738 165.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -119.37 111.49 18.23 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 115.615 1.709 . . . . 0.0 115.615 170.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 1.7 m -79.36 153.65 76.6 Favored Pre-proline 0 C--N 1.318 -0.772 0 N-CA-C 102.681 -3.081 . . . . 0.0 102.681 -179.382 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . 0.503 5.9 Cg_endo -58.43 120.04 7.68 Favored 'Trans proline' 0 C--N 1.319 -0.992 0 O-C-N 123.6 1.316 . . . . 0.0 113.372 179.531 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.31 -15.79 59.05 Favored Glycine 0 CA--C 1.529 0.924 0 N-CA-C 118.587 2.195 . . . . 0.0 118.587 179.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 34.7 mmtt -100.41 -176.19 3.14 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.443 -0.378 . . . . 0.0 111.958 -179.849 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.39 163.25 21.05 Favored Pre-proline 0 C--N 1.321 -0.655 1 N-CA-C 99.132 -4.396 . . . . 0.0 99.132 -175.082 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . 0.384 16.6 Cg_endo -57.93 143.31 96.23 Favored 'Trans proline' 0 C--N 1.323 -0.806 1 N-CA-C 124.921 4.931 . . . . 0.0 124.921 166.568 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -118.69 127.47 53.6 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 105.246 -2.131 . . . . 0.0 105.246 -177.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 63.7 tp -71.87 124.54 25.06 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.041 174.673 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 16.2 mt -101.47 -39.83 7.35 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.578 -177.116 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 6.3 mt -151.11 126.59 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 N-CA-C 103.393 -2.817 . . . . 0.0 103.393 -162.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -113.08 152.0 30.08 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 102.306 -3.22 . . . . 0.0 102.306 -175.932 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' GLU . . . . . 0.983 ' CD ' ' HZ3' ' B' ' 31' ' ' LYS . 3.3 mt-10 40.28 53.81 2.85 Favored 'General case' 0 N--CA 1.472 0.63 1 N-CA-C 122.833 4.383 . . . . 0.0 122.833 -174.242 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 51' ' ' ALA . . . . . 0.623 ' HB3' ' O ' ' B' ' 50' ' ' GLU . . . 66.22 -52.72 0.41 Allowed 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 117.105 2.261 . . . . 0.0 117.105 -175.261 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.9 m -110.08 -16.73 13.74 Favored 'General case' 0 C--O 1.241 0.625 1 N-CA-C 125.645 5.424 . . . . 0.0 125.645 -174.621 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -91.13 97.92 11.44 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 118.64 2.83 . . . . 0.0 118.64 -168.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 12.7 tp -66.25 146.61 54.41 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.968 -175.79 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' GLN . . . . . 0.511 ' NE2' ' HB3' ' A' ' 94' ' ' LEU . 8.2 tp60 -103.85 169.72 8.35 Favored 'General case' 0 C--N 1.319 -0.748 1 N-CA-C 95.473 -5.751 . . . . 0.0 95.473 -152.88 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.86 138.18 40.93 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 124.573 1.171 . . . . 0.0 108.465 -177.707 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.31 -21.48 37.57 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 119.435 2.534 . . . . 0.0 119.435 -179.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' VAL . . . . . 0.419 HG13 ' HD2' ' B' ' 59' ' ' PRO . 42.1 t -84.39 139.99 38.85 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 -171.763 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 59' ' ' PRO . . . . . 0.419 ' HD2' HG13 ' B' ' 58' ' ' VAL 0.299 18.1 Cg_endo -55.22 147.95 52.43 Favored 'Trans proline' 0 C--N 1.314 -1.242 0 O-C-N 123.542 1.285 . . . . 0.0 112.239 -176.08 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 75.0 p -82.58 -8.04 59.62 Favored 'General case' 0 C--N 1.317 -0.832 0 O-C-N 123.475 0.484 . . . . 0.0 111.01 -176.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' ARG . . . . . 0.976 HH22 ' HB2' ' B' ' 79' ' ' GLN . 0.0 OUTLIER -61.59 -32.58 72.7 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 121.499 3.889 . . . . 0.0 121.499 163.978 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 62' ' ' PHE . . . . . 0.522 ' CD1' ' N ' ' B' ' 62' ' ' PHE . 3.5 m-30 -68.5 127.08 31.72 Favored 'General case' 0 C--N 1.32 -0.687 1 N-CA-C 126.705 5.817 . . . . 0.0 126.705 159.201 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.53 161.23 34.31 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.271 1.212 . . . . 0.0 114.271 173.868 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -142.46 137.47 7.83 Favored Glycine 0 CA--C 1.532 1.13 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 -179.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.4 p -145.26 177.93 8.45 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 119.929 3.307 . . . . 0.0 119.929 162.405 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' GLY . . . . . 0.579 ' HA3' ' CD2' ' B' ' 71' ' ' TYR . . . 148.25 143.59 3.83 Favored Glycine 0 CA--C 1.532 1.098 0 N-CA-C 118.784 2.273 . . . . 0.0 118.784 -164.696 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 2.7 p -142.14 147.86 37.35 Favored 'General case' 0 C--O 1.24 0.592 1 N-CA-C 96.685 -5.302 . . . . 0.0 96.685 170.648 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.45 -101.62 1.65 Allowed Glycine 0 N--CA 1.469 0.9 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 165.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -121.58 -28.95 4.48 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 104.07 -2.567 . . . . 0.0 104.07 -155.406 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -115.92 127.22 54.81 Favored 'General case' 0 C--N 1.319 -0.736 1 N-CA-C 126.234 5.642 . . . . 0.0 126.234 -177.339 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 71' ' ' TYR . . . . . 0.579 ' CD2' ' HA3' ' B' ' 66' ' ' GLY . 83.4 m-85 -127.51 155.55 43.57 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.408 -0.815 . . . . 0.0 112.971 -173.069 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 72' ' ' THR . . . . . 0.586 HG22 HG22 ' B' ' 22' ' ' THR . 18.6 p -137.97 154.48 49.36 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.343 -0.844 . . . . 0.0 112.321 173.441 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -128.99 126.72 40.17 Favored 'General case' 0 C--N 1.317 -0.825 1 N-CA-C 98.716 -4.55 . . . . 0.0 98.716 -178.596 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 91.2 m -112.0 135.38 52.72 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.268 -0.878 . . . . 0.0 112.378 174.693 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 80.2 mt -106.33 108.3 24.77 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.21 0 N-CA-C 101.691 -3.448 . . . . 0.0 101.691 163.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 15.4 p -60.57 -40.37 91.42 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 115.6 1.704 . . . . 0.0 115.6 -178.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 7.7 t -144.64 118.65 9.39 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.807 176.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' LEU . . . . . 0.417 HD23 HD13 ' B' ' 106' ' ' ILE . 15.2 tp -80.5 137.29 36.43 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.417 -0.811 . . . . 0.0 108.941 -167.544 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 79' ' ' GLN . . . . . 0.976 ' HB2' HH22 ' B' ' 61' ' ' ARG . 72.0 mt-30 -128.91 164.96 35.26 Favored Pre-proline 0 C--N 1.319 -0.746 1 N-CA-C 98.868 -4.493 . . . . 0.0 98.868 -176.424 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 80' ' ' PRO . . . . . . . . . . . . 0.508 2.1 Cg_endo -59.38 -29.37 89.98 Favored 'Trans proline' 0 C--N 1.319 -0.977 0 N-CA-C 122.153 3.867 . . . . 0.0 122.153 -179.328 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.16 12.88 3.84 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 179.02 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -97.29 -11.82 23.64 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 174.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 61.4 mt -57.51 105.66 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.433 -0.803 . . . . 0.0 112.203 172.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -172.17 172.01 4.71 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 105.624 -1.991 . . . . 0.0 105.624 -165.375 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 58.9 m -103.29 140.23 37.68 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 167.636 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -117.06 133.38 56.08 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 104.706 -2.331 . . . . 0.0 104.706 -172.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -119.28 142.19 48.3 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 115.553 -0.748 . . . . 0.0 109.753 179.553 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 26.7 p -99.26 148.3 24.28 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.87 158.922 59.423 158.681 81.098 104.317 2.007 106.018 123.271 179.997 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -139.92 134.98 32.35 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.42 174.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -98.0 146.87 25.08 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 175.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 91' ' ' TYR . . . . . 0.425 ' CD2' ' O ' ' B' ' 91' ' ' TYR . 47.3 p90 -139.92 41.34 1.98 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.08 -1.452 . . . . 0.0 107.08 176.982 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.83 -46.36 30.85 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 173.599 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 24.8 p -147.63 152.15 37.4 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.317 178.136 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 15.9 mt -73.87 147.81 86.64 Favored Pre-proline 0 C--N 1.321 -0.643 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 -179.601 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -82.82 171.16 53.79 Favored 'Cis proline' 0 C--N 1.317 -1.101 0 C-N-CA 117.835 -3.819 . . . . 0.0 115.237 -3.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 19.6 m-30 -87.45 134.57 33.58 Favored 'General case' 0 C--N 1.316 -0.85 1 N-CA-C 94.083 -6.266 . . . . 0.0 94.083 -175.385 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 9.0 p -123.96 143.83 50.16 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 105.992 -1.855 . . . . 0.0 105.992 -179.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 98' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -99.89 150.16 22.67 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 105.346 -2.094 . . . . 0.0 105.346 178.336 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -61.55 170.39 9.91 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 107.483 -2.247 . . . . 0.0 107.483 158.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 100' ' ' GLN . . . . . 0.571 ' NE2' ' O ' ' B' ' 6' ' ' GLN . 2.8 pm0 -83.82 -9.6 58.65 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -176.884 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.79 140.57 11.4 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 120.58 2.992 . . . . 0.0 120.58 175.932 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' THR . . . . . 0.415 ' OG1' ' CD1' ' B' ' 21' ' ' ILE . 29.7 m -105.24 120.39 41.43 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 166.657 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -91.12 116.53 28.88 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 101.399 -3.556 . . . . 0.0 101.399 179.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 4.1 tt -102.76 122.45 44.51 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 105.351 -2.092 . . . . 0.0 105.351 178.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.26 164.42 14.25 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.301 172.503 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 106' ' ' ILE . . . . . 0.601 HG22 ' O ' ' B' ' 106' ' ' ILE . 1.3 mm -120.51 92.27 2.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 177.876 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 107' ' ' THR . . . . . 0.791 HG23 ' OG ' ' B' ' 12' ' ' SER . 36.4 p . . . . . 0 C--N 1.32 -0.689 1 N-CA-C 127.32 6.045 . . . . 0.0 127.32 163.779 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . 0.91 ' O ' HG23 ' A' ' 39' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 247' ' ' HOH . . . . . 0.544 ' O ' ' OG ' ' A' ' 63' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 254' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 255' ' ' HOH . . . . . 1.092 ' O ' ' OE2' ' A' ' 50' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 256' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 257' ' ' HOH . . . . . 0.622 ' O ' ' OG ' ' A' ' 52' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 261' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 262' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 266' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 239' ' ' HOH . . . . . 0.435 ' O ' HG23 ' B' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 259' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 260' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 263' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 265' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 267' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 268' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 269' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ASP . . . . . 1.113 ' CG ' ' H ' ' A' ' 2' ' ' ILE . 3.6 p-10 . . . . . 0 C--O 1.239 0.532 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ILE . . . . . 1.113 ' H ' ' CG ' ' A' ' 1' ' ' ASP . 3.7 mt -93.89 130.94 42.13 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 1 N-CA-C 95.076 -5.898 . . . . 0.0 95.076 172.868 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.401 HE21 ' HB3' ' A' ' 3' ' ' GLN . 0.0 OUTLIER -97.5 141.99 29.89 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 179.549 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' MET . . . . . 0.536 ' HA ' ' HE3' ' A' ' 4' ' ' MET . 2.2 mmm -122.24 123.44 41.48 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 -173.503 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.4 m -108.63 115.79 30.77 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.738 -178.68 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -109.07 137.36 47.1 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.17 -173.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' SER . . . . . 0.432 ' HA ' ' HA ' ' A' ' 8' ' ' PRO . 8.4 t -151.27 147.82 21.23 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.382 -0.826 . . . . 0.0 112.283 179.622 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.432 ' HA ' ' HA ' ' A' ' 7' ' ' SER . 59.1 Cg_endo -65.29 -176.34 6.82 Favored 'Cis proline' 0 C--N 1.317 -1.125 1 N-CA-C 128.475 6.298 . . . . 0.0 128.475 -23.377 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.9 p -102.87 -24.05 13.71 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 101.867 -3.383 . . . . 0.0 101.867 -167.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.18 159.46 38.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.282 171.228 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.2 tt -160.98 130.39 4.8 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 101.58 -3.489 . . . . 0.0 101.58 -160.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.5 m -114.38 130.82 56.71 Favored 'General case' 0 C--N 1.322 -0.62 1 N-CA-C 127.469 6.1 . . . . 0.0 127.469 150.456 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.567 ' HB3' HD22 ' A' ' 78' ' ' LEU . . . -132.83 -175.7 3.86 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 103.88 -2.637 . . . . 0.0 103.88 -179.558 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.6 p -138.71 169.07 18.45 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 100.336 -3.95 . . . . 0.0 100.336 177.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.6 m -84.22 151.31 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 1 N-CA-C 95.802 -5.629 . . . . 0.0 95.802 -147.546 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.0 -18.67 5.93 Favored Glycine 0 N--CA 1.47 0.928 1 N-CA-C 134.127 8.411 . . . . 0.0 134.127 -146.417 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.416 ' HB2' ' HB1' ' A' ' 13' ' ' ALA . 55.4 m-20 -77.42 162.83 26.91 Favored 'General case' 0 N--CA 1.519 3.021 0 C-N-CA 117.898 -1.521 . . . . 0.0 107.292 -169.122 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.5 ttp180 -92.14 131.13 37.63 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 104.791 -2.3 . . . . 0.0 104.791 165.91 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -119.69 140.99 41.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 103.052 -2.944 . . . . 0.0 103.052 173.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.2 m -130.98 122.75 27.41 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 105.346 -2.094 . . . . 0.0 105.346 175.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.621 HD11 ' CZ3' ' A' ' 35' ' ' TRP . 0.7 OUTLIER -118.32 136.07 56.67 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.134 0 N-CA-C 104.229 -2.508 . . . . 0.0 104.229 174.948 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 74.7 p -112.43 165.8 11.89 Favored 'General case' 0 C--N 1.316 -0.864 1 N-CA-C 122.338 4.199 . . . . 0.0 122.338 174.712 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m -140.27 125.68 18.95 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 171.911 -94.236 -153.101 -90.998 105.196 2.004 104.983 -133.307 77.064 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.502 ' HA ' ' O ' ' A' ' 69' ' ' THR . 0.2 OUTLIER -102.97 138.15 40.23 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 121.025 3.713 . . . . 0.0 121.025 165.687 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.407 ' HB2' ' CD1' ' A' ' 29' ' ' ILE . . . -102.7 157.24 17.09 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 104.949 -2.241 . . . . 0.0 104.949 178.726 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.5 p -96.38 6.66 48.3 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 -170.931 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -157.84 142.47 16.37 Favored 'General case' 0 C--O 1.241 0.637 1 N-CA-C 97.516 -4.994 . . . . 0.0 97.516 -174.231 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -39.36 107.77 0.07 Allowed 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 120.835 3.642 . . . . 0.0 120.835 154.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.407 ' CD1' ' HB2' ' A' ' 25' ' ' ALA . 3.2 pt -111.66 9.36 8.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 102.424 -3.176 . . . . 0.0 102.424 -178.734 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.697 HG22 ' N ' ' A' ' 31' ' ' LYS . 82.4 mt 79.25 -77.94 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-O 120.851 0.358 . . . . 0.0 110.673 154.431 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.697 ' N ' HG22 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -145.57 20.85 1.5 Allowed 'General case' 0 C--N 1.32 -0.691 1 N-CA-C 127.562 6.134 . . . . 0.0 127.562 150.163 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -104.11 88.63 3.05 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 103.538 -2.764 . . . . 0.0 103.538 -151.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -143.47 133.21 23.83 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.266 -0.879 . . . . 0.0 112.782 -179.072 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.432 ' HB2' ' HG2' ' A' ' 89' ' ' GLN . 3.5 m120 -113.92 143.3 44.93 Favored 'General case' 0 CA--C 1.502 -0.889 0 N-CA-C 103.009 -2.959 . . . . 0.0 103.009 -171.161 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.621 ' CZ3' HD11 ' A' ' 21' ' ' ILE . 87.7 m95 -112.34 131.31 55.6 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.748 173.612 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.466 ' HB2' ' HB2' ' A' ' 87' ' ' TYR . 49.1 m-85 -116.9 149.42 40.14 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 -173.198 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.652 ' HB2' HD11 ' A' ' 47' ' ' LEU . 32.7 tt0 -120.08 137.19 54.27 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 169.586 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.858 HE22 HE22 ' B' ' 38' ' ' GLN . 53.0 tt0 -135.8 107.19 6.85 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.758 177.511 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' THR . . . . . 0.91 HG23 ' O ' ' A' ' 223' ' ' HOH . 0.0 OUTLIER -80.84 160.31 66.76 Favored Pre-proline 0 C--O 1.241 0.642 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 169.013 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.636 ' HD2' HG22 ' A' ' 39' ' ' THR 0.511 10.2 Cg_endo -67.64 132.18 26.33 Favored 'Trans proline' 0 C--N 1.316 -1.162 0 N-CA-C 107.758 -1.67 . . . . 0.0 107.758 -160.403 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.67 2.82 17.95 Favored Glycine 0 CA--C 1.53 0.987 1 N-CA-C 128.345 6.098 . . . . 0.0 128.345 -174.234 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.4 mmtm -114.13 -179.11 3.54 Favored 'General case' 0 C--O 1.241 0.613 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 -177.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.86 138.51 26.23 Favored Pre-proline 0 C--N 1.322 -0.59 1 N-CA-C 90.573 -7.566 . . . . 0.0 90.573 -160.554 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -34.2 140.65 0.07 OUTLIER 'Trans proline' 0 C--N 1.318 -1.042 1 N-CA-C 123.075 4.221 . . . . 0.0 123.075 151.418 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.9 tttp -126.55 129.43 48.58 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 -179.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.501 HD23 ' HG2' ' A' ' 55' ' ' GLN . 16.1 tp -64.06 111.63 2.62 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 120.587 3.551 . . . . 0.0 120.587 163.777 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.652 HD11 ' HB2' ' A' ' 37' ' ' GLN . 68.0 mt -93.35 -34.34 13.53 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 116.788 2.144 . . . . 0.0 116.788 178.594 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.2 mt -149.5 132.95 7.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 105.301 -2.111 . . . . 0.0 105.301 -169.282 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.898 ' HB3' ' NE2' ' A' ' 55' ' ' GLN . 4.2 t80 -125.26 144.86 50.27 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 104.467 -2.42 . . . . 0.0 104.467 -167.839 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLU . . . . . 1.092 ' OE2' ' O ' ' A' ' 255' ' ' HOH . 3.7 tt0 44.67 59.79 3.2 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 -175.398 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 50' ' ' GLU . . . 60.72 -50.2 0.1 Allowed 'General case' 0 C--N 1.315 -0.918 1 N-CA-C 124.937 5.162 . . . . 0.0 124.937 -174.344 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' SER . . . . . 0.622 ' OG ' ' O ' ' A' ' 257' ' ' HOH . 0.1 OUTLIER -106.86 -20.96 13.17 Favored 'General case' 0 N--CA 1.471 0.617 1 N-CA-C 127.898 6.259 . . . . 0.0 127.898 178.715 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -96.94 103.43 15.36 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.758 -157.305 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LEU . . . . . 1.5 ' N ' ' CA ' ' A' ' 54' ' ' LEU 0.523 6.4 mt -32.79 125.04 0.35 Allowed 'General case' 1 N--CA 1.687 11.375 1 C-N-CA 137.062 6.145 . . . . 0.0 105.543 161.454 . . . . . . . . 5 3 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.898 ' NE2' ' HB3' ' A' ' 49' ' ' TYR . 1.1 tp60 -99.21 171.33 8.07 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 100.438 -3.912 . . . . 0.0 100.438 178.99 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.19 135.7 57.83 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 -169.396 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 66.82 4.14 25.24 Favored Glycine 0 N--CA 1.469 0.876 1 N-CA-C 127.88 5.912 . . . . 0.0 127.88 -173.249 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.8 t -86.86 137.21 33.61 Favored Pre-proline 0 C--N 1.318 -0.792 0 N-CA-C 100.853 -3.758 . . . . 0.0 100.853 -174.04 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.87 ' HG2' ' HE2' ' A' ' 62' ' ' PHE 0.262 23.4 Cg_endo -65.87 163.39 31.06 Favored 'Trans proline' 0 C--N 1.319 -0.997 0 N-CA-C 105.047 -2.713 . . . . 0.0 105.047 -166.428 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.4 -8.04 49.03 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -173.528 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.845 ' NH2' ' OD1' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -57.02 -19.69 19.99 Favored 'General case' 0 C--N 1.317 -0.811 1 N-CA-C 130.366 7.173 . . . . 0.0 130.366 150.845 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.87 ' HE2' ' HG2' ' A' ' 59' ' ' PRO . 14.0 m-85 -84.98 133.61 34.26 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 117.641 2.46 . . . . 0.0 117.641 157.914 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' SER . . . . . 0.544 ' OG ' ' O ' ' A' ' 247' ' ' HOH . 0.0 OUTLIER -137.47 154.48 49.89 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 103.665 -2.717 . . . . 0.0 103.665 169.336 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -118.49 151.99 17.6 Favored Glycine 0 CA--C 1.528 0.9 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 163.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.1 p -142.23 160.6 39.92 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 119.044 2.979 . . . . 0.0 119.044 157.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.458 ' HA3' ' CD2' ' A' ' 71' ' ' TYR . . . 157.05 152.81 6.43 Favored Glycine 0 C--N 1.298 -1.552 0 N-CA-C 120.667 3.027 . . . . 0.0 120.667 -175.113 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.8 p -149.41 158.26 44.02 Favored 'General case' 0 C--N 1.319 -0.739 1 N-CA-C 94.704 -6.036 . . . . 0.0 94.704 168.719 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.85 -109.7 2.85 Favored Glycine 0 N--CA 1.468 0.825 1 N-CA-C 128.807 6.283 . . . . 0.0 128.807 175.872 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' THR . . . . . 0.502 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 11.8 p -116.85 -19.87 9.68 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 104.817 -2.29 . . . . 0.0 104.817 -175.812 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -113.84 117.41 31.35 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 119.029 2.974 . . . . 0.0 119.029 -175.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.458 ' CD2' ' HA3' ' A' ' 66' ' ' GLY . 40.1 m-85 -124.34 154.45 40.31 Favored 'General case' 0 C--N 1.312 -1.022 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 174.967 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.9 m -130.25 146.47 51.86 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.502 -176.021 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.526 ' CZ ' ' HD1' ' A' ' 62' ' ' PHE . 64.6 t80 -128.93 126.72 40.25 Favored 'General case' 0 C--N 1.32 -0.706 1 N-CA-C 98.358 -4.682 . . . . 0.0 98.358 179.468 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.1 m -117.56 146.85 43.31 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.332 175.047 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 56.3 mt -121.38 107.07 19.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 1 N-CA-C 98.089 -4.782 . . . . 0.0 98.089 174.326 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' SER . . . . . 0.432 ' OG ' ' N ' ' A' ' 77' ' ' SER . 0.4 OUTLIER -60.56 -47.84 84.4 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 121.349 3.833 . . . . 0.0 121.349 179.011 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' SER . . . . . 0.432 ' N ' ' OG ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -131.47 111.87 12.17 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.648 166.121 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.567 HD22 ' HB3' ' A' ' 13' ' ' ALA . 13.1 tp -63.53 143.16 58.05 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.222 178.974 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -130.15 173.11 6.17 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.746 177.159 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . 0.624 2.3 Cg_endo -53.35 -30.26 51.66 Favored 'Trans proline' 0 C--N 1.321 -0.897 0 N-CA-C 117.524 2.086 . . . . 0.0 117.524 176.226 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.481 ' OE2' ' N ' ' A' ' 81' ' ' GLU . 17.0 pm0 -104.95 9.12 34.69 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.542 -169.963 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.845 ' OD1' ' NH2' ' A' ' 61' ' ' ARG . 74.0 m-20 -86.34 -0.88 56.86 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 117.843 2.535 . . . . 0.0 117.843 166.709 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 33.4 mt -69.0 118.86 13.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 175.84 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -178.39 176.64 1.03 Allowed 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 -164.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 29.8 m -109.75 142.37 41.06 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 103.479 -2.786 . . . . 0.0 103.479 169.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -117.94 140.59 49.51 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.562 -174.703 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.466 ' HB2' ' HB2' ' A' ' 36' ' ' TYR . 76.5 m-85 -129.38 140.16 51.45 Favored 'General case' 0 N--CA 1.494 1.729 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.76 -172.062 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 13.1 p -105.86 148.25 27.78 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.818 164.288 77.064 -133.307 -90.998 104.983 2.004 105.196 -153.101 -94.236 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.432 ' HG2' ' HB2' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -140.36 131.9 27.06 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 103.921 -2.622 . . . . 0.0 103.921 178.411 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -90.59 146.83 23.75 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 168.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -135.87 41.21 2.7 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 115.437 -0.801 . . . . 0.0 112.921 170.533 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -82.91 -48.56 10.58 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 179.948 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 88.7 p -133.72 156.47 47.89 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 173.461 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.511 ' HB3' ' NE2' ' B' ' 55' ' ' GLN . 6.7 mt -87.85 153.76 52.44 Favored Pre-proline 0 CA--C 1.507 -0.681 0 N-CA-C 115.019 1.488 . . . . 0.0 115.019 -178.897 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -56.17 148.84 24.98 Favored 'Cis proline' 0 C--N 1.317 -1.12 1 N-CA-C 137.015 9.583 . . . . 0.0 137.015 -26.629 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 17.6 m-30 -68.4 115.45 7.84 Favored 'General case' 0 C--O 1.243 0.729 0 N-CA-C 105.552 -2.018 . . . . 0.0 105.552 173.953 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' THR . . . . . 1.019 HG21 ' OD1' ' A' ' 1' ' ' ASP . 11.2 p -112.16 149.45 32.19 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 -176.308 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -100.95 158.33 16.07 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 179.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -73.12 168.9 53.45 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 108.547 -1.821 . . . . 0.0 108.547 157.814 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -11.24 60.59 Favored 'General case' 0 C--N 1.318 -0.775 1 N-CA-C 123.677 4.695 . . . . 0.0 123.677 -176.622 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 107.44 135.97 7.94 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 118.936 2.335 . . . . 0.0 118.936 -177.194 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 41.4 m -114.2 102.18 9.89 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 165.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.48 113.9 2.67 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 119.764 3.246 . . . . 0.0 119.764 155.676 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.46 132.81 45.64 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.637 174.918 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -126.67 158.93 35.1 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 105.565 -2.013 . . . . 0.0 105.565 -179.003 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.592 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.8 OUTLIER -108.54 134.75 49.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 105.515 -2.031 . . . . 0.0 105.515 -177.716 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' THR . . . . . 0.476 ' HB ' ' O ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.321 -0.67 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.663 -166.231 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ASP . . . . . 0.811 ' CG ' ' N ' ' B' ' 2' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.549 0 N-CA-C 120.81 3.633 . . . . 0.0 120.81 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' ILE . . . . . 0.811 ' N ' ' CG ' ' B' ' 1' ' ' ASP . 2.3 mt -96.56 112.1 28.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 1 N-CA-C 96.054 -5.536 . . . . 0.0 96.054 163.087 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.412 HE21 ' HB3' ' B' ' 3' ' ' GLN . 0.0 OUTLIER -78.42 130.53 36.19 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 174.149 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' MET . . . . . 0.591 ' HE1' ' HB2' ' B' ' 25' ' ' ALA . 0.0 OUTLIER -111.22 128.41 55.91 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 118.043 2.609 . . . . 0.0 118.043 162.931 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' THR . . . . . 0.435 HG23 ' O ' ' B' ' 239' ' ' HOH . 27.4 p -105.46 133.87 49.5 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.577 0.703 . . . . 0.0 110.989 171.24 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.987 HE21 ' CD1' ' B' ' 21' ' ' ILE . 40.7 tt0 -117.92 134.7 54.7 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.09 -175.238 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 8.0 t -136.02 148.75 66.11 Favored Pre-proline 0 C--N 1.318 -0.794 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 -175.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' PRO . . . . . 0.428 ' HG3' HD23 ' B' ' 11' ' ' LEU . 91.8 Cg_endo -64.26 -175.05 4.72 Favored 'Cis proline' 0 C--N 1.318 -1.037 0 C-N-CA 120.912 -2.537 . . . . 0.0 117.142 -24.137 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 4.6 p -108.0 -14.79 14.67 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -178.138 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 1.4 t -152.12 147.99 27.11 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 170.066 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.476 HD13 ' N ' ' B' ' 12' ' ' SER . 0.5 OUTLIER -152.78 134.69 14.74 Favored 'General case' 0 C--N 1.316 -0.873 1 N-CA-C 92.766 -6.753 . . . . 0.0 92.766 -159.079 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' SER . . . . . 0.791 ' OG ' HG23 ' B' ' 107' ' ' THR . 40.4 t -140.64 125.65 18.38 Favored 'General case' 0 C--N 1.294 -1.822 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.162 171.001 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -155.52 168.96 25.42 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 106.446 -1.687 . . . . 0.0 106.446 -158.369 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -114.29 160.82 18.63 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.365 -0.834 . . . . 0.0 108.855 -166.056 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.95 137.26 24.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 104.871 -2.27 . . . . 0.0 104.871 -170.621 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 96.93 -33.18 5.92 Favored Glycine 0 CA--C 1.531 1.059 1 N-CA-C 126.211 5.244 . . . . 0.0 126.211 -161.708 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -63.25 148.32 48.52 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 115.713 1.746 . . . . 0.0 115.713 -174.296 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.07 131.63 42.33 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 107.586 -1.264 . . . . 0.0 107.586 160.79 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -124.53 140.88 46.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 102.195 -3.261 . . . . 0.0 102.195 177.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 3.0 t -137.97 122.88 18.93 Favored 'General case' 0 CA--C 1.496 -1.099 0 N-CA-C 102.848 -3.019 . . . . 0.0 102.848 -177.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.987 ' CD1' HE21 ' B' ' 6' ' ' GLN . 0.1 OUTLIER -119.32 142.83 32.74 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.661 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 173.1 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' THR . . . . . 0.586 HG22 HG22 ' B' ' 72' ' ' THR . 52.8 p -116.06 168.81 9.76 Favored 'General case' 0 N--CA 1.447 -0.619 1 N-CA-C 122.821 4.378 . . . . 0.0 122.821 173.596 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 52.2 t -145.39 123.05 11.81 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 103.683 -2.71 . . . . 0.0 103.683 -170.921 179.997 123.271 81.098 106.018 2.007 104.317 158.681 59.423 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -117.18 126.43 52.77 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 115.674 -0.693 . . . . 0.0 109.288 175.767 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.591 ' HB2' ' HE1' ' B' ' 4' ' ' MET . . . -92.85 151.16 20.14 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 117.414 2.376 . . . . 0.0 117.414 162.362 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 3.6 p -83.98 -15.06 49.15 Favored 'General case' 0 N--CA 1.472 0.658 1 N-CA-C 138.666 10.247 . . . . 0.0 138.666 161.4 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' GLN . . . . . 0.528 HE21 HD11 ' B' ' 2' ' ' ILE . 21.2 mt-30 -97.1 164.07 12.67 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 146.078 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' B' ' 30' ' ' ILE . 0.0 OUTLIER -78.59 126.92 31.41 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 103.276 -2.861 . . . . 0.0 103.276 171.28 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 8.4 pt -112.43 12.58 8.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 1 N-CA-C 98.244 -4.724 . . . . 0.0 98.244 -167.936 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.464 ' N ' ' OD1' ' B' ' 28' ' ' ASP . 1.5 mm 71.72 -66.9 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 117.952 2.575 . . . . 0.0 117.952 164.894 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.983 ' HZ3' ' CD ' ' B' ' 50' ' ' GLU . 19.0 pttp -164.58 19.16 0.06 Allowed 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.951 161.772 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -96.01 76.02 3.09 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -165.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.504 HD22 ' CG ' ' B' ' 71' ' ' TYR . 0.7 OUTLIER -136.52 115.47 12.29 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.316 -0.856 . . . . 0.0 108.829 -179.709 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -85.32 152.59 23.16 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 120.897 3.666 . . . . 0.0 120.897 161.035 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -115.61 128.53 56.01 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.241 -0.89 . . . . 0.0 112.437 172.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -112.03 147.87 35.05 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 174.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -114.06 131.93 56.2 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.738 165.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.858 HE22 HE22 ' A' ' 38' ' ' GLN . 11.1 tt0 -119.37 111.49 18.23 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 115.615 1.709 . . . . 0.0 115.615 170.535 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 1.7 m -79.36 153.65 76.6 Favored Pre-proline 0 C--N 1.318 -0.772 0 N-CA-C 102.681 -3.081 . . . . 0.0 102.681 -179.382 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . 0.503 5.9 Cg_endo -58.43 120.04 7.68 Favored 'Trans proline' 0 C--N 1.319 -0.992 0 O-C-N 123.6 1.316 . . . . 0.0 113.372 179.531 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.31 -15.79 59.05 Favored Glycine 0 CA--C 1.529 0.924 0 N-CA-C 118.587 2.195 . . . . 0.0 118.587 179.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 34.7 mmtt -100.41 -176.19 3.14 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.443 -0.378 . . . . 0.0 111.958 -179.849 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.39 163.25 21.05 Favored Pre-proline 0 C--N 1.321 -0.655 1 N-CA-C 99.132 -4.396 . . . . 0.0 99.132 -175.082 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . 0.384 16.6 Cg_endo -57.93 143.31 96.23 Favored 'Trans proline' 0 C--N 1.323 -0.806 1 N-CA-C 124.921 4.931 . . . . 0.0 124.921 166.568 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -118.69 127.47 53.6 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 105.246 -2.131 . . . . 0.0 105.246 -177.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 63.7 tp -71.87 124.54 25.06 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.041 174.673 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 16.2 mt -101.47 -39.83 7.35 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.578 -177.116 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 6.3 mt -151.11 126.59 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 N-CA-C 103.393 -2.817 . . . . 0.0 103.393 -162.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -113.08 152.0 30.08 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 102.306 -3.22 . . . . 0.0 102.306 -175.932 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' GLU . . . . . 0.983 ' CD ' ' HZ3' ' B' ' 31' ' ' LYS . 3.3 mt-10 40.28 53.81 2.85 Favored 'General case' 0 N--CA 1.472 0.63 1 N-CA-C 122.833 4.383 . . . . 0.0 122.833 -174.242 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.623 ' HB3' ' O ' ' B' ' 50' ' ' GLU . . . 66.22 -52.72 0.41 Allowed 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 117.105 2.261 . . . . 0.0 117.105 -175.261 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.9 m -110.08 -16.73 13.74 Favored 'General case' 0 C--O 1.241 0.625 1 N-CA-C 125.645 5.424 . . . . 0.0 125.645 -174.621 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -91.13 97.92 11.44 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 118.64 2.83 . . . . 0.0 118.64 -168.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 12.7 tp -66.25 146.61 54.41 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.968 -175.79 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.511 ' NE2' ' HB3' ' A' ' 94' ' ' LEU . 8.2 tp60 -103.85 169.72 8.35 Favored 'General case' 0 C--N 1.319 -0.748 1 N-CA-C 95.473 -5.751 . . . . 0.0 95.473 -152.88 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.86 138.18 40.93 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 124.573 1.171 . . . . 0.0 108.465 -177.707 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.31 -21.48 37.57 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 119.435 2.534 . . . . 0.0 119.435 -179.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.419 HG13 ' HD2' ' B' ' 59' ' ' PRO . 42.1 t -84.39 139.99 38.85 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 -171.763 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' PRO . . . . . 0.419 ' HD2' HG13 ' B' ' 58' ' ' VAL 0.299 18.1 Cg_endo -55.22 147.95 52.43 Favored 'Trans proline' 0 C--N 1.314 -1.242 0 O-C-N 123.542 1.285 . . . . 0.0 112.239 -176.08 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 75.0 p -82.58 -8.04 59.62 Favored 'General case' 0 C--N 1.317 -0.832 0 O-C-N 123.475 0.484 . . . . 0.0 111.01 -176.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' ARG . . . . . 0.976 HH22 ' HB2' ' B' ' 79' ' ' GLN . 0.0 OUTLIER -61.59 -32.58 72.7 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 121.499 3.889 . . . . 0.0 121.499 163.978 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' PHE . . . . . 0.522 ' CD1' ' N ' ' B' ' 62' ' ' PHE . 3.5 m-30 -68.5 127.08 31.72 Favored 'General case' 0 C--N 1.32 -0.687 1 N-CA-C 126.705 5.817 . . . . 0.0 126.705 159.201 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.53 161.23 34.31 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.271 1.212 . . . . 0.0 114.271 173.868 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -142.46 137.47 7.83 Favored Glycine 0 CA--C 1.532 1.13 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 -179.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.4 p -145.26 177.93 8.45 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 119.929 3.307 . . . . 0.0 119.929 162.405 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.579 ' HA3' ' CD2' ' B' ' 71' ' ' TYR . . . 148.25 143.59 3.83 Favored Glycine 0 CA--C 1.532 1.098 0 N-CA-C 118.784 2.273 . . . . 0.0 118.784 -164.696 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 2.7 p -142.14 147.86 37.35 Favored 'General case' 0 C--O 1.24 0.592 1 N-CA-C 96.685 -5.302 . . . . 0.0 96.685 170.648 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.45 -101.62 1.65 Allowed Glycine 0 N--CA 1.469 0.9 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 165.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -121.58 -28.95 4.48 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 104.07 -2.567 . . . . 0.0 104.07 -155.406 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -115.92 127.22 54.81 Favored 'General case' 0 C--N 1.319 -0.736 1 N-CA-C 126.234 5.642 . . . . 0.0 126.234 -177.339 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' TYR . . . . . 0.579 ' CD2' ' HA3' ' B' ' 66' ' ' GLY . 83.4 m-85 -127.51 155.55 43.57 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.408 -0.815 . . . . 0.0 112.971 -173.069 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' THR . . . . . 0.586 HG22 HG22 ' B' ' 22' ' ' THR . 18.6 p -137.97 154.48 49.36 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.343 -0.844 . . . . 0.0 112.321 173.441 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -128.99 126.72 40.17 Favored 'General case' 0 C--N 1.317 -0.825 1 N-CA-C 98.716 -4.55 . . . . 0.0 98.716 -178.596 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 91.2 m -112.0 135.38 52.72 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.268 -0.878 . . . . 0.0 112.378 174.693 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 80.2 mt -106.33 108.3 24.77 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.21 0 N-CA-C 101.691 -3.448 . . . . 0.0 101.691 163.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 15.4 p -60.57 -40.37 91.42 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 115.6 1.704 . . . . 0.0 115.6 -178.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 7.7 t -144.64 118.65 9.39 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.807 176.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.417 HD23 HD13 ' B' ' 106' ' ' ILE . 15.2 tp -80.5 137.29 36.43 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.417 -0.811 . . . . 0.0 108.941 -167.544 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' GLN . . . . . 0.976 ' HB2' HH22 ' B' ' 61' ' ' ARG . 21.6 mt-30 -128.91 164.96 35.26 Favored Pre-proline 0 C--N 1.319 -0.746 1 N-CA-C 98.868 -4.493 . . . . 0.0 98.868 -176.424 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' PRO . . . . . . . . . . . . 0.508 2.1 Cg_endo -59.38 -29.37 89.98 Favored 'Trans proline' 0 C--N 1.319 -0.977 0 N-CA-C 122.153 3.867 . . . . 0.0 122.153 -179.328 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.16 12.88 3.84 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 179.02 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -97.29 -11.82 23.64 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 174.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 61.4 mt -57.51 105.66 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.433 -0.803 . . . . 0.0 112.203 172.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -172.17 172.01 4.71 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 105.624 -1.991 . . . . 0.0 105.624 -165.375 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 58.9 m -103.29 140.23 37.68 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 167.636 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -117.06 133.38 56.08 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 104.706 -2.331 . . . . 0.0 104.706 -172.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -119.28 142.19 48.3 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 115.553 -0.748 . . . . 0.0 109.753 179.553 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 26.7 p -99.26 148.3 24.28 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.87 158.922 59.423 158.681 81.098 104.317 2.007 106.018 123.271 179.997 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -139.92 134.98 32.35 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.42 174.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' GLN . . . . . 0.652 ' NE2' ' H ' ' B' ' 92' ' ' GLN . 0.0 OUTLIER -98.0 146.87 25.08 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 175.126 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' TYR . . . . . 0.425 ' CD2' ' O ' ' B' ' 91' ' ' TYR . 47.3 p90 -139.92 41.34 1.98 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.08 -1.452 . . . . 0.0 107.08 176.982 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' GLN . . . . . 0.652 ' H ' ' NE2' ' B' ' 90' ' ' GLN . 0.0 OUTLIER -75.83 -46.36 30.85 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 173.599 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 24.8 p -147.63 152.15 37.4 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.317 178.136 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 15.9 mt -73.87 147.81 86.64 Favored Pre-proline 0 C--N 1.321 -0.643 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 -179.601 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -82.82 171.16 53.79 Favored 'Cis proline' 0 C--N 1.317 -1.101 0 C-N-CA 117.835 -3.819 . . . . 0.0 115.237 -3.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 19.6 m-30 -87.45 134.57 33.58 Favored 'General case' 0 C--N 1.316 -0.85 1 N-CA-C 94.083 -6.266 . . . . 0.0 94.083 -175.385 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 9.0 p -123.96 143.83 50.16 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 105.992 -1.855 . . . . 0.0 105.992 -179.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -99.89 150.16 22.67 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 105.346 -2.094 . . . . 0.0 105.346 178.336 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -61.55 170.39 9.91 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 107.483 -2.247 . . . . 0.0 107.483 158.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' GLN . . . . . 0.455 ' OE1' ' O ' ' B' ' 6' ' ' GLN . 0.0 OUTLIER -83.82 -9.6 58.65 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -176.884 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.79 140.57 11.4 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 120.58 2.992 . . . . 0.0 120.58 175.932 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' THR . . . . . 0.415 ' OG1' ' CD1' ' B' ' 21' ' ' ILE . 29.7 m -105.24 120.39 41.43 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 166.657 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -91.12 116.53 28.88 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 101.399 -3.556 . . . . 0.0 101.399 179.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 4.1 tt -102.76 122.45 44.51 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 105.351 -2.092 . . . . 0.0 105.351 178.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.26 164.42 14.25 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.301 172.503 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' ILE . . . . . 0.601 HG22 ' O ' ' B' ' 106' ' ' ILE . 1.3 mm -120.51 92.27 2.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 177.876 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' THR . . . . . 0.791 HG23 ' OG ' ' B' ' 12' ' ' SER . 36.4 p . . . . . 0 C--N 1.32 -0.689 1 N-CA-C 127.32 6.045 . . . . 0.0 127.32 163.779 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . 0.91 ' O ' HG23 ' A' ' 39' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 247' ' ' HOH . . . . . 0.544 ' O ' ' OG ' ' A' ' 63' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 254' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 255' ' ' HOH . . . . . 1.092 ' O ' ' OE2' ' A' ' 50' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 256' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 257' ' ' HOH . . . . . 0.622 ' O ' ' OG ' ' A' ' 52' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 261' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 262' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 266' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 239' ' ' HOH . . . . . 0.435 ' O ' HG23 ' B' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 259' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 260' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 263' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 265' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 267' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 268' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 269' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_