data_2ott_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 2ott _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 ' X' X ' 7' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo . . . . . 0 N--CA 1.493 1.478 0 N-CA-C 110.928 -0.451 . . . . 22.46 110.928 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.24 161.47 19.31 Favored 'General case' 0 C--O 1.258 1.501 0 CA-C-O 121.546 0.688 . . . . 20.12 111.535 176.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 9' ' ' VAL . . . . . . . . . . . . . 36.4 t -81.79 131.32 34.11 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.613 0 N-CA-C 105.876 -1.898 . . . . 18.65 105.876 173.043 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -105.3 147.07 28.52 Favored 'General case' 0 CA--C 1.504 -0.821 0 N-CA-C 108.032 -1.099 . . . . 31.25 108.032 177.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 11' ' ' SER . . . . . . . . . . . . . 93.7 p -130.07 172.99 11.16 Favored 'General case' 0 N--CA 1.429 -1.52 0 C-N-CA 116.963 -1.895 . . . . 14.03 110.595 174.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 12' ' ' ARG . . . . . 0.42 ' CD ' ' O ' ' X' ' 121' ' ' HOH 0.317 0.2 OUTLIER -173.42 154.19 2.55 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.018 -0.992 . . . . 31.91 108.509 -169.867 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 82.5 mt -114.3 119.79 38.18 Favored 'General case' 0 C--O 1.259 1.572 0 N-CA-C 107.103 -1.443 . . . . 11.55 107.103 -177.055 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 14' ' ' VAL . . . . . . . . . . . . . 54.8 t -112.91 134.98 53.82 Favored 'Isoleucine or valine' 0 C--O 1.271 2.219 0 CA-C-O 123.7 1.714 . . . . 10.15 108.664 -169.185 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.66 -6.04 51.88 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 116.303 -2.856 . . . . 10.63 110.893 164.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.44 167.74 35.85 Favored Glycine 0 C--N 1.356 1.643 0 N-CA-C 116.507 1.363 . . . . 12.12 116.507 -176.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 17' ' ' SER . . . . . . . . . . . . . 77.4 p -74.47 -8.18 55.43 Favored 'General case' 0 CA--C 1.49 -1.339 0 C-N-CA 118.033 -1.467 . . . . 15.24 110.649 -176.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 18' ' ' SER . . . . . . . . . . . . . 6.7 p -144.81 179.97 6.97 Favored 'General case' 0 CA--C 1.551 1.007 0 O-C-N 123.634 0.583 . . . . 11.27 112.537 158.035 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 19' ' ' ILE . . . . . . . . . . . . . 14.7 pt -72.2 -8.96 12.36 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.699 0 C-N-CA 118.78 -1.168 . . . . 16.05 110.15 179.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 20' ' ' CYS . . . . . . . . . . . . . 84.4 m -83.87 4.4 29.53 Favored 'General case' 0 C--N 1.349 0.559 0 N-CA-C 111.716 0.265 . . . . 26.38 111.716 179.358 -67.564 -47.834 -84.399 109.885 2.149 105.153 -102.369 -63.799 1 1 . 1 . 001 ecloud orig full ' X' X ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -152.63 149.7 28.72 Favored 'General case' 0 C--O 1.208 -1.09 0 C-N-CA 118.049 -1.46 . . . . 28.37 112.68 177.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 22' ' ' GLY . . . . . . . . . . . . . . . 148.32 -179.25 25.32 Favored Glycine 0 N--CA 1.43 -1.732 0 C-N-CA 119.086 -1.53 . . . . 9.57 113.376 179.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 23' ' ' THR . . . . . . . . . . . . . 54.9 m -71.2 137.65 48.88 Favored 'General case' 0 N--CA 1.425 -1.683 0 N-CA-C 109.883 -0.414 . . . . 11.06 109.883 177.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 24' ' ' VAL . . . . . . . . . . . . . 60.6 t -77.67 131.06 35.44 Favored 'Isoleucine or valine' 0 C--O 1.271 2.227 0 C-N-CA 117.376 -1.73 . . . . 11.16 110.347 -178.335 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 25' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -123.21 146.62 47.66 Favored 'General case' 0 C--O 1.253 1.244 0 CA-C-N 114.132 -1.395 . . . . 32.8 110.322 172.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 26' ' ' VAL . . . . . . . . . . . . . 7.6 m -135.15 166.7 27.43 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.266 0 CA-C-O 122.566 1.174 . . . . 13.37 111.795 -178.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -164.72 140.9 5.88 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.404 -0.962 . . . . 30.47 108.404 -179.516 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' X' X ' 28' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -109.46 -94.06 0.42 Allowed 'General case' 0 CA--C 1.579 2.068 0 CA-C-N 114.655 -1.157 . . . . 39.49 111.45 169.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 29' ' ' GLY . . . . . . . . . . . . . . . -104.7 82.02 0.34 Allowed Glycine 0 N--CA 1.481 1.657 1 N-CA-C 100.119 -5.192 . . . . 34.18 100.119 172.04 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' X' X ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.48 169.53 22.39 Favored 'General case' 0 C--O 1.259 1.604 0 C-N-CA 112.992 -3.483 . . . . 32.95 117.125 -151.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 31' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -71.45 155.02 41.08 Favored 'General case' 0 N--CA 1.413 -2.313 0 CA-C-N 112.008 -2.36 . . . . 40.63 109.439 148.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 32' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -72.67 145.96 46.88 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 114.675 -1.148 . . . . 21.33 108.177 169.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 33' ' ' ALA . . . . . . . . . . . . . . . -147.65 155.43 41.76 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 102.61 -3.107 . . . . 13.82 102.61 177.799 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.17 147.73 38.73 Favored 'General case' 0 N--CA 1.434 -1.242 0 N-CA-C 109.468 -0.567 . . . . 10.97 109.468 173.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 35' ' ' LEU . . . . . . . . . . . . . 47.3 tp -86.0 132.57 34.03 Favored 'General case' 0 C--O 1.256 1.444 0 CA-C-O 118.484 -0.769 . . . . 14.85 110.735 167.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 36' ' ' CYS . . . . . . . . . . . . . 35.6 m -95.34 139.86 31.05 Favored 'General case' 0 CA--C 1.467 -2.229 0 CA-C-O 118.37 -0.824 . . . . 29.87 108.883 175.703 -51.517 -61.105 -107.209 108.832 2.121 103.417 92.895 168.9 1 1 . 1 . 001 ecloud orig full ' X' X ' 37' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -130.57 155.01 47.23 Favored 'General case' 0 C--O 1.172 -3.024 0 C-N-CA 114.124 -3.03 . . . . 35.64 114.615 176.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 38' ' ' SER . . . . . . . . . . . . . 33.1 p . . . . . 1 N--CA 1.543 4.199 0 N-CA-C 117.3 2.333 . . . . 41.25 117.3 135.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 43' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 C--O 1.261 1.675 0 N-CA-C 112.489 0.551 . . . . 38.54 112.489 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 44' ' ' SER . . . . . . . . . . . . . 1.1 m -61.84 -16.31 49.21 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 115.508 1.669 . . . . 36.71 115.508 167.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 45' ' ' LEU . . . . . . . . . . . . . 46.5 mt -52.49 -51.01 61.55 Favored 'General case' 0 C--O 1.246 0.896 0 O-C-N 123.918 0.761 . . . . 25.48 112.271 176.082 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 46' ' ' ARG . . . . . 0.532 ' NH2' ' O ' ' X' ' 79' ' ' HIS . 23.6 ttm180 -64.09 -35.78 81.88 Favored 'General case' 0 C--O 1.26 1.656 0 C-N-CA 119.863 -0.735 . . . . 23.97 112.546 -179.001 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' X' X ' 47' ' ' TRP . . . . . . . . . . . . . 19.1 m95 -78.02 -30.81 50.17 Favored 'General case' 0 C--O 1.278 2.59 0 C-N-CA 118.997 -1.081 . . . . 12.12 111.082 -173.001 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 48' ' ' GLU . . . . . . . . . . . . . 33.8 tp10 -63.03 -44.11 96.83 Favored 'General case' 0 N--CA 1.433 -1.321 0 CA-C-N 115.285 -0.87 . . . . 14.64 110.467 174.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 49' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -58.13 -47.79 82.23 Favored 'General case' 0 C--O 1.245 0.859 0 CA-C-N 119.062 0.847 . . . . 50.87 109.04 176.164 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 50' ' ' VAL . . . . . . . . . . . . . 50.1 t -58.85 -43.91 89.35 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.2 0 O-C-N 123.874 0.734 . . . . 10.66 111.84 -178.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 51' ' ' CYS . . . . . . . . . . . . . 69.6 m -61.65 -47.06 87.07 Favored 'General case' 0 C--O 1.242 0.686 0 O-C-N 121.457 -0.777 . . . . 11.97 110.738 177.118 -71.6 -71.997 -77.969 102.107 2.061 107.988 -80.301 -48.122 1 1 . 1 . 001 ecloud orig full ' X' X ' 52' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -73.94 -28.19 61.38 Favored 'General case' 0 N--CA 1.424 -1.771 0 C-N-CA 119.981 -0.688 . . . . 11.54 111.314 -170.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 53' ' ' GLU . . . . . . . . . . . . . 67.7 tt0 -66.06 -27.77 68.33 Favored 'General case' 0 CA--C 1.56 1.331 0 O-C-N 121.348 -0.845 . . . . 31.92 110.375 175.395 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 54' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -77.2 -7.81 56.51 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 107.723 -1.214 . . . . 14.84 107.723 174.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 55' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 67.33 29.66 7.41 Favored 'General case' 0 CA--C 1.567 1.618 0 CA-C-O 122.319 1.057 . . . . 30.19 112.88 -172.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 56' ' ' CYS . . . . . . . . . . . . . 78.3 m -96.54 -174.48 3.05 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.59 1.156 . . . . 18.99 108.529 171.031 -63.799 -102.369 -84.399 105.153 2.149 109.885 -47.834 -67.564 1 1 . 1 . 001 ecloud orig full ' X' X ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.11 -165.83 40.83 Favored Glycine 0 N--CA 1.423 -2.224 0 N-CA-C 105.916 -2.874 . . . . 11.06 105.916 179.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 58' ' ' SER . . . . . . . . . . . . . 73.2 m -74.52 159.78 31.77 Favored 'General case' 0 CA--C 1.485 -1.534 0 N-CA-C 114.547 1.314 . . . . 9.87 114.547 -177.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 59' ' ' VAL . . . . . . . . . . . . . 5.5 p -62.63 132.28 28.35 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.037 0 N-CA-C 105.578 -2.008 . . . . 10.26 105.578 -176.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 60' ' ' ASN . . . . . . . . . . . . 0.539 0.0 OUTLIER -108.9 -12.01 14.94 Favored 'General case' 0 C--O 1.17 -3.108 1 N-CA-C 122.971 4.434 . . . . 31.36 122.971 162.408 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' X' X ' 61' ' ' SER . . . . . . . . . . . . . 25.3 p -170.6 167.69 7.86 Favored 'General case' 0 C--O 1.197 -1.708 0 N-CA-C 106.075 -1.824 . . . . 13.53 106.075 171.295 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 62' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -159.55 155.81 26.99 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 106.309 -1.738 . . . . 27.97 106.309 178.04 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 63' ' ' ARG . . . . . . . . . . . . . 7.5 ptp85 -146.72 144.06 29.15 Favored 'General case' 0 N--CA 1.423 -1.811 0 N-CA-C 103.019 -2.956 . . . . 30.85 103.019 -178.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 64' ' ' VAL . . . . . . . . . . . . . 57.4 t -83.2 133.15 29.74 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 N-CA-C 106.628 -1.619 . . . . 14.07 106.628 178.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 78.6 mt -114.5 152.05 32.31 Favored 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 125.806 1.642 . . . . 13.56 113.012 -176.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 66' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 73.56 9.34 5.0 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 116.926 2.195 . . . . 22.37 116.926 164.73 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 67' ' ' ALA . . . . . . . . . . . . . . . -49.45 136.93 15.6 Favored 'General case' 0 C--O 1.261 1.66 0 N-CA-C 107.004 -1.48 . . . . 10.47 107.004 174.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 68' ' ' GLY . . . . . . . . . . . . . . . 80.97 9.62 86.03 Favored Glycine 0 CA--C 1.492 -1.365 0 N-CA-C 116.19 1.236 . . . . 13.39 116.19 171.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 69' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -103.84 109.43 62.2 Favored Pre-proline 0 C--N 1.344 0.335 0 N-CA-C 107.726 -1.212 . . . . 15.32 107.726 -179.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 70' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -69.08 -19.32 39.51 Favored 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 115.882 -2.279 . . . . 14.09 110.269 -174.164 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 71' ' ' THR . . . . . . . . . . . . . 58.5 p -85.23 -2.91 58.57 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-N 119.858 1.208 . . . . 13.31 113.023 -175.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 72' ' ' SER . . . . . . . . . . . . . 48.4 t -78.32 119.95 22.4 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 106.284 -1.746 . . . . 12.86 106.284 -174.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.17 164.26 21.33 Favored 'General case' 0 C--O 1.274 2.364 0 N-CA-C 117.652 2.464 . . . . 44.06 117.652 174.409 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' X' X ' 74' ' ' GLY . . . . . . . . . . . . . . . 177.21 -148.5 8.88 Favored Glycine 0 CA--C 1.487 -1.704 0 C-N-CA 120.089 -1.053 . . . . 13.48 112.633 175.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 75' ' ' LEU . . . . . . . . . . . . . 72.2 mt -127.23 155.38 43.54 Favored 'General case' 0 CA--C 1.492 -1.271 0 N-CA-C 107.493 -1.299 . . . . 15.13 107.493 -173.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 76' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -142.51 148.18 37.22 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 103.082 -2.933 . . . . 25.41 103.082 -162.156 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 77' ' ' CYS . . . . . . . . . . . . . 24.9 t -136.57 114.17 10.29 Favored Pre-proline 0 C--N 1.313 -1.012 0 N-CA-C 104.857 -2.275 . . . . 34.23 104.857 -177.12 172.062 66.055 121.5 106.481 2.043 101.338 120.419 -121.985 1 1 . 1 . 001 ecloud orig full ' X' X ' 78' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -89.12 69.7 2.3 Favored 'Trans proline' 0 CA--C 1.535 0.553 0 CA-C-O 118.311 -0.787 . . . . 33.99 111.691 -178.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 79' ' ' HIS . . . . . 0.532 ' O ' ' NH2' ' X' ' 46' ' ' ARG . 36.1 m80 -170.51 138.51 1.51 Allowed 'General case' 0 C--O 1.268 2.071 0 N-CA-C 102.352 -3.203 . . . . 40.14 102.352 -176.589 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' X' X ' 80' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -52.53 -47.37 66.73 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.645 -0.707 . . . . 57.2 110.601 -171.003 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' X' X ' 81' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -107.48 135.49 48.85 Favored 'General case' 0 CA--C 1.503 -0.856 0 CA-C-O 121.463 0.649 . . . . 48.55 110.869 -174.021 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.41 -49.17 62.13 Favored 'General case' 0 C--O 1.206 -1.22 0 CA-C-N 112.597 -2.092 . . . . 34.49 111.553 170.934 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' X' X ' 83' ' ' SER . . . . . . . . . . . . . 8.1 p -58.48 -4.19 0.37 Allowed 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.373 1.249 . . . . 36.52 114.373 178.145 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 84' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -118.17 28.5 8.33 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.385 -0.822 . . . . 51.17 112.526 176.492 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 85' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.4 115.72 30.86 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 121.94 0.876 . . . . 41.76 113.332 174.702 -121.985 120.419 121.5 101.338 2.043 106.481 66.055 172.062 2 2 . 1 . 001 ecloud orig full ' X' X ' 86' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -77.01 -23.24 52.22 Favored 'General case' 0 CA--C 1.565 1.531 0 N-CA-C 113.295 0.85 . . . . 36.71 113.295 174.455 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 87' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -152.27 137.42 17.39 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.736 -0.602 . . . . 52.85 110.109 -177.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 88' ' ' LEU . . . . . . . . . . . . . 16.1 mt -94.0 148.35 22.24 Favored 'General case' 0 C--O 1.258 1.548 0 O-C-N 121.099 -1.001 . . . . 22.7 110.289 170.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 89' ' ' TRP . . . . . . . . . . . . . 45.6 m0 -108.65 148.26 30.66 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 106.509 -1.663 . . . . 20.68 106.509 -178.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 90' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -83.68 138.29 33.38 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.718 0.294 . . . . 29.67 110.295 175.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 91' ' ' ARG . . . . . 0.469 ' NH2' ' O ' ' X' ' 119' ' ' HOH . 0.2 OUTLIER -125.65 100.59 6.51 Favored 'General case' 0 N--CA 1.438 -1.051 1 N-CA-C 99.956 -4.09 . . . . 20.6 99.956 167.741 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' X' X ' 92' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -87.94 7.65 30.0 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 116.198 1.925 . . . . 18.03 116.198 -176.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 93' ' ' SER . . . . . . . . . . . . . 88.2 p -159.67 154.38 24.36 Favored 'General case' 0 C--O 1.202 -1.447 0 C-N-CA 116.321 -2.152 . . . . 12.21 106.3 169.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 94' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 58.49 32.81 22.53 Favored 'General case' 0 N--CA 1.416 -2.15 0 N-CA-C 114.791 1.404 . . . . 11.38 114.791 179.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 95' ' ' CYS . . . . . . . . . . . . . 12.3 t -74.39 122.24 22.66 Favored 'General case' 0 CA--C 1.584 2.256 0 CA-C-O 121.931 0.872 . . . . 18.94 110.125 176.016 168.9 92.895 -107.209 103.417 2.121 108.832 -61.105 -51.517 1 1 . 1 . 001 ecloud orig full ' X' X ' 96' ' ' LYS . . . . . . . . . . . . . 28.3 mttp -88.46 116.33 26.61 Favored 'General case' 0 CA--C 1.502 -0.872 0 N-CA-C 104.483 -2.414 . . . . 27.15 104.483 175.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -89.81 178.92 6.11 Favored 'General case' 0 N--CA 1.419 -1.998 0 N-CA-C 108.749 -0.834 . . . . 25.19 108.749 -178.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 98' ' ' VAL . . . . . . . . . . . . . 47.3 t -137.27 132.98 46.68 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.21 0 N-CA-C 108.688 -0.856 . . . . 15.53 108.688 -174.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 99' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -105.8 119.88 40.28 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 105.619 -1.993 . . . . 10.7 105.619 173.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 100' ' ' VAL . . . . . . . . . . . . . 55.5 t -111.47 138.81 38.46 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.765 0 N-CA-C 108.828 -0.804 . . . . 11.27 108.828 -179.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 101' ' ' THR . . . . . . . . . . . . 0.321 0.2 OUTLIER -121.23 121.46 37.79 Favored 'General case' 0 N--CA 1.433 -1.305 0 C-N-CA 118.196 -1.401 . . . . 13.36 107.795 172.012 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' X' X ' 102' ' ' CYS . . . . . . . . . . . . . 21.0 m -99.46 155.54 17.5 Favored 'General case' 0 C--O 1.199 -1.578 0 CA-C-O 118.413 -0.804 . . . . 15.57 109.055 -179.881 -48.122 -80.301 -77.969 107.988 2.061 102.107 -71.997 -71.6 1 1 . 1 . 001 ecloud orig full ' X' X ' 103' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -65.13 154.64 37.36 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 120.771 1.623 . . . . 26.39 112.051 160.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 104' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 . . . . . 0 N--CA 1.481 1.092 0 N-CA-C 115.565 1.691 . . . . 33.69 115.565 177.459 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' Y' Y ' 7' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo . . . . . 0 CA--C 1.541 0.858 0 N-CA-C 113.367 0.487 . . . . 31.06 113.367 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' Y' Y ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.51 151.7 21.25 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-O 121.783 0.801 . . . . 28.99 111.979 -172.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 9' ' ' VAL . . . . . . . . . . . . . 45.3 t -78.05 124.6 36.71 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.011 0 N-CA-C 106.914 -1.513 . . . . 26.41 106.914 179.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 10' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -113.11 156.5 23.06 Favored 'General case' 0 C--O 1.213 -0.866 0 C-N-CA 117.355 -1.738 . . . . 31.13 112.157 168.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 11' ' ' SER . . . . . . . . . . . . . 81.0 p -125.72 162.44 25.05 Favored 'General case' 0 N--CA 1.432 -1.326 0 CA-C-N 115.473 -0.785 . . . . 25.74 110.191 -173.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 12' ' ' ARG . . . . . 0.404 ' CG ' ' CZ3' ' Y' ' 32' ' ' TRP . 0.0 OUTLIER -157.07 167.2 31.15 Favored 'General case' 0 CA--C 1.499 -1.01 0 N-CA-C 113.13 0.789 . . . . 32.01 113.13 170.087 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' Y' Y ' 13' ' ' LEU . . . . . . . . . . . . . 69.6 mt -110.18 118.41 36.3 Favored 'General case' 0 N--CA 1.421 -1.899 0 O-C-N 124.224 0.952 . . . . 21.54 108.56 -179.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 14' ' ' VAL . . . . . . . . . . . . . 86.9 t -108.4 136.07 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 CA-C-N 114.159 -1.382 . . . . 20.42 114.065 -177.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.46 -0.18 74.07 Favored Glycine 0 C--O 1.249 1.083 0 CA-C-N 115.05 -0.977 . . . . 22.9 112.79 164.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.51 163.3 46.28 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 118.09 1.996 . . . . 20.33 118.09 171.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 17' ' ' SER . . . . . . . . . . . . . 54.6 p -70.26 -6.65 36.29 Favored 'General case' 0 CA--C 1.475 -1.916 0 CA-C-N 118.315 1.058 . . . . 18.08 113.489 179.156 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 18' ' ' SER . . . . . . . . . . . . . 35.9 p -147.37 178.21 8.6 Favored 'General case' 0 C--O 1.25 1.083 0 N-CA-C 109.088 -0.708 . . . . 18.78 109.088 161.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 19' ' ' ILE . . . . . . . . . . . . . 10.0 pt -74.52 -8.67 11.98 Favored 'Isoleucine or valine' 0 C--O 1.272 2.249 0 N-CA-C 112.213 0.449 . . . . 25.66 112.213 -179.666 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 20' ' ' CYS . . . . . . . . . . . . . 86.9 m -85.09 8.75 16.9 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 115.083 1.512 . . . . 33.1 115.083 173.949 -67.124 -54.042 -89.672 105.55 2.096 103.711 -102.8 -52.075 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 21' ' ' GLU . . . . . . . . . . . . 0.291 1.8 mt-10 -149.39 134.91 18.5 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 104.511 -2.403 . . . . 40.79 104.511 -172.095 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' Y' Y ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.37 -170.49 33.96 Favored Glycine 0 N--CA 1.499 2.868 0 C-N-CA 120.288 -0.958 . . . . 25.28 115.064 167.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 23' ' ' THR . . . . . . . . . . . . 0.336 0.1 OUTLIER -87.41 138.81 31.15 Favored 'General case' 0 N--CA 1.423 -1.8 0 C-N-CA 117.906 -1.518 . . . . 29.87 107.616 -179.701 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' Y' Y ' 24' ' ' VAL . . . . . . . . . . . . . 76.6 t -73.63 122.88 27.56 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.437 0 CA-C-O 118.189 -0.91 . . . . 22.33 108.716 -170.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 25' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -114.96 156.41 25.09 Favored 'General case' 0 C--O 1.244 0.793 0 C-N-CA 119.27 -0.972 . . . . 35.97 110.778 170.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 26' ' ' VAL . . . . . . . . . . . . . 8.7 m -140.57 161.18 24.41 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.825 0 C-N-CA 119.439 -0.904 . . . . 20.4 110.385 -176.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 27' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -153.31 168.32 26.44 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 114.814 1.412 . . . . 27.84 114.814 168.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 28' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -137.29 90.15 2.49 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.353 1.061 . . . . 37.09 109.779 168.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 29' ' ' GLY . . . . . . . . . . . . . . . -11.18 111.73 0.01 OUTLIER Glycine 0 N--CA 1.483 1.819 0 N-CA-C 120.538 2.975 . . . . 34.91 120.538 -149.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 30' ' ' ALA . . . . . 0.447 ' CB ' ' CA ' ' Y' ' 31' ' ' GLN . . . -117.55 -162.18 0.86 Allowed 'General case' 0 C--O 1.257 1.49 1 N-CA-C 91.998 -7.038 . . . . 34.3 91.998 -34.343 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' Y' Y ' 31' ' ' GLN . . . . . 0.447 ' CA ' ' CB ' ' Y' ' 30' ' ' ALA . 23.3 mm100 -100.55 165.57 11.35 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 129.855 3.262 . . . . 48.41 112.736 19.444 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' Y' Y ' 32' ' ' TRP . . . . . 0.404 ' CZ3' ' CG ' ' Y' ' 12' ' ' ARG . 99.8 m95 -65.97 143.83 57.14 Favored 'General case' 0 C--O 1.212 -0.875 0 C-N-CA 119.246 -0.981 . . . . 26.4 112.559 171.177 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' Y' Y ' 33' ' ' ALA . . . . . . . . . . . . . . . -151.41 159.83 44.04 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 105.092 -2.188 . . . . 22.33 105.092 176.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.53 148.52 51.36 Favored 'General case' 0 C--O 1.208 -1.092 0 C-N-CA 118.144 -1.422 . . . . 22.62 109.355 176.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.73 129.06 34.59 Favored 'General case' 0 N--CA 1.427 -1.624 0 C-N-CA 123.657 0.783 . . . . 24.55 110.597 169.451 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' Y' Y ' 36' ' ' CYS . . . . . . . . . . . . . 36.3 m -85.76 125.28 33.11 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 114.663 1.357 . . . . 41.66 114.663 167.968 -51.67 -53.909 -110.566 112.617 2.069 100.243 85.528 171.719 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 37' ' ' ASP . . . . . . . . . . . . . 9.9 t70 . . . . . 0 C--O 1.189 -2.111 0 N-CA-C 107.42 -1.326 . . . . 45.37 107.42 179.443 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' Y' Y ' 44' ' ' SER . . . . . . . . . . . . . 73.9 m . . . . . 0 N--CA 1.471 0.582 0 N-CA-C 112.837 0.681 . . . . 47.18 112.837 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' Y' Y ' 45' ' ' LEU . . . . . . . . . . . . . 3.7 mt -65.7 -33.34 75.66 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 109.349 -0.611 . . . . 41.6 109.349 161.281 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.41 -39.08 69.78 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 114.034 1.124 . . . . 36.52 114.034 -179.803 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' Y' Y ' 47' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -77.53 -25.79 50.5 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 115.798 1.777 . . . . 30.37 115.798 -177.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -57.05 -53.82 53.75 Favored 'General case' 0 CA--C 1.498 -1.025 0 C-N-CA 123.641 0.777 . . . . 44.55 109.038 174.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -54.16 -46.91 72.4 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 125.338 1.649 . . . . 34.75 109.727 -178.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 50' ' ' VAL . . . . . . . . . . . . . 41.1 t -62.01 -41.35 90.68 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.317 0 CA-C-N 115.508 -0.769 . . . . 29.83 112.805 176.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 51' ' ' CYS . . . . . . . . . . . . . 69.4 m -69.8 -53.15 19.58 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 112.432 0.53 . . . . 32.22 112.432 177.335 -71.648 -71.608 -87.19 104.25 2.059 105.444 -86.262 -42.425 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 52' ' ' ARG . . . . . . . . . . . . . 12.6 ttp-105 -44.57 -53.9 6.63 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 124.179 0.924 . . . . 40.81 109.608 168.092 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 53' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -62.83 -25.82 68.45 Favored 'General case' 0 CA--C 1.554 1.122 0 O-C-N 120.878 -1.139 . . . . 44.8 113.743 -176.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 54' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -76.56 -12.85 60.09 Favored 'General case' 0 C--O 1.25 1.086 0 CA-C-N 118.579 0.627 . . . . 33.24 111.165 173.12 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 55' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 65.4 30.01 11.14 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 116.716 2.117 . . . . 36.83 116.716 -167.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 56' ' ' CYS . . . . . . . . . . . . . 38.1 m -96.85 -180.0 4.76 Favored 'General case' 0 CA--C 1.48 -1.749 0 N-CA-C 102.281 -3.229 . . . . 34.53 102.281 169.672 -52.075 -102.8 -89.672 103.711 2.096 105.55 -54.042 -67.124 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 57' ' ' GLY . . . . . . . . . . . . . . . -81.28 -124.78 0.68 Allowed Glycine 0 N--CA 1.485 1.917 0 C-N-CA 120.256 -0.973 . . . . 36.91 110.751 -169.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 58' ' ' SER . . . . . . . . . . . . . 63.2 p -99.03 166.86 11.06 Favored 'General case' 0 C--O 1.249 1.051 0 C-N-CA 120.265 -0.574 . . . . 35.3 111.25 168.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 59' ' ' VAL . . . . . . . . . . . . . 5.3 m -67.92 137.64 24.2 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.885 0 C-N-CA 125.372 1.469 . . . . 32.09 112.779 179.84 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 60' ' ' ASN . . . . . 0.404 ' ND2' ' C ' ' Y' ' 60' ' ' ASN 0.299 0.1 OUTLIER -111.87 -8.11 14.13 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 117.358 2.355 . . . . 35.72 117.358 164.22 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' Y' Y ' 61' ' ' SER . . . . . . . . . . . . . 13.1 p -170.16 157.32 6.31 Favored 'General case' 0 C--O 1.206 -1.222 0 N-CA-C 112.831 0.678 . . . . 30.88 112.831 173.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 62' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -145.89 148.09 32.46 Favored 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 107.258 -1.386 . . . . 39.97 107.258 172.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 63' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -138.3 149.22 45.46 Favored 'General case' 0 C--O 1.25 1.121 0 C-N-CA 119.852 -0.739 . . . . 40.58 111.276 168.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 64' ' ' VAL . . . . . . . . . . . . . 96.7 t -78.74 125.44 38.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 126.537 1.935 . . . . 29.03 107.058 176.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 65' ' ' LEU . . . . . . . . . . . . . 70.8 mt -108.11 148.61 29.58 Favored 'General case' 0 C--O 1.261 1.661 0 C-N-CA 125.33 1.452 . . . . 26.2 113.162 177.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 66' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 72.01 14.85 5.71 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 115.985 1.846 . . . . 28.06 115.985 163.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 67' ' ' ALA . . . . . . . . . . . . . . . -44.71 133.52 5.96 Favored 'General case' 0 C--O 1.264 1.849 0 N-CA-C 109.548 -0.538 . . . . 24.56 109.548 171.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.95 0.97 82.9 Favored Glycine 0 C--O 1.267 2.202 0 C-N-CA 117.094 -2.479 . . . . 21.4 117.098 170.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 69' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -98.06 105.51 28.57 Favored Pre-proline 0 N--CA 1.477 0.897 0 N-CA-C 115.109 1.522 . . . . 22.31 115.109 -179.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 70' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -67.38 -19.76 49.2 Favored 'Trans proline' 0 CA--C 1.487 -1.837 0 C-N-CA 114.059 -3.494 . . . . 21.01 111.976 -170.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 71' ' ' THR . . . . . . . . . . . . . 63.7 p -92.38 6.06 48.35 Favored 'General case' 0 CA--C 1.569 1.703 0 C-N-CA 118.598 -1.241 . . . . 18.88 110.236 -173.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 72' ' ' SER . . . . . . . . . . . . . 11.3 t -83.69 127.26 33.65 Favored 'General case' 0 N--CA 1.427 -1.608 0 N-CA-C 107.625 -1.25 . . . . 24.09 107.625 -176.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 73' ' ' ARG . . . . . 0.487 ' CD ' ' O ' ' Y' ' 112' ' ' HOH . 2.5 ptp180 -139.4 147.46 41.48 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 118.804 -1.158 . . . . 53.31 110.427 -167.169 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' Y' Y ' 74' ' ' GLY . . . . . . . . . . . . . . . -167.83 -166.06 26.28 Favored Glycine 0 N--CA 1.426 -2.018 0 C-N-CA 119.95 -1.119 . . . . 26.04 111.739 -175.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 75' ' ' LEU . . . . . . . . . . . . . 84.9 mt -120.32 148.32 43.88 Favored 'General case' 0 N--CA 1.436 -1.17 0 N-CA-C 107.053 -1.462 . . . . 25.31 107.053 -179.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 76' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -135.06 141.03 46.02 Favored 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 125.888 1.675 . . . . 37.14 106.97 -158.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 77' ' ' CYS . . . . . . . . . . . . . 42.7 t -128.98 110.95 18.44 Favored Pre-proline 0 C--O 1.209 -1.078 0 O-C-N 120.758 -1.214 . . . . 36.45 107.966 173.319 176.038 102.608 127.224 106.684 2.082 105.051 115.983 -154.364 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 78' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -73.32 -11.16 24.68 Favored 'Trans proline' 0 N--CA 1.448 -1.167 0 CA-C-O 117.765 -1.014 . . . . 39.73 114.137 -171.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.24 147.91 26.34 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 115.165 1.543 . . . . 46.37 115.165 170.931 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' Y' Y ' 80' ' ' GLN . . . . . . . . . . . . . 17.3 tp60 -48.82 -55.62 11.08 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 113.923 1.082 . . . . 48.86 113.923 -170.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 81' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -111.54 137.85 48.84 Favored 'General case' 0 CA--C 1.507 -0.694 0 C-N-CA 119.185 -1.006 . . . . 43.2 112.207 -176.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 82' ' ' LEU . . . . . . . . . . . . . 4.5 mp -51.87 -38.01 54.42 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 115.304 1.594 . . . . 45.42 115.304 178.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 83' ' ' SER . . . . . . . . . . . . . 36.5 p -56.4 -23.27 37.08 Favored 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 112.672 0.619 . . . . 42.5 112.672 179.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 84' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -106.84 27.44 8.93 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.991 0.9 . . . . 45.0 109.414 -171.438 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 85' ' ' CYS . . . . . . . . . . . . . 3.6 t -113.02 118.05 33.75 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 115.09 -0.959 . . . . 40.02 112.132 -172.265 -154.364 115.983 127.224 105.051 2.082 106.684 102.608 176.038 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 86' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -86.43 -22.13 26.71 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 115.284 1.587 . . . . 37.88 115.284 -177.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 87' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -155.89 127.42 7.26 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 101.761 -3.422 . . . . 39.95 101.761 -161.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 88' ' ' LEU . . . . . . . . . . . . . 41.6 mt -98.75 146.18 26.16 Favored 'General case' 0 CA--C 1.503 -0.834 0 N-CA-C 107.331 -1.359 . . . . 27.02 107.331 174.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 89' ' ' TRP . . . . . . . . . . . . . 39.6 m0 -100.37 152.64 20.1 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-O 122.181 0.991 . . . . 24.17 111.057 -179.04 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 90' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -89.57 132.01 35.3 Favored 'General case' 0 C--O 1.203 -1.356 0 CA-C-O 118.07 -0.966 . . . . 40.63 109.87 175.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 91' ' ' ARG . . . . . 0.501 ' NH2' ' O ' ' Y' ' 105' ' ' HOH . 5.5 ttm-85 -120.89 103.03 8.75 Favored 'General case' 0 CA--C 1.556 1.187 0 N-CA-C 101.155 -3.646 . . . . 27.57 101.155 168.94 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' Y' Y ' 92' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -92.44 8.3 39.26 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 115.232 1.567 . . . . 24.84 115.232 -171.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 93' ' ' SER . . . . . . . . . . . . . 78.3 p -164.83 152.78 11.79 Favored 'General case' 0 N--CA 1.427 -1.597 0 N-CA-C 105.059 -2.2 . . . . 23.1 105.059 172.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 94' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 56.14 34.69 24.34 Favored 'General case' 0 N--CA 1.419 -1.999 0 O-C-N 124.716 1.26 . . . . 22.09 112.598 -177.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 95' ' ' CYS . . . . . . . . . . . . . 22.2 t -69.75 118.82 13.09 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-O 121.211 0.529 . . . . 30.05 110.806 170.601 171.719 85.528 -110.566 100.243 2.069 112.617 -53.909 -51.67 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 96' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -84.9 119.27 25.17 Favored 'General case' 0 CA--C 1.576 1.959 0 O-C-N 119.682 -1.887 . . . . 36.77 107.715 172.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -94.11 176.87 6.16 Favored 'General case' 0 C--O 1.249 1.037 0 N-CA-C 105.271 -2.122 . . . . 31.76 105.271 -173.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 98' ' ' VAL . . . . . . . . . . . . . 2.0 t -132.74 141.31 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 118.895 -1.122 . . . . 24.9 111.524 179.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 99' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -107.77 124.34 49.9 Favored 'General case' 0 N--CA 1.434 -1.273 0 N-CA-C 107.578 -1.268 . . . . 22.92 107.578 171.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 100' ' ' VAL . . . . . . . . . . . . . 95.0 t -112.8 132.66 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 CA-C-O 121.105 0.479 . . . . 25.12 110.339 178.017 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 101' ' ' THR . . . . . . . . . . . . 0.302 0.5 OUTLIER -117.9 121.5 40.87 Favored 'General case' 0 N--CA 1.433 -1.284 0 C-N-CA 119.359 -0.937 . . . . 29.57 112.318 165.562 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' Y' Y ' 102' ' ' CYS . . . . . . . . . . . . . 5.6 m -104.01 157.33 17.18 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 106.258 -1.756 . . . . 34.71 106.258 -178.838 -42.425 -86.262 -87.19 105.444 2.059 104.25 -71.608 -71.648 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 103' ' ' GLN . . . . . . . . . . . . 0.39 9.4 pt20 -84.65 152.4 23.83 Favored 'General case' 0 CA--C 1.504 -0.795 0 C-N-CA 113.599 -3.24 . . . . 50.21 115.28 165.994 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' Y' Y ' 104' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 . . . . . 0 C--O 1.244 0.798 0 O-C-N 125.1 1.5 . . . . 50.26 114.302 173.33 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 119' ' ' HOH . . . . . 0.469 ' O ' ' NH2' ' X' ' 91' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 121' ' ' HOH . . . . . 0.42 ' O ' ' CD ' ' X' ' 12' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' Y' Y ' 105' ' ' HOH . . . . . 0.501 ' O ' ' NH2' ' Y' ' 91' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' Y' Y ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' Y' Y ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' Y' Y ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' Y' Y ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' Y' Y ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' Y' Y ' 112' ' ' HOH . . . . . 0.487 ' O ' ' CD ' ' Y' ' 73' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' Y' Y ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' Y' Y ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' Y' Y ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' Y' Y ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' Y' Y ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' Y' Y ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' Y' Y ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' Y' Y ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' Y' Y ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' Y' Y ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' Y' Y ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' Y' Y ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' Y' Y ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' Y' Y ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' Y' Y ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' Y' Y ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' Y' Y ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' Y' Y ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' Y' Y ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' Y' Y ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' Y' Y ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' Y' Y ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' Y' Y ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' Y' Y ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' Y' Y ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' Y' Y ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' Y' Y ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' Y' Y ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' Y' Y ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' Y' Y ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' Y' Y ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 7' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo . . . . . 0 N--CA 1.493 1.478 0 N-CA-C 110.928 -0.451 . . . . 22.46 110.928 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.24 161.47 19.31 Favored 'General case' 0 C--O 1.258 1.501 0 CA-C-O 121.546 0.688 . . . . 20.12 111.535 176.294 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 9' ' ' VAL . . . . . . . . . . . . . 36.4 t -81.79 131.32 34.11 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.613 0 N-CA-C 105.876 -1.898 . . . . 18.65 105.876 173.043 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -105.3 147.07 28.52 Favored 'General case' 0 CA--C 1.504 -0.821 0 N-CA-C 108.032 -1.099 . . . . 31.25 108.032 177.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 11' ' ' SER . . . . . . . . . . . . . 93.7 p -130.07 172.99 11.16 Favored 'General case' 0 N--CA 1.429 -1.52 0 C-N-CA 116.963 -1.895 . . . . 14.03 110.595 174.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 12' ' ' ARG . . . . . 0.635 ' HD3' ' O ' ' X' ' 121' ' ' HOH 0.317 0.2 OUTLIER -173.42 154.19 2.55 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.018 -0.992 . . . . 31.91 108.509 -169.867 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 82.5 mt -114.3 119.79 38.18 Favored 'General case' 0 C--O 1.259 1.572 0 N-CA-C 107.103 -1.443 . . . . 11.55 107.103 -177.055 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 14' ' ' VAL . . . . . . . . . . . . . 54.8 t -112.91 134.98 53.82 Favored 'Isoleucine or valine' 0 C--O 1.271 2.219 0 CA-C-O 123.7 1.714 . . . . 10.15 108.664 -169.185 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.66 -6.04 51.88 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 116.303 -2.856 . . . . 10.63 110.893 164.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.44 167.74 35.85 Favored Glycine 0 C--N 1.356 1.643 0 N-CA-C 116.507 1.363 . . . . 12.12 116.507 -176.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 17' ' ' SER . . . . . 0.502 ' HA ' ' CG ' ' Y' ' 94' ' ' TYR . 77.4 p -74.47 -8.18 55.43 Favored 'General case' 0 CA--C 1.49 -1.339 0 C-N-CA 118.033 -1.467 . . . . 15.24 110.649 -176.934 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 18' ' ' SER . . . . . . . . . . . . . 6.7 p -144.81 179.97 6.97 Favored 'General case' 0 CA--C 1.551 1.007 0 O-C-N 123.634 0.583 . . . . 11.27 112.537 158.035 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 19' ' ' ILE . . . . . . . . . . . . . 14.7 pt -72.2 -8.96 12.36 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.699 0 C-N-CA 118.78 -1.168 . . . . 16.05 110.15 179.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 20' ' ' CYS . . . . . . . . . . . . . 84.4 m -83.87 4.4 29.53 Favored 'General case' 0 C--N 1.349 0.559 0 N-CA-C 111.716 0.265 . . . . 26.38 111.716 179.358 -67.564 -47.834 -84.399 109.885 2.149 105.153 -102.369 -63.799 1 1 . 1 . 001 ecloud build full ' X' X ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -152.63 149.7 28.72 Favored 'General case' 0 C--O 1.208 -1.09 0 C-N-CA 118.049 -1.46 . . . . 28.37 112.68 177.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 22' ' ' GLY . . . . . . . . . . . . . . . 148.32 -179.25 25.32 Favored Glycine 0 N--CA 1.43 -1.732 0 C-N-CA 119.086 -1.53 . . . . 9.57 113.376 179.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 23' ' ' THR . . . . . . . . . . . . . 54.9 m -71.2 137.65 48.88 Favored 'General case' 0 N--CA 1.425 -1.683 0 N-CA-C 109.883 -0.414 . . . . 11.06 109.883 177.475 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 24' ' ' VAL . . . . . . . . . . . . . 60.6 t -77.67 131.06 35.44 Favored 'Isoleucine or valine' 0 C--O 1.271 2.227 0 C-N-CA 117.376 -1.73 . . . . 11.16 110.347 -178.335 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 25' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -123.21 146.62 47.66 Favored 'General case' 0 C--O 1.253 1.244 0 CA-C-N 114.132 -1.395 . . . . 32.8 110.322 172.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 26' ' ' VAL . . . . . . . . . . . . . 7.6 m -135.15 166.7 27.43 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.266 0 CA-C-O 122.566 1.174 . . . . 13.37 111.795 -178.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -164.72 140.9 5.88 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.404 -0.962 . . . . 30.47 108.404 -179.516 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 28' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -109.46 -94.06 0.42 Allowed 'General case' 0 CA--C 1.579 2.068 0 CA-C-N 114.655 -1.157 . . . . 39.49 111.45 169.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 29' ' ' GLY . . . . . . . . . . . . . . . -104.7 82.02 0.34 Allowed Glycine 0 N--CA 1.481 1.657 1 N-CA-C 100.119 -5.192 . . . . 34.18 100.119 172.04 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.48 169.53 22.39 Favored 'General case' 0 C--O 1.259 1.604 0 C-N-CA 112.992 -3.483 . . . . 32.95 117.125 -151.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 31' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -71.45 155.02 41.08 Favored 'General case' 0 N--CA 1.413 -2.313 0 CA-C-N 112.008 -2.36 . . . . 40.63 109.439 148.774 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 32' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -72.67 145.96 46.88 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 114.675 -1.148 . . . . 21.33 108.177 169.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 33' ' ' ALA . . . . . . . . . . . . . . . -147.65 155.43 41.76 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 102.61 -3.107 . . . . 13.82 102.61 177.799 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.17 147.73 38.73 Favored 'General case' 0 N--CA 1.434 -1.242 0 N-CA-C 109.468 -0.567 . . . . 10.97 109.468 173.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 35' ' ' LEU . . . . . . . . . . . . . 47.3 tp -86.0 132.57 34.03 Favored 'General case' 0 C--O 1.256 1.444 0 CA-C-O 118.484 -0.769 . . . . 14.85 110.735 167.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 36' ' ' CYS . . . . . . . . . . . . . 35.6 m -95.34 139.86 31.05 Favored 'General case' 0 CA--C 1.467 -2.229 0 CA-C-O 118.37 -0.824 . . . . 29.87 108.883 175.703 -51.517 -61.105 -107.209 108.832 2.121 103.417 92.895 168.9 1 1 . 1 . 001 ecloud build full ' X' X ' 37' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -130.57 155.01 47.23 Favored 'General case' 0 C--O 1.172 -3.024 0 C-N-CA 114.124 -3.03 . . . . 35.64 114.615 176.142 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 38' ' ' SER . . . . . . . . . . . . . 33.1 p . . . . . 1 N--CA 1.543 4.199 0 N-CA-C 117.3 2.333 . . . . 41.25 117.3 135.263 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 43' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 C--O 1.261 1.675 0 N-CA-C 112.489 0.551 . . . . 38.54 112.489 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 44' ' ' SER . . . . . . . . . . . . . 1.1 m -61.84 -16.31 49.21 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 115.508 1.669 . . . . 36.71 115.508 167.839 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 45' ' ' LEU . . . . . . . . . . . . . 46.5 mt -52.49 -51.01 61.55 Favored 'General case' 0 C--O 1.246 0.896 0 O-C-N 123.918 0.761 . . . . 25.48 112.271 176.082 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 46' ' ' ARG . . . . . 0.53 ' NH2' ' O ' ' X' ' 79' ' ' HIS . 23.6 ttm180 -64.09 -35.78 81.88 Favored 'General case' 0 C--O 1.26 1.656 0 C-N-CA 119.863 -0.735 . . . . 23.97 112.546 -179.001 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 47' ' ' TRP . . . . . . . . . . . . . 19.1 m95 -78.02 -30.81 50.17 Favored 'General case' 0 C--O 1.278 2.59 0 C-N-CA 118.997 -1.081 . . . . 12.12 111.082 -173.001 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 48' ' ' GLU . . . . . . . . . . . . . 33.8 tp10 -63.03 -44.11 96.83 Favored 'General case' 0 N--CA 1.433 -1.321 0 CA-C-N 115.285 -0.87 . . . . 14.64 110.467 174.565 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 49' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -58.13 -47.79 82.23 Favored 'General case' 0 C--O 1.245 0.859 0 CA-C-N 119.062 0.847 . . . . 50.87 109.04 176.164 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 50' ' ' VAL . . . . . 0.5 ' O ' ' HG2' ' X' ' 54' ' ' GLN . 50.1 t -58.85 -43.91 89.35 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.2 0 O-C-N 123.874 0.734 . . . . 10.66 111.84 -178.882 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 51' ' ' CYS . . . . . . . . . . . . . 69.6 m -61.65 -47.06 87.07 Favored 'General case' 0 C--O 1.242 0.686 0 O-C-N 121.457 -0.777 . . . . 11.97 110.738 177.118 -71.6 -71.997 -77.969 102.107 2.061 107.988 -80.301 -48.122 1 1 . 1 . 001 ecloud build full ' X' X ' 52' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -73.94 -28.19 61.38 Favored 'General case' 0 N--CA 1.424 -1.771 0 C-N-CA 119.981 -0.688 . . . . 11.54 111.314 -170.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 53' ' ' GLU . . . . . . . . . . . . . 67.7 tt0 -66.06 -27.77 68.33 Favored 'General case' 0 CA--C 1.56 1.331 0 O-C-N 121.348 -0.845 . . . . 31.92 110.375 175.395 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 54' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' X' ' 50' ' ' VAL . 59.2 mm-40 -77.2 -7.81 56.51 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 107.723 -1.214 . . . . 14.84 107.723 174.192 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 55' ' ' GLN . . . . . 0.446 ' HB3' ' O ' ' X' ' 54' ' ' GLN . 17.8 tt0 67.33 29.66 7.41 Favored 'General case' 0 CA--C 1.567 1.618 0 CA-C-O 122.319 1.057 . . . . 30.19 112.88 -172.795 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 56' ' ' CYS . . . . . . . . . . . . . 78.3 m -96.54 -174.48 3.05 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.59 1.156 . . . . 18.99 108.529 171.031 -63.799 -102.369 -84.399 105.153 2.149 109.885 -47.834 -67.564 1 1 . 1 . 001 ecloud build full ' X' X ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.11 -165.83 40.83 Favored Glycine 0 N--CA 1.423 -2.224 0 N-CA-C 105.916 -2.874 . . . . 11.06 105.916 179.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 58' ' ' SER . . . . . . . . . . . . . 73.2 m -74.52 159.78 31.77 Favored 'General case' 0 CA--C 1.485 -1.534 0 N-CA-C 114.547 1.314 . . . . 9.87 114.547 -177.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 59' ' ' VAL . . . . . . . . . . . . . 5.5 p -62.63 132.28 28.35 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.037 0 N-CA-C 105.578 -2.008 . . . . 10.26 105.578 -176.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 60' ' ' ASN . . . . . . . . . . . . 0.539 0.0 OUTLIER -108.9 -12.01 14.94 Favored 'General case' 0 C--O 1.17 -3.108 1 N-CA-C 122.971 4.434 . . . . 31.36 122.971 162.408 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' X' X ' 61' ' ' SER . . . . . . . . . . . . . 25.3 p -170.6 167.69 7.86 Favored 'General case' 0 C--O 1.197 -1.708 0 N-CA-C 106.075 -1.824 . . . . 13.53 106.075 171.295 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 62' ' ' TYR . . . . . 0.479 ' HA ' ' O ' ' X' ' 99' ' ' PHE . 4.6 p90 -159.55 155.81 26.99 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 106.309 -1.738 . . . . 27.97 106.309 178.04 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 63' ' ' ARG . . . . . . . . . . . . . 7.5 ptp85 -146.72 144.06 29.15 Favored 'General case' 0 N--CA 1.423 -1.811 0 N-CA-C 103.019 -2.956 . . . . 30.85 103.019 -178.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 64' ' ' VAL . . . . . . . . . . . . . 57.4 t -83.2 133.15 29.74 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 N-CA-C 106.628 -1.619 . . . . 14.07 106.628 178.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 78.6 mt -114.5 152.05 32.31 Favored 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 125.806 1.642 . . . . 13.56 113.012 -176.09 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 66' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 73.56 9.34 5.0 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 116.926 2.195 . . . . 22.37 116.926 164.73 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 67' ' ' ALA . . . . . . . . . . . . . . . -49.45 136.93 15.6 Favored 'General case' 0 C--O 1.261 1.66 0 N-CA-C 107.004 -1.48 . . . . 10.47 107.004 174.294 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 68' ' ' GLY . . . . . . . . . . . . . . . 80.97 9.62 86.03 Favored Glycine 0 CA--C 1.492 -1.365 0 N-CA-C 116.19 1.236 . . . . 13.39 116.19 171.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 69' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -103.84 109.43 62.2 Favored Pre-proline 0 C--N 1.344 0.335 0 N-CA-C 107.726 -1.212 . . . . 15.32 107.726 -179.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 70' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -69.08 -19.32 39.51 Favored 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 115.882 -2.279 . . . . 14.09 110.269 -174.164 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 71' ' ' THR . . . . . . . . . . . . . 58.5 p -85.23 -2.91 58.57 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-N 119.858 1.208 . . . . 13.31 113.023 -175.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 72' ' ' SER . . . . . . . . . . . . . 48.4 t -78.32 119.95 22.4 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 106.284 -1.746 . . . . 12.86 106.284 -174.97 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 73' ' ' ARG . . . . . 0.538 ' HB3' ' HA ' ' X' ' 92' ' ' ASN . 0.0 OUTLIER -126.17 164.26 21.33 Favored 'General case' 0 C--O 1.274 2.364 0 N-CA-C 117.652 2.464 . . . . 44.06 117.652 174.409 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' X' X ' 74' ' ' GLY . . . . . . . . . . . . . . . 177.21 -148.5 8.88 Favored Glycine 0 CA--C 1.487 -1.704 0 C-N-CA 120.089 -1.053 . . . . 13.48 112.633 175.618 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 75' ' ' LEU . . . . . . . . . . . . . 72.2 mt -127.23 155.38 43.54 Favored 'General case' 0 CA--C 1.492 -1.271 0 N-CA-C 107.493 -1.299 . . . . 15.13 107.493 -173.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 76' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -142.51 148.18 37.22 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 103.082 -2.933 . . . . 25.41 103.082 -162.156 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 77' ' ' CYS . . . . . . . . . . . . . 24.9 t -136.57 114.17 10.29 Favored Pre-proline 0 C--N 1.313 -1.012 0 N-CA-C 104.857 -2.275 . . . . 34.23 104.857 -177.12 172.062 66.055 121.5 106.481 2.043 101.338 120.419 -121.985 1 1 . 1 . 001 ecloud build full ' X' X ' 78' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -89.12 69.7 2.3 Favored 'Trans proline' 0 CA--C 1.535 0.553 0 CA-C-O 118.311 -0.787 . . . . 33.99 111.691 -178.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 79' ' ' HIS . . . . . 0.53 ' O ' ' NH2' ' X' ' 46' ' ' ARG . 36.1 m80 -170.51 138.51 1.51 Allowed 'General case' 0 C--O 1.268 2.071 0 N-CA-C 102.352 -3.203 . . . . 40.14 102.352 -176.589 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 80' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -52.53 -47.37 66.73 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.645 -0.707 . . . . 57.2 110.601 -171.003 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 81' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -107.48 135.49 48.85 Favored 'General case' 0 CA--C 1.503 -0.856 0 CA-C-O 121.463 0.649 . . . . 48.55 110.869 -174.021 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.41 -49.17 62.13 Favored 'General case' 0 C--O 1.206 -1.22 0 CA-C-N 112.597 -2.092 . . . . 34.49 111.553 170.934 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 83' ' ' SER . . . . . . . . . . . . . 8.1 p -58.48 -4.19 0.37 Allowed 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.373 1.249 . . . . 36.52 114.373 178.145 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 84' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -118.17 28.5 8.33 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.385 -0.822 . . . . 51.17 112.526 176.492 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 85' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.4 115.72 30.86 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 121.94 0.876 . . . . 41.76 113.332 174.702 -121.985 120.419 121.5 101.338 2.043 106.481 66.055 172.062 2 2 . 1 . 001 ecloud build full ' X' X ' 86' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -77.01 -23.24 52.22 Favored 'General case' 0 CA--C 1.565 1.531 0 N-CA-C 113.295 0.85 . . . . 36.71 113.295 174.455 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 87' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -152.27 137.42 17.39 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.736 -0.602 . . . . 52.85 110.109 -177.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 88' ' ' LEU . . . . . . . . . . . . . 16.1 mt -94.0 148.35 22.24 Favored 'General case' 0 C--O 1.258 1.548 0 O-C-N 121.099 -1.001 . . . . 22.7 110.289 170.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 89' ' ' TRP . . . . . . . . . . . . . 45.6 m0 -108.65 148.26 30.66 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 106.509 -1.663 . . . . 20.68 106.509 -178.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 90' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -83.68 138.29 33.38 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.718 0.294 . . . . 29.67 110.295 175.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 91' ' ' ARG . . . . . 0.469 ' NH2' ' O ' ' X' ' 119' ' ' HOH . 0.2 OUTLIER -125.65 100.59 6.51 Favored 'General case' 0 N--CA 1.438 -1.051 1 N-CA-C 99.956 -4.09 . . . . 20.6 99.956 167.741 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' X' X ' 92' ' ' ASN . . . . . 0.538 ' HA ' ' HB3' ' X' ' 73' ' ' ARG . 89.9 m-20 -87.94 7.65 30.0 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 116.198 1.925 . . . . 18.03 116.198 -176.533 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 93' ' ' SER . . . . . . . . . . . . . 88.2 p -159.67 154.38 24.36 Favored 'General case' 0 C--O 1.202 -1.447 0 C-N-CA 116.321 -2.152 . . . . 12.21 106.3 169.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 94' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 58.49 32.81 22.53 Favored 'General case' 0 N--CA 1.416 -2.15 0 N-CA-C 114.791 1.404 . . . . 11.38 114.791 179.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 95' ' ' CYS . . . . . . . . . . . . . 12.3 t -74.39 122.24 22.66 Favored 'General case' 0 CA--C 1.584 2.256 0 CA-C-O 121.931 0.872 . . . . 18.94 110.125 176.016 168.9 92.895 -107.209 103.417 2.121 108.832 -61.105 -51.517 1 1 . 1 . 001 ecloud build full ' X' X ' 96' ' ' LYS . . . . . . . . . . . . . 28.3 mttp -88.46 116.33 26.61 Favored 'General case' 0 CA--C 1.502 -0.872 0 N-CA-C 104.483 -2.414 . . . . 27.15 104.483 175.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -89.81 178.92 6.11 Favored 'General case' 0 N--CA 1.419 -1.998 0 N-CA-C 108.749 -0.834 . . . . 25.19 108.749 -178.947 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 98' ' ' VAL . . . . . . . . . . . . . 47.3 t -137.27 132.98 46.68 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.21 0 N-CA-C 108.688 -0.856 . . . . 15.53 108.688 -174.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 99' ' ' PHE . . . . . 0.479 ' O ' ' HA ' ' X' ' 62' ' ' TYR . 13.3 t80 -105.8 119.88 40.28 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 105.619 -1.993 . . . . 10.7 105.619 173.511 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 100' ' ' VAL . . . . . . . . . . . . . 55.5 t -111.47 138.81 38.46 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.765 0 N-CA-C 108.828 -0.804 . . . . 11.27 108.828 -179.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 101' ' ' THR . . . . . 0.514 HG21 ' O ' ' X' ' 131' ' ' HOH 0.321 0.2 OUTLIER -121.23 121.46 37.79 Favored 'General case' 0 N--CA 1.433 -1.305 0 C-N-CA 118.196 -1.401 . . . . 13.36 107.795 172.012 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' X' X ' 102' ' ' CYS . . . . . . . . . . . . . 21.0 m -99.46 155.54 17.5 Favored 'General case' 0 C--O 1.199 -1.578 0 CA-C-O 118.413 -0.804 . . . . 15.57 109.055 -179.881 -48.122 -80.301 -77.969 107.988 2.061 102.107 -71.997 -71.6 1 1 . 1 . 001 ecloud build full ' X' X ' 103' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -65.13 154.64 37.36 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 120.771 1.623 . . . . 26.39 112.051 160.478 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 104' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 . . . . . 0 N--CA 1.481 1.092 0 N-CA-C 115.565 1.691 . . . . 33.69 115.565 177.459 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' Y' Y ' 7' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo . . . . . 0 CA--C 1.541 0.858 0 N-CA-C 113.367 0.487 . . . . 31.06 113.367 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' Y' Y ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.51 151.7 21.25 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-O 121.783 0.801 . . . . 28.99 111.979 -172.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 9' ' ' VAL . . . . . . . . . . . . . 45.3 t -78.05 124.6 36.71 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.011 0 N-CA-C 106.914 -1.513 . . . . 26.41 106.914 179.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 10' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -113.11 156.5 23.06 Favored 'General case' 0 C--O 1.213 -0.866 0 C-N-CA 117.355 -1.738 . . . . 31.13 112.157 168.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 11' ' ' SER . . . . . . . . . . . . . 81.0 p -125.72 162.44 25.05 Favored 'General case' 0 N--CA 1.432 -1.326 0 CA-C-N 115.473 -0.785 . . . . 25.74 110.191 -173.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 12' ' ' ARG . . . . . 0.578 ' HG3' ' CZ3' ' Y' ' 32' ' ' TRP . 0.0 OUTLIER -157.07 167.2 31.15 Favored 'General case' 0 CA--C 1.499 -1.01 0 N-CA-C 113.13 0.789 . . . . 32.01 113.13 170.087 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' Y' Y ' 13' ' ' LEU . . . . . . . . . . . . . 69.6 mt -110.18 118.41 36.3 Favored 'General case' 0 N--CA 1.421 -1.899 0 O-C-N 124.224 0.952 . . . . 21.54 108.56 -179.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 14' ' ' VAL . . . . . . . . . . . . . 86.9 t -108.4 136.07 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 CA-C-N 114.159 -1.382 . . . . 20.42 114.065 -177.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.46 -0.18 74.07 Favored Glycine 0 C--O 1.249 1.083 0 CA-C-N 115.05 -0.977 . . . . 22.9 112.79 164.678 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.51 163.3 46.28 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 118.09 1.996 . . . . 20.33 118.09 171.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 17' ' ' SER . . . . . . . . . . . . . 54.6 p -70.26 -6.65 36.29 Favored 'General case' 0 CA--C 1.475 -1.916 0 CA-C-N 118.315 1.058 . . . . 18.08 113.489 179.156 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 18' ' ' SER . . . . . . . . . . . . . 35.9 p -147.37 178.21 8.6 Favored 'General case' 0 C--O 1.25 1.083 0 N-CA-C 109.088 -0.708 . . . . 18.78 109.088 161.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 19' ' ' ILE . . . . . . . . . . . . . 10.0 pt -74.52 -8.67 11.98 Favored 'Isoleucine or valine' 0 C--O 1.272 2.249 0 N-CA-C 112.213 0.449 . . . . 25.66 112.213 -179.666 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 20' ' ' CYS . . . . . . . . . . . . . 86.9 m -85.09 8.75 16.9 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 115.083 1.512 . . . . 33.1 115.083 173.949 -67.124 -54.042 -89.672 105.55 2.096 103.711 -102.8 -52.075 1 1 . 1 . 001 ecloud build full ' Y' Y ' 21' ' ' GLU . . . . . 0.614 ' HG2' ' HB ' ' Y' ' 101' ' ' THR 0.291 1.8 mt-10 -149.39 134.91 18.5 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 104.511 -2.403 . . . . 40.79 104.511 -172.095 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' Y' Y ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.37 -170.49 33.96 Favored Glycine 0 N--CA 1.499 2.868 0 C-N-CA 120.288 -0.958 . . . . 25.28 115.064 167.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 23' ' ' THR . . . . . . . . . . . . 0.336 0.1 OUTLIER -87.41 138.81 31.15 Favored 'General case' 0 N--CA 1.423 -1.8 0 C-N-CA 117.906 -1.518 . . . . 29.87 107.616 -179.701 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' Y' Y ' 24' ' ' VAL . . . . . . . . . . . . . 76.6 t -73.63 122.88 27.56 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.437 0 CA-C-O 118.189 -0.91 . . . . 22.33 108.716 -170.235 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 25' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -114.96 156.41 25.09 Favored 'General case' 0 C--O 1.244 0.793 0 C-N-CA 119.27 -0.972 . . . . 35.97 110.778 170.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 26' ' ' VAL . . . . . . . . . . . . . 8.7 m -140.57 161.18 24.41 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.825 0 C-N-CA 119.439 -0.904 . . . . 20.4 110.385 -176.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 27' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -153.31 168.32 26.44 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 114.814 1.412 . . . . 27.84 114.814 168.194 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 28' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -137.29 90.15 2.49 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.353 1.061 . . . . 37.09 109.779 168.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 29' ' ' GLY . . . . . . . . . . . . . . . -11.18 111.73 0.01 OUTLIER Glycine 0 N--CA 1.483 1.819 0 N-CA-C 120.538 2.975 . . . . 34.91 120.538 -149.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 30' ' ' ALA . . . . . 0.741 ' HB1' ' HA ' ' Y' ' 31' ' ' GLN . . . -117.55 -162.18 0.86 Allowed 'General case' 0 C--O 1.257 1.49 1 N-CA-C 91.998 -7.038 . . . . 34.3 91.998 -34.343 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' Y' Y ' 31' ' ' GLN . . . . . 0.741 ' HA ' ' HB1' ' Y' ' 30' ' ' ALA . 23.3 mm100 -100.55 165.57 11.35 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 129.855 3.262 . . . . 48.41 112.736 19.444 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' Y' Y ' 32' ' ' TRP . . . . . 0.578 ' CZ3' ' HG3' ' Y' ' 12' ' ' ARG . 99.8 m95 -65.97 143.83 57.14 Favored 'General case' 0 C--O 1.212 -0.875 0 C-N-CA 119.246 -0.981 . . . . 26.4 112.559 171.177 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' Y' Y ' 33' ' ' ALA . . . . . . . . . . . . . . . -151.41 159.83 44.04 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 105.092 -2.188 . . . . 22.33 105.092 176.08 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.53 148.52 51.36 Favored 'General case' 0 C--O 1.208 -1.092 0 C-N-CA 118.144 -1.422 . . . . 22.62 109.355 176.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.73 129.06 34.59 Favored 'General case' 0 N--CA 1.427 -1.624 0 C-N-CA 123.657 0.783 . . . . 24.55 110.597 169.451 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' Y' Y ' 36' ' ' CYS . . . . . . . . . . . . . 36.3 m -85.76 125.28 33.11 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 114.663 1.357 . . . . 41.66 114.663 167.968 -51.67 -53.909 -110.566 112.617 2.069 100.243 85.528 171.719 1 1 . 1 . 001 ecloud build full ' Y' Y ' 37' ' ' ASP . . . . . 0.436 ' HA ' ' O ' ' Y' ' 129' ' ' HOH . 9.9 t70 . . . . . 0 C--O 1.189 -2.111 0 N-CA-C 107.42 -1.326 . . . . 45.37 107.42 179.443 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 44' ' ' SER . . . . . . . . . . . . . 73.9 m . . . . . 0 N--CA 1.471 0.582 0 N-CA-C 112.837 0.681 . . . . 47.18 112.837 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' Y' Y ' 45' ' ' LEU . . . . . . . . . . . . . 3.7 mt -65.7 -33.34 75.66 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 109.349 -0.611 . . . . 41.6 109.349 161.281 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.41 -39.08 69.78 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 114.034 1.124 . . . . 36.52 114.034 -179.803 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' Y' Y ' 47' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -77.53 -25.79 50.5 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 115.798 1.777 . . . . 30.37 115.798 -177.427 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -57.05 -53.82 53.75 Favored 'General case' 0 CA--C 1.498 -1.025 0 C-N-CA 123.641 0.777 . . . . 44.55 109.038 174.513 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -54.16 -46.91 72.4 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 125.338 1.649 . . . . 34.75 109.727 -178.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 50' ' ' VAL . . . . . 0.423 ' O ' ' HG2' ' Y' ' 54' ' ' GLN . 41.1 t -62.01 -41.35 90.68 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.317 0 CA-C-N 115.508 -0.769 . . . . 29.83 112.805 176.216 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' Y' Y ' 51' ' ' CYS . . . . . 0.524 ' SG ' HG12 ' Y' ' 59' ' ' VAL . 69.4 m -69.8 -53.15 19.58 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 112.432 0.53 . . . . 32.22 112.432 177.335 -71.648 -71.608 -87.19 104.25 2.059 105.444 -86.262 -42.425 2 2 . 1 . 001 ecloud build full ' Y' Y ' 52' ' ' ARG . . . . . . . . . . . . . 12.6 ttp-105 -44.57 -53.9 6.63 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 124.179 0.924 . . . . 40.81 109.608 168.092 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 53' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -62.83 -25.82 68.45 Favored 'General case' 0 CA--C 1.554 1.122 0 O-C-N 120.878 -1.139 . . . . 44.8 113.743 -176.168 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 54' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' Y' ' 50' ' ' VAL . 33.4 mm-40 -76.56 -12.85 60.09 Favored 'General case' 0 C--O 1.25 1.086 0 CA-C-N 118.579 0.627 . . . . 33.24 111.165 173.12 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' Y' Y ' 55' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 65.4 30.01 11.14 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 116.716 2.117 . . . . 36.83 116.716 -167.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 56' ' ' CYS . . . . . . . . . . . . . 38.1 m -96.85 -180.0 4.76 Favored 'General case' 0 CA--C 1.48 -1.749 0 N-CA-C 102.281 -3.229 . . . . 34.53 102.281 169.672 -52.075 -102.8 -89.672 103.711 2.096 105.55 -54.042 -67.124 1 1 . 1 . 001 ecloud build full ' Y' Y ' 57' ' ' GLY . . . . . . . . . . . . . . . -81.28 -124.78 0.68 Allowed Glycine 0 N--CA 1.485 1.917 0 C-N-CA 120.256 -0.973 . . . . 36.91 110.751 -169.929 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 58' ' ' SER . . . . . . . . . . . . . 63.2 p -99.03 166.86 11.06 Favored 'General case' 0 C--O 1.249 1.051 0 C-N-CA 120.265 -0.574 . . . . 35.3 111.25 168.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 59' ' ' VAL . . . . . 0.524 HG12 ' SG ' ' Y' ' 51' ' ' CYS . 5.3 m -67.92 137.64 24.2 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.885 0 C-N-CA 125.372 1.469 . . . . 32.09 112.779 179.84 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' Y' Y ' 60' ' ' ASN . . . . . . . . . . . . 0.299 36.0 p30 -111.87 -8.11 14.13 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 117.358 2.355 . . . . 35.72 117.358 164.22 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' Y' Y ' 61' ' ' SER . . . . . . . . . . . . . 13.1 p -170.16 157.32 6.31 Favored 'General case' 0 C--O 1.206 -1.222 0 N-CA-C 112.831 0.678 . . . . 30.88 112.831 173.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 62' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -145.89 148.09 32.46 Favored 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 107.258 -1.386 . . . . 39.97 107.258 172.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 63' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -138.3 149.22 45.46 Favored 'General case' 0 C--O 1.25 1.121 0 C-N-CA 119.852 -0.739 . . . . 40.58 111.276 168.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 64' ' ' VAL . . . . . . . . . . . . . 96.7 t -78.74 125.44 38.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 126.537 1.935 . . . . 29.03 107.058 176.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 65' ' ' LEU . . . . . . . . . . . . . 70.8 mt -108.11 148.61 29.58 Favored 'General case' 0 C--O 1.261 1.661 0 C-N-CA 125.33 1.452 . . . . 26.2 113.162 177.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 66' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 72.01 14.85 5.71 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 115.985 1.846 . . . . 28.06 115.985 163.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 67' ' ' ALA . . . . . . . . . . . . . . . -44.71 133.52 5.96 Favored 'General case' 0 C--O 1.264 1.849 0 N-CA-C 109.548 -0.538 . . . . 24.56 109.548 171.355 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.95 0.97 82.9 Favored Glycine 0 C--O 1.267 2.202 0 C-N-CA 117.094 -2.479 . . . . 21.4 117.098 170.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 69' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -98.06 105.51 28.57 Favored Pre-proline 0 N--CA 1.477 0.897 0 N-CA-C 115.109 1.522 . . . . 22.31 115.109 -179.188 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 70' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -67.38 -19.76 49.2 Favored 'Trans proline' 0 CA--C 1.487 -1.837 0 C-N-CA 114.059 -3.494 . . . . 21.01 111.976 -170.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 71' ' ' THR . . . . . . . . . . . . . 63.7 p -92.38 6.06 48.35 Favored 'General case' 0 CA--C 1.569 1.703 0 C-N-CA 118.598 -1.241 . . . . 18.88 110.236 -173.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 72' ' ' SER . . . . . . . . . . . . . 11.3 t -83.69 127.26 33.65 Favored 'General case' 0 N--CA 1.427 -1.608 0 N-CA-C 107.625 -1.25 . . . . 24.09 107.625 -176.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 73' ' ' ARG . . . . . 0.833 ' HD3' ' O ' ' Y' ' 112' ' ' HOH . 2.5 ptp180 -139.4 147.46 41.48 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 118.804 -1.158 . . . . 53.31 110.427 -167.169 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' Y' Y ' 74' ' ' GLY . . . . . . . . . . . . . . . -167.83 -166.06 26.28 Favored Glycine 0 N--CA 1.426 -2.018 0 C-N-CA 119.95 -1.119 . . . . 26.04 111.739 -175.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 75' ' ' LEU . . . . . . . . . . . . . 84.9 mt -120.32 148.32 43.88 Favored 'General case' 0 N--CA 1.436 -1.17 0 N-CA-C 107.053 -1.462 . . . . 25.31 107.053 -179.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 76' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -135.06 141.03 46.02 Favored 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 125.888 1.675 . . . . 37.14 106.97 -158.889 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 77' ' ' CYS . . . . . . . . . . . . . 42.7 t -128.98 110.95 18.44 Favored Pre-proline 0 C--O 1.209 -1.078 0 O-C-N 120.758 -1.214 . . . . 36.45 107.966 173.319 176.038 102.608 127.224 106.684 2.082 105.051 115.983 -154.364 1 1 . 1 . 001 ecloud build full ' Y' Y ' 78' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -73.32 -11.16 24.68 Favored 'Trans proline' 0 N--CA 1.448 -1.167 0 CA-C-O 117.765 -1.014 . . . . 39.73 114.137 -171.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.24 147.91 26.34 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 115.165 1.543 . . . . 46.37 115.165 170.931 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' Y' Y ' 80' ' ' GLN . . . . . . . . . . . . . 17.3 tp60 -48.82 -55.62 11.08 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 113.923 1.082 . . . . 48.86 113.923 -170.219 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 81' ' ' LYS . . . . . 0.801 ' O ' ' HG2' ' Y' ' 84' ' ' GLN . 14.7 mtpt -111.54 137.85 48.84 Favored 'General case' 0 CA--C 1.507 -0.694 0 C-N-CA 119.185 -1.006 . . . . 43.2 112.207 -176.967 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' Y' Y ' 82' ' ' LEU . . . . . . . . . . . . . 4.5 mp -51.87 -38.01 54.42 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 115.304 1.594 . . . . 45.42 115.304 178.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 83' ' ' SER . . . . . . . . . . . . . 36.5 p -56.4 -23.27 37.08 Favored 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 112.672 0.619 . . . . 42.5 112.672 179.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 84' ' ' GLN . . . . . 0.801 ' HG2' ' O ' ' Y' ' 81' ' ' LYS . 3.1 pt20 -106.84 27.44 8.93 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.991 0.9 . . . . 45.0 109.414 -171.438 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' Y' Y ' 85' ' ' CYS . . . . . . . . . . . . . 3.6 t -113.02 118.05 33.75 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 115.09 -0.959 . . . . 40.02 112.132 -172.265 -154.364 115.983 127.224 105.051 2.082 106.684 102.608 176.038 1 1 . 1 . 001 ecloud build full ' Y' Y ' 86' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -86.43 -22.13 26.71 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 115.284 1.587 . . . . 37.88 115.284 -177.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 87' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -155.89 127.42 7.26 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 101.761 -3.422 . . . . 39.95 101.761 -161.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 88' ' ' LEU . . . . . . . . . . . . . 41.6 mt -98.75 146.18 26.16 Favored 'General case' 0 CA--C 1.503 -0.834 0 N-CA-C 107.331 -1.359 . . . . 27.02 107.331 174.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 89' ' ' TRP . . . . . . . . . . . . . 39.6 m0 -100.37 152.64 20.1 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-O 122.181 0.991 . . . . 24.17 111.057 -179.04 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 90' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -89.57 132.01 35.3 Favored 'General case' 0 C--O 1.203 -1.356 0 CA-C-O 118.07 -0.966 . . . . 40.63 109.87 175.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 91' ' ' ARG . . . . . 0.501 ' NH2' ' O ' ' Y' ' 105' ' ' HOH . 5.5 ttm-85 -120.89 103.03 8.75 Favored 'General case' 0 CA--C 1.556 1.187 0 N-CA-C 101.155 -3.646 . . . . 27.57 101.155 168.94 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' Y' Y ' 92' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -92.44 8.3 39.26 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 115.232 1.567 . . . . 24.84 115.232 -171.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 93' ' ' SER . . . . . . . . . . . . . 78.3 p -164.83 152.78 11.79 Favored 'General case' 0 N--CA 1.427 -1.597 0 N-CA-C 105.059 -2.2 . . . . 23.1 105.059 172.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 94' ' ' TYR . . . . . 0.502 ' CG ' ' HA ' ' X' ' 17' ' ' SER . 83.5 m-85 56.14 34.69 24.34 Favored 'General case' 0 N--CA 1.419 -1.999 0 O-C-N 124.716 1.26 . . . . 22.09 112.598 -177.734 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' Y' Y ' 95' ' ' CYS . . . . . . . . . . . . . 22.2 t -69.75 118.82 13.09 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-O 121.211 0.529 . . . . 30.05 110.806 170.601 171.719 85.528 -110.566 100.243 2.069 112.617 -53.909 -51.67 1 1 . 1 . 001 ecloud build full ' Y' Y ' 96' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -84.9 119.27 25.17 Favored 'General case' 0 CA--C 1.576 1.959 0 O-C-N 119.682 -1.887 . . . . 36.77 107.715 172.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -94.11 176.87 6.16 Favored 'General case' 0 C--O 1.249 1.037 0 N-CA-C 105.271 -2.122 . . . . 31.76 105.271 -173.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 98' ' ' VAL . . . . . . . . . . . . . 2.0 t -132.74 141.31 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 118.895 -1.122 . . . . 24.9 111.524 179.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 99' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -107.77 124.34 49.9 Favored 'General case' 0 N--CA 1.434 -1.273 0 N-CA-C 107.578 -1.268 . . . . 22.92 107.578 171.269 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 100' ' ' VAL . . . . . . . . . . . . . 95.0 t -112.8 132.66 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 CA-C-O 121.105 0.479 . . . . 25.12 110.339 178.017 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 101' ' ' THR . . . . . 0.614 ' HB ' ' HG2' ' Y' ' 21' ' ' GLU 0.302 0.5 OUTLIER -117.9 121.5 40.87 Favored 'General case' 0 N--CA 1.433 -1.284 0 C-N-CA 119.359 -0.937 . . . . 29.57 112.318 165.562 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' Y' Y ' 102' ' ' CYS . . . . . . . . . . . . . 5.6 m -104.01 157.33 17.18 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 106.258 -1.756 . . . . 34.71 106.258 -178.838 -42.425 -86.262 -87.19 105.444 2.059 104.25 -71.608 -71.648 1 1 . 1 . 001 ecloud build full ' Y' Y ' 103' ' ' GLN . . . . . . . . . . . . 0.39 9.4 pt20 -84.65 152.4 23.83 Favored 'General case' 0 CA--C 1.504 -0.795 0 C-N-CA 113.599 -3.24 . . . . 50.21 115.28 165.994 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' Y' Y ' 104' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 . . . . . 0 C--O 1.244 0.798 0 O-C-N 125.1 1.5 . . . . 50.26 114.302 173.33 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 107' ' ' HOH . . . . . 0.459 ' O ' HG23 ' X' ' 101' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 119' ' ' HOH . . . . . 0.469 ' O ' ' NH2' ' X' ' 91' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 121' ' ' HOH . . . . . 0.635 ' O ' ' HD3' ' X' ' 12' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 131' ' ' HOH . . . . . 0.514 ' O ' HG21 ' X' ' 101' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' Y' Y ' 105' ' ' HOH . . . . . 0.501 ' O ' ' NH2' ' Y' ' 91' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' Y' Y ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' Y' Y ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' Y' Y ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' Y' Y ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' Y' Y ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' Y' Y ' 112' ' ' HOH . . . . . 0.833 ' O ' ' HD3' ' Y' ' 73' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' Y' Y ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' Y' Y ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' Y' Y ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' Y' Y ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' Y' Y ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' Y' Y ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' Y' Y ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' Y' Y ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' Y' Y ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' Y' Y ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' Y' Y ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' Y' Y ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' Y' Y ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' Y' Y ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' Y' Y ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' Y' Y ' 129' ' ' HOH . . . . . 0.436 ' O ' ' HA ' ' Y' ' 37' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' Y' Y ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' Y' Y ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' Y' Y ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' Y' Y ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' Y' Y ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' Y' Y ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' Y' Y ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' Y' Y ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' Y' Y ' 139' ' ' HOH . . . . . 0.558 ' O ' ' HB2' ' Y' ' 31' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' Y' Y ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' Y' Y ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' Y' Y ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' Y' Y ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 7' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo . . . . . 0 N--CA 1.493 1.478 0 N-CA-C 110.928 -0.451 . . . . 22.46 110.928 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.24 161.47 19.31 Favored 'General case' 0 C--O 1.258 1.501 0 CA-C-O 121.546 0.688 . . . . 20.12 111.535 176.294 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 9' ' ' VAL . . . . . . . . . . . . . 36.4 t -81.79 131.32 34.11 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.613 0 N-CA-C 105.876 -1.898 . . . . 18.65 105.876 173.043 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -105.3 147.07 28.52 Favored 'General case' 0 CA--C 1.504 -0.821 0 N-CA-C 108.032 -1.099 . . . . 31.25 108.032 177.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 11' ' ' SER . . . . . . . . . . . . . 93.7 p -130.07 172.99 11.16 Favored 'General case' 0 N--CA 1.429 -1.52 0 C-N-CA 116.963 -1.895 . . . . 14.03 110.595 174.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 12' ' ' ARG . . . . . 0.635 ' HD3' ' O ' ' X' ' 121' ' ' HOH 0.317 0.2 OUTLIER -173.42 154.19 2.55 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.018 -0.992 . . . . 31.91 108.509 -169.867 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 82.5 mt -114.3 119.79 38.18 Favored 'General case' 0 C--O 1.259 1.572 0 N-CA-C 107.103 -1.443 . . . . 11.55 107.103 -177.055 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 14' ' ' VAL . . . . . . . . . . . . . 54.8 t -112.91 134.98 53.82 Favored 'Isoleucine or valine' 0 C--O 1.271 2.219 0 CA-C-O 123.7 1.714 . . . . 10.15 108.664 -169.185 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.66 -6.04 51.88 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 116.303 -2.856 . . . . 10.63 110.893 164.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.44 167.74 35.85 Favored Glycine 0 C--N 1.356 1.643 0 N-CA-C 116.507 1.363 . . . . 12.12 116.507 -176.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 17' ' ' SER . . . . . 0.502 ' HA ' ' CG ' ' Y' ' 94' ' ' TYR . 77.4 p -74.47 -8.18 55.43 Favored 'General case' 0 CA--C 1.49 -1.339 0 C-N-CA 118.033 -1.467 . . . . 15.24 110.649 -176.934 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 18' ' ' SER . . . . . . . . . . . . . 6.7 p -144.81 179.97 6.97 Favored 'General case' 0 CA--C 1.551 1.007 0 O-C-N 123.634 0.583 . . . . 11.27 112.537 158.035 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 19' ' ' ILE . . . . . . . . . . . . . 14.7 pt -72.2 -8.96 12.36 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.699 0 C-N-CA 118.78 -1.168 . . . . 16.05 110.15 179.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 20' ' ' CYS . . . . . . . . . . . . . 84.4 m -83.87 4.4 29.53 Favored 'General case' 0 C--N 1.349 0.559 0 N-CA-C 111.716 0.265 . . . . 26.38 111.716 179.358 -67.564 -47.834 -84.399 109.885 2.149 105.153 -102.369 -63.799 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -152.63 149.7 28.72 Favored 'General case' 0 C--O 1.208 -1.09 0 C-N-CA 118.049 -1.46 . . . . 28.37 112.68 177.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 22' ' ' GLY . . . . . . . . . . . . . . . 148.32 -179.25 25.32 Favored Glycine 0 N--CA 1.43 -1.732 0 C-N-CA 119.086 -1.53 . . . . 9.57 113.376 179.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 23' ' ' THR . . . . . . . . . . . . . 54.9 m -71.2 137.65 48.88 Favored 'General case' 0 N--CA 1.425 -1.683 0 N-CA-C 109.883 -0.414 . . . . 11.06 109.883 177.475 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 24' ' ' VAL . . . . . . . . . . . . . 60.6 t -77.67 131.06 35.44 Favored 'Isoleucine or valine' 0 C--O 1.271 2.227 0 C-N-CA 117.376 -1.73 . . . . 11.16 110.347 -178.335 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 25' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -123.21 146.62 47.66 Favored 'General case' 0 C--O 1.253 1.244 0 CA-C-N 114.132 -1.395 . . . . 32.8 110.322 172.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 26' ' ' VAL . . . . . . . . . . . . . 7.6 m -135.15 166.7 27.43 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.266 0 CA-C-O 122.566 1.174 . . . . 13.37 111.795 -178.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -164.72 140.9 5.88 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.404 -0.962 . . . . 30.47 108.404 -179.516 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 28' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -109.46 -94.06 0.42 Allowed 'General case' 0 CA--C 1.579 2.068 0 CA-C-N 114.655 -1.157 . . . . 39.49 111.45 169.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 29' ' ' GLY . . . . . . . . . . . . . . . -104.7 82.02 0.34 Allowed Glycine 0 N--CA 1.481 1.657 1 N-CA-C 100.119 -5.192 . . . . 34.18 100.119 172.04 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.48 169.53 22.39 Favored 'General case' 0 C--O 1.259 1.604 0 C-N-CA 112.992 -3.483 . . . . 32.95 117.125 -151.617 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 31' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -71.45 155.02 41.08 Favored 'General case' 0 N--CA 1.413 -2.313 0 CA-C-N 112.008 -2.36 . . . . 40.63 109.439 148.774 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 32' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -72.67 145.96 46.88 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 114.675 -1.148 . . . . 21.33 108.177 169.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 33' ' ' ALA . . . . . . . . . . . . . . . -147.65 155.43 41.76 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 102.61 -3.107 . . . . 13.82 102.61 177.799 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.17 147.73 38.73 Favored 'General case' 0 N--CA 1.434 -1.242 0 N-CA-C 109.468 -0.567 . . . . 10.97 109.468 173.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 35' ' ' LEU . . . . . . . . . . . . . 47.3 tp -86.0 132.57 34.03 Favored 'General case' 0 C--O 1.256 1.444 0 CA-C-O 118.484 -0.769 . . . . 14.85 110.735 167.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 36' ' ' CYS . . . . . . . . . . . . . 35.6 m -95.34 139.86 31.05 Favored 'General case' 0 CA--C 1.467 -2.229 0 CA-C-O 118.37 -0.824 . . . . 29.87 108.883 175.703 -51.517 -61.105 -107.209 108.832 2.121 103.417 92.895 168.9 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 37' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -130.57 155.01 47.23 Favored 'General case' 0 C--O 1.172 -3.024 0 C-N-CA 114.124 -3.03 . . . . 35.64 114.615 176.142 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 38' ' ' SER . . . . . . . . . . . . . 33.1 p . . . . . 1 N--CA 1.543 4.199 0 N-CA-C 117.3 2.333 . . . . 41.25 117.3 135.263 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 43' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 C--O 1.261 1.675 0 N-CA-C 112.489 0.551 . . . . 38.54 112.489 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 44' ' ' SER . . . . . . . . . . . . . 1.1 m -61.84 -16.31 49.21 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 115.508 1.669 . . . . 36.71 115.508 167.839 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 45' ' ' LEU . . . . . . . . . . . . . 46.5 mt -52.49 -51.01 61.55 Favored 'General case' 0 C--O 1.246 0.896 0 O-C-N 123.918 0.761 . . . . 25.48 112.271 176.082 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 46' ' ' ARG . . . . . 0.53 ' NH2' ' O ' ' X' ' 79' ' ' HIS . 23.6 ttm180 -64.09 -35.78 81.88 Favored 'General case' 0 C--O 1.26 1.656 0 C-N-CA 119.863 -0.735 . . . . 23.97 112.546 -179.001 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 47' ' ' TRP . . . . . . . . . . . . . 19.1 m95 -78.02 -30.81 50.17 Favored 'General case' 0 C--O 1.278 2.59 0 C-N-CA 118.997 -1.081 . . . . 12.12 111.082 -173.001 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 48' ' ' GLU . . . . . . . . . . . . . 33.8 tp10 -63.03 -44.11 96.83 Favored 'General case' 0 N--CA 1.433 -1.321 0 CA-C-N 115.285 -0.87 . . . . 14.64 110.467 174.565 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 49' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -58.13 -47.79 82.23 Favored 'General case' 0 C--O 1.245 0.859 0 CA-C-N 119.062 0.847 . . . . 50.87 109.04 176.164 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 50' ' ' VAL . . . . . 0.5 ' O ' ' HG2' ' X' ' 54' ' ' GLN . 50.1 t -58.85 -43.91 89.35 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.2 0 O-C-N 123.874 0.734 . . . . 10.66 111.84 -178.882 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 51' ' ' CYS . . . . . . . . . . . . . 69.6 m -61.65 -47.06 87.07 Favored 'General case' 0 C--O 1.242 0.686 0 O-C-N 121.457 -0.777 . . . . 11.97 110.738 177.118 -71.6 -71.997 -77.969 102.107 2.061 107.988 -80.301 -48.122 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 52' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -73.94 -28.19 61.38 Favored 'General case' 0 N--CA 1.424 -1.771 0 C-N-CA 119.981 -0.688 . . . . 11.54 111.314 -170.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 53' ' ' GLU . . . . . . . . . . . . . 67.7 tt0 -66.06 -27.77 68.33 Favored 'General case' 0 CA--C 1.56 1.331 0 O-C-N 121.348 -0.845 . . . . 31.92 110.375 175.395 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 54' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' X' ' 50' ' ' VAL . 59.2 mm-40 -77.2 -7.81 56.51 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 107.723 -1.214 . . . . 14.84 107.723 174.192 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 55' ' ' GLN . . . . . 0.446 ' HB3' ' O ' ' X' ' 54' ' ' GLN . 17.8 tt0 67.33 29.66 7.41 Favored 'General case' 0 CA--C 1.567 1.618 0 CA-C-O 122.319 1.057 . . . . 30.19 112.88 -172.795 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 56' ' ' CYS . . . . . . . . . . . . . 78.3 m -96.54 -174.48 3.05 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.59 1.156 . . . . 18.99 108.529 171.031 -63.799 -102.369 -84.399 105.153 2.149 109.885 -47.834 -67.564 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.11 -165.83 40.83 Favored Glycine 0 N--CA 1.423 -2.224 0 N-CA-C 105.916 -2.874 . . . . 11.06 105.916 179.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 58' ' ' SER . . . . . . . . . . . . . 73.2 m -74.52 159.78 31.77 Favored 'General case' 0 CA--C 1.485 -1.534 0 N-CA-C 114.547 1.314 . . . . 9.87 114.547 -177.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 59' ' ' VAL . . . . . . . . . . . . . 5.5 p -62.63 132.28 28.35 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.037 0 N-CA-C 105.578 -2.008 . . . . 10.26 105.578 -176.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 60' ' ' ASN . . . . . . . . . . . . 0.539 0.0 OUTLIER -108.9 -12.01 14.94 Favored 'General case' 0 C--O 1.17 -3.108 1 N-CA-C 122.971 4.434 . . . . 31.36 122.971 162.408 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' X' X ' 61' ' ' SER . . . . . . . . . . . . . 25.3 p -170.6 167.69 7.86 Favored 'General case' 0 C--O 1.197 -1.708 0 N-CA-C 106.075 -1.824 . . . . 13.53 106.075 171.295 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 62' ' ' TYR . . . . . 0.479 ' HA ' ' O ' ' X' ' 99' ' ' PHE . 4.6 p90 -159.55 155.81 26.99 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 106.309 -1.738 . . . . 27.97 106.309 178.04 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 63' ' ' ARG . . . . . . . . . . . . . 7.5 ptp85 -146.72 144.06 29.15 Favored 'General case' 0 N--CA 1.423 -1.811 0 N-CA-C 103.019 -2.956 . . . . 30.85 103.019 -178.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 64' ' ' VAL . . . . . . . . . . . . . 57.4 t -83.2 133.15 29.74 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 N-CA-C 106.628 -1.619 . . . . 14.07 106.628 178.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 78.6 mt -114.5 152.05 32.31 Favored 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 125.806 1.642 . . . . 13.56 113.012 -176.09 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 66' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 73.56 9.34 5.0 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 116.926 2.195 . . . . 22.37 116.926 164.73 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 67' ' ' ALA . . . . . . . . . . . . . . . -49.45 136.93 15.6 Favored 'General case' 0 C--O 1.261 1.66 0 N-CA-C 107.004 -1.48 . . . . 10.47 107.004 174.294 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 68' ' ' GLY . . . . . . . . . . . . . . . 80.97 9.62 86.03 Favored Glycine 0 CA--C 1.492 -1.365 0 N-CA-C 116.19 1.236 . . . . 13.39 116.19 171.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 69' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -103.84 109.43 62.2 Favored Pre-proline 0 C--N 1.344 0.335 0 N-CA-C 107.726 -1.212 . . . . 15.32 107.726 -179.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 70' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -69.08 -19.32 39.51 Favored 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 115.882 -2.279 . . . . 14.09 110.269 -174.164 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 71' ' ' THR . . . . . . . . . . . . . 58.5 p -85.23 -2.91 58.57 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-N 119.858 1.208 . . . . 13.31 113.023 -175.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 72' ' ' SER . . . . . . . . . . . . . 48.4 t -78.32 119.95 22.4 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 106.284 -1.746 . . . . 12.86 106.284 -174.97 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 73' ' ' ARG . . . . . 0.538 ' HB3' ' HA ' ' X' ' 92' ' ' ASN . 0.0 OUTLIER -126.17 164.26 21.33 Favored 'General case' 0 C--O 1.274 2.364 0 N-CA-C 117.652 2.464 . . . . 44.06 117.652 174.409 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' X' X ' 74' ' ' GLY . . . . . . . . . . . . . . . 177.21 -148.5 8.88 Favored Glycine 0 CA--C 1.487 -1.704 0 C-N-CA 120.089 -1.053 . . . . 13.48 112.633 175.618 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 75' ' ' LEU . . . . . . . . . . . . . 72.2 mt -127.23 155.38 43.54 Favored 'General case' 0 CA--C 1.492 -1.271 0 N-CA-C 107.493 -1.299 . . . . 15.13 107.493 -173.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 76' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -142.51 148.18 37.22 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 103.082 -2.933 . . . . 25.41 103.082 -162.156 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 77' ' ' CYS . . . . . . . . . . . . . 24.9 t -136.57 114.17 10.29 Favored Pre-proline 0 C--N 1.313 -1.012 0 N-CA-C 104.857 -2.275 . . . . 34.23 104.857 -177.12 172.062 66.055 121.5 106.481 2.043 101.338 120.419 -121.985 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 78' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -89.12 69.7 2.3 Favored 'Trans proline' 0 CA--C 1.535 0.553 0 CA-C-O 118.311 -0.787 . . . . 33.99 111.691 -178.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 79' ' ' HIS . . . . . 0.53 ' O ' ' NH2' ' X' ' 46' ' ' ARG . 36.1 m80 -170.51 138.51 1.51 Allowed 'General case' 0 C--O 1.268 2.071 0 N-CA-C 102.352 -3.203 . . . . 40.14 102.352 -176.589 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 80' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -52.53 -47.37 66.73 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.645 -0.707 . . . . 57.2 110.601 -171.003 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 81' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -107.48 135.49 48.85 Favored 'General case' 0 CA--C 1.503 -0.856 0 CA-C-O 121.463 0.649 . . . . 48.55 110.869 -174.021 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.41 -49.17 62.13 Favored 'General case' 0 C--O 1.206 -1.22 0 CA-C-N 112.597 -2.092 . . . . 34.49 111.553 170.934 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 83' ' ' SER . . . . . . . . . . . . . 8.1 p -58.48 -4.19 0.37 Allowed 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.373 1.249 . . . . 36.52 114.373 178.145 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 84' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -118.17 28.5 8.33 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.385 -0.822 . . . . 51.17 112.526 176.492 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 85' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.4 115.72 30.86 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 121.94 0.876 . . . . 41.76 113.332 174.702 -121.985 120.419 121.5 101.338 2.043 106.481 66.055 172.062 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 86' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -77.01 -23.24 52.22 Favored 'General case' 0 CA--C 1.565 1.531 0 N-CA-C 113.295 0.85 . . . . 36.71 113.295 174.455 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 87' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -152.27 137.42 17.39 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.736 -0.602 . . . . 52.85 110.109 -177.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 88' ' ' LEU . . . . . . . . . . . . . 16.1 mt -94.0 148.35 22.24 Favored 'General case' 0 C--O 1.258 1.548 0 O-C-N 121.099 -1.001 . . . . 22.7 110.289 170.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 89' ' ' TRP . . . . . . . . . . . . . 45.6 m0 -108.65 148.26 30.66 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 106.509 -1.663 . . . . 20.68 106.509 -178.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 90' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -83.68 138.29 33.38 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.718 0.294 . . . . 29.67 110.295 175.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 91' ' ' ARG . . . . . 0.469 ' NH2' ' O ' ' X' ' 119' ' ' HOH . 0.2 OUTLIER -125.65 100.59 6.51 Favored 'General case' 0 N--CA 1.438 -1.051 1 N-CA-C 99.956 -4.09 . . . . 20.6 99.956 167.741 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' X' X ' 92' ' ' ASN . . . . . 0.538 ' HA ' ' HB3' ' X' ' 73' ' ' ARG . 89.9 m-20 -87.94 7.65 30.0 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 116.198 1.925 . . . . 18.03 116.198 -176.533 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 93' ' ' SER . . . . . . . . . . . . . 88.2 p -159.67 154.38 24.36 Favored 'General case' 0 C--O 1.202 -1.447 0 C-N-CA 116.321 -2.152 . . . . 12.21 106.3 169.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 94' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 58.49 32.81 22.53 Favored 'General case' 0 N--CA 1.416 -2.15 0 N-CA-C 114.791 1.404 . . . . 11.38 114.791 179.328 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 95' ' ' CYS . . . . . . . . . . . . . 12.3 t -74.39 122.24 22.66 Favored 'General case' 0 CA--C 1.584 2.256 0 CA-C-O 121.931 0.872 . . . . 18.94 110.125 176.016 168.9 92.895 -107.209 103.417 2.121 108.832 -61.105 -51.517 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 96' ' ' LYS . . . . . . . . . . . . . 28.3 mttp -88.46 116.33 26.61 Favored 'General case' 0 CA--C 1.502 -0.872 0 N-CA-C 104.483 -2.414 . . . . 27.15 104.483 175.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 97' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -89.81 178.92 6.11 Favored 'General case' 0 N--CA 1.419 -1.998 0 N-CA-C 108.749 -0.834 . . . . 25.19 108.749 -178.947 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 98' ' ' VAL . . . . . . . . . . . . . 47.3 t -137.27 132.98 46.68 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.21 0 N-CA-C 108.688 -0.856 . . . . 15.53 108.688 -174.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 99' ' ' PHE . . . . . 0.479 ' O ' ' HA ' ' X' ' 62' ' ' TYR . 13.3 t80 -105.8 119.88 40.28 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 105.619 -1.993 . . . . 10.7 105.619 173.511 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 100' ' ' VAL . . . . . . . . . . . . . 55.5 t -111.47 138.81 38.46 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.765 0 N-CA-C 108.828 -0.804 . . . . 11.27 108.828 -179.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 101' ' ' THR . . . . . 0.514 HG21 ' O ' ' X' ' 131' ' ' HOH 0.321 0.2 OUTLIER -121.23 121.46 37.79 Favored 'General case' 0 N--CA 1.433 -1.305 0 C-N-CA 118.196 -1.401 . . . . 13.36 107.795 172.012 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' X' X ' 102' ' ' CYS . . . . . . . . . . . . . 21.0 m -99.46 155.54 17.5 Favored 'General case' 0 C--O 1.199 -1.578 0 CA-C-O 118.413 -0.804 . . . . 15.57 109.055 -179.881 -48.122 -80.301 -77.969 107.988 2.061 102.107 -71.997 -71.6 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 103' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -65.13 154.64 37.36 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 120.771 1.623 . . . . 26.39 112.051 160.478 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 104' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 . . . . . 0 N--CA 1.481 1.092 0 N-CA-C 115.565 1.691 . . . . 33.69 115.565 177.459 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' Y' Y ' 7' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo . . . . . 0 CA--C 1.541 0.858 0 N-CA-C 113.367 0.487 . . . . 31.06 113.367 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' Y' Y ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.51 151.7 21.25 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-O 121.783 0.801 . . . . 28.99 111.979 -172.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 9' ' ' VAL . . . . . . . . . . . . . 45.3 t -78.05 124.6 36.71 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.011 0 N-CA-C 106.914 -1.513 . . . . 26.41 106.914 179.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 10' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -113.11 156.5 23.06 Favored 'General case' 0 C--O 1.213 -0.866 0 C-N-CA 117.355 -1.738 . . . . 31.13 112.157 168.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 11' ' ' SER . . . . . . . . . . . . . 81.0 p -125.72 162.44 25.05 Favored 'General case' 0 N--CA 1.432 -1.326 0 CA-C-N 115.473 -0.785 . . . . 25.74 110.191 -173.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 12' ' ' ARG . . . . . 0.578 ' HG3' ' CZ3' ' Y' ' 32' ' ' TRP . 0.0 OUTLIER -157.07 167.2 31.15 Favored 'General case' 0 CA--C 1.499 -1.01 0 N-CA-C 113.13 0.789 . . . . 32.01 113.13 170.087 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' Y' Y ' 13' ' ' LEU . . . . . . . . . . . . . 69.6 mt -110.18 118.41 36.3 Favored 'General case' 0 N--CA 1.421 -1.899 0 O-C-N 124.224 0.952 . . . . 21.54 108.56 -179.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 14' ' ' VAL . . . . . . . . . . . . . 86.9 t -108.4 136.07 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 CA-C-N 114.159 -1.382 . . . . 20.42 114.065 -177.025 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.46 -0.18 74.07 Favored Glycine 0 C--O 1.249 1.083 0 CA-C-N 115.05 -0.977 . . . . 22.9 112.79 164.678 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.51 163.3 46.28 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 118.09 1.996 . . . . 20.33 118.09 171.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 17' ' ' SER . . . . . . . . . . . . . 54.6 p -70.26 -6.65 36.29 Favored 'General case' 0 CA--C 1.475 -1.916 0 CA-C-N 118.315 1.058 . . . . 18.08 113.489 179.156 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 18' ' ' SER . . . . . . . . . . . . . 35.9 p -147.37 178.21 8.6 Favored 'General case' 0 C--O 1.25 1.083 0 N-CA-C 109.088 -0.708 . . . . 18.78 109.088 161.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 19' ' ' ILE . . . . . . . . . . . . . 10.0 pt -74.52 -8.67 11.98 Favored 'Isoleucine or valine' 0 C--O 1.272 2.249 0 N-CA-C 112.213 0.449 . . . . 25.66 112.213 -179.666 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 20' ' ' CYS . . . . . . . . . . . . . 86.9 m -85.09 8.75 16.9 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 115.083 1.512 . . . . 33.1 115.083 173.949 -67.124 -54.042 -89.672 105.55 2.096 103.711 -102.8 -52.075 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 21' ' ' GLU . . . . . 0.614 ' HG2' ' HB ' ' Y' ' 101' ' ' THR 0.291 1.8 mt-10 -149.39 134.91 18.5 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 104.511 -2.403 . . . . 40.79 104.511 -172.095 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' Y' Y ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.37 -170.49 33.96 Favored Glycine 0 N--CA 1.499 2.868 0 C-N-CA 120.288 -0.958 . . . . 25.28 115.064 167.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 23' ' ' THR . . . . . . . . . . . . 0.336 0.1 OUTLIER -87.41 138.81 31.15 Favored 'General case' 0 N--CA 1.423 -1.8 0 C-N-CA 117.906 -1.518 . . . . 29.87 107.616 -179.701 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' Y' Y ' 24' ' ' VAL . . . . . . . . . . . . . 76.6 t -73.63 122.88 27.56 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.437 0 CA-C-O 118.189 -0.91 . . . . 22.33 108.716 -170.235 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 25' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -114.96 156.41 25.09 Favored 'General case' 0 C--O 1.244 0.793 0 C-N-CA 119.27 -0.972 . . . . 35.97 110.778 170.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 26' ' ' VAL . . . . . . . . . . . . . 8.7 m -140.57 161.18 24.41 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.825 0 C-N-CA 119.439 -0.904 . . . . 20.4 110.385 -176.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 27' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -153.31 168.32 26.44 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 114.814 1.412 . . . . 27.84 114.814 168.194 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 28' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -137.29 90.15 2.49 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.353 1.061 . . . . 37.09 109.779 168.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 29' ' ' GLY . . . . . . . . . . . . . . . -11.18 111.73 0.01 OUTLIER Glycine 0 N--CA 1.483 1.819 0 N-CA-C 120.538 2.975 . . . . 34.91 120.538 -149.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 30' ' ' ALA . . . . . 0.741 ' HB1' ' HA ' ' Y' ' 31' ' ' GLN . . . -117.55 -162.18 0.86 Allowed 'General case' 0 C--O 1.257 1.49 1 N-CA-C 91.998 -7.038 . . . . 34.3 91.998 -34.343 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' Y' Y ' 31' ' ' GLN . . . . . 0.741 ' HA ' ' HB1' ' Y' ' 30' ' ' ALA . 23.3 mm100 -100.55 165.57 11.35 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 129.855 3.262 . . . . 48.41 112.736 19.444 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' Y' Y ' 32' ' ' TRP . . . . . 0.578 ' CZ3' ' HG3' ' Y' ' 12' ' ' ARG . 99.8 m95 -65.97 143.83 57.14 Favored 'General case' 0 C--O 1.212 -0.875 0 C-N-CA 119.246 -0.981 . . . . 26.4 112.559 171.177 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' Y' Y ' 33' ' ' ALA . . . . . . . . . . . . . . . -151.41 159.83 44.04 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 105.092 -2.188 . . . . 22.33 105.092 176.08 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.53 148.52 51.36 Favored 'General case' 0 C--O 1.208 -1.092 0 C-N-CA 118.144 -1.422 . . . . 22.62 109.355 176.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.73 129.06 34.59 Favored 'General case' 0 N--CA 1.427 -1.624 0 C-N-CA 123.657 0.783 . . . . 24.55 110.597 169.451 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' Y' Y ' 36' ' ' CYS . . . . . . . . . . . . . 36.3 m -85.76 125.28 33.11 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 114.663 1.357 . . . . 41.66 114.663 167.968 -51.67 -53.909 -110.566 112.617 2.069 100.243 85.528 171.719 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 37' ' ' ASP . . . . . 0.436 ' HA ' ' O ' ' Y' ' 129' ' ' HOH . 9.9 t70 . . . . . 0 C--O 1.189 -2.111 0 N-CA-C 107.42 -1.326 . . . . 45.37 107.42 179.443 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 44' ' ' SER . . . . . . . . . . . . . 73.9 m . . . . . 0 N--CA 1.471 0.582 0 N-CA-C 112.837 0.681 . . . . 47.18 112.837 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' Y' Y ' 45' ' ' LEU . . . . . . . . . . . . . 3.7 mt -65.7 -33.34 75.66 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 109.349 -0.611 . . . . 41.6 109.349 161.281 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.41 -39.08 69.78 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 114.034 1.124 . . . . 36.52 114.034 -179.803 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' Y' Y ' 47' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -77.53 -25.79 50.5 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 115.798 1.777 . . . . 30.37 115.798 -177.427 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -57.05 -53.82 53.75 Favored 'General case' 0 CA--C 1.498 -1.025 0 C-N-CA 123.641 0.777 . . . . 44.55 109.038 174.513 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -54.16 -46.91 72.4 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 125.338 1.649 . . . . 34.75 109.727 -178.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 50' ' ' VAL . . . . . 0.423 ' O ' ' HG2' ' Y' ' 54' ' ' GLN . 41.1 t -62.01 -41.35 90.68 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.317 0 CA-C-N 115.508 -0.769 . . . . 29.83 112.805 176.216 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' Y' Y ' 51' ' ' CYS . . . . . 0.524 ' SG ' HG12 ' Y' ' 59' ' ' VAL . 69.4 m -69.8 -53.15 19.58 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 112.432 0.53 . . . . 32.22 112.432 177.335 -71.648 -71.608 -87.19 104.25 2.059 105.444 -86.262 -42.425 2 2 . 1 . 001 ecloud nobuild full ' Y' Y ' 52' ' ' ARG . . . . . . . . . . . . . 12.6 ttp-105 -44.57 -53.9 6.63 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 124.179 0.924 . . . . 40.81 109.608 168.092 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 53' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -62.83 -25.82 68.45 Favored 'General case' 0 CA--C 1.554 1.122 0 O-C-N 120.878 -1.139 . . . . 44.8 113.743 -176.168 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 54' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' Y' ' 50' ' ' VAL . 33.4 mm-40 -76.56 -12.85 60.09 Favored 'General case' 0 C--O 1.25 1.086 0 CA-C-N 118.579 0.627 . . . . 33.24 111.165 173.12 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' Y' Y ' 55' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 65.4 30.01 11.14 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 116.716 2.117 . . . . 36.83 116.716 -167.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 56' ' ' CYS . . . . . . . . . . . . . 38.1 m -96.85 -180.0 4.76 Favored 'General case' 0 CA--C 1.48 -1.749 0 N-CA-C 102.281 -3.229 . . . . 34.53 102.281 169.672 -52.075 -102.8 -89.672 103.711 2.096 105.55 -54.042 -67.124 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 57' ' ' GLY . . . . . . . . . . . . . . . -81.28 -124.78 0.68 Allowed Glycine 0 N--CA 1.485 1.917 0 C-N-CA 120.256 -0.973 . . . . 36.91 110.751 -169.929 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 58' ' ' SER . . . . . . . . . . . . . 63.2 p -99.03 166.86 11.06 Favored 'General case' 0 C--O 1.249 1.051 0 C-N-CA 120.265 -0.574 . . . . 35.3 111.25 168.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 59' ' ' VAL . . . . . 0.524 HG12 ' SG ' ' Y' ' 51' ' ' CYS . 5.3 m -67.92 137.64 24.2 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.885 0 C-N-CA 125.372 1.469 . . . . 32.09 112.779 179.84 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' Y' Y ' 60' ' ' ASN . . . . . 0.61 HD22 ' C ' ' Y' ' 60' ' ' ASN 0.299 0.1 OUTLIER -111.87 -8.11 14.13 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 117.358 2.355 . . . . 35.72 117.358 164.22 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' Y' Y ' 61' ' ' SER . . . . . 0.445 ' N ' HD22 ' Y' ' 60' ' ' ASN . 13.1 p -170.16 157.32 6.31 Favored 'General case' 0 C--O 1.206 -1.222 0 N-CA-C 112.831 0.678 . . . . 30.88 112.831 173.968 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' Y' Y ' 62' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -145.89 148.09 32.46 Favored 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 107.258 -1.386 . . . . 39.97 107.258 172.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 63' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -138.3 149.22 45.46 Favored 'General case' 0 C--O 1.25 1.121 0 C-N-CA 119.852 -0.739 . . . . 40.58 111.276 168.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 64' ' ' VAL . . . . . . . . . . . . . 96.7 t -78.74 125.44 38.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 126.537 1.935 . . . . 29.03 107.058 176.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 65' ' ' LEU . . . . . . . . . . . . . 70.8 mt -108.11 148.61 29.58 Favored 'General case' 0 C--O 1.261 1.661 0 C-N-CA 125.33 1.452 . . . . 26.2 113.162 177.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 66' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 72.01 14.85 5.71 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 115.985 1.846 . . . . 28.06 115.985 163.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 67' ' ' ALA . . . . . . . . . . . . . . . -44.71 133.52 5.96 Favored 'General case' 0 C--O 1.264 1.849 0 N-CA-C 109.548 -0.538 . . . . 24.56 109.548 171.355 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.95 0.97 82.9 Favored Glycine 0 C--O 1.267 2.202 0 C-N-CA 117.094 -2.479 . . . . 21.4 117.098 170.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 69' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -98.06 105.51 28.57 Favored Pre-proline 0 N--CA 1.477 0.897 0 N-CA-C 115.109 1.522 . . . . 22.31 115.109 -179.188 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 70' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -67.38 -19.76 49.2 Favored 'Trans proline' 0 CA--C 1.487 -1.837 0 C-N-CA 114.059 -3.494 . . . . 21.01 111.976 -170.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 71' ' ' THR . . . . . . . . . . . . . 63.7 p -92.38 6.06 48.35 Favored 'General case' 0 CA--C 1.569 1.703 0 C-N-CA 118.598 -1.241 . . . . 18.88 110.236 -173.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 72' ' ' SER . . . . . . . . . . . . . 11.3 t -83.69 127.26 33.65 Favored 'General case' 0 N--CA 1.427 -1.608 0 N-CA-C 107.625 -1.25 . . . . 24.09 107.625 -176.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 73' ' ' ARG . . . . . 0.833 ' HD3' ' O ' ' Y' ' 112' ' ' HOH . 2.5 ptp180 -139.4 147.46 41.48 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 118.804 -1.158 . . . . 53.31 110.427 -167.169 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' Y' Y ' 74' ' ' GLY . . . . . . . . . . . . . . . -167.83 -166.06 26.28 Favored Glycine 0 N--CA 1.426 -2.018 0 C-N-CA 119.95 -1.119 . . . . 26.04 111.739 -175.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 75' ' ' LEU . . . . . . . . . . . . . 84.9 mt -120.32 148.32 43.88 Favored 'General case' 0 N--CA 1.436 -1.17 0 N-CA-C 107.053 -1.462 . . . . 25.31 107.053 -179.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 76' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -135.06 141.03 46.02 Favored 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 125.888 1.675 . . . . 37.14 106.97 -158.889 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 77' ' ' CYS . . . . . . . . . . . . . 42.7 t -128.98 110.95 18.44 Favored Pre-proline 0 C--O 1.209 -1.078 0 O-C-N 120.758 -1.214 . . . . 36.45 107.966 173.319 176.038 102.608 127.224 106.684 2.082 105.051 115.983 -154.364 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 78' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -73.32 -11.16 24.68 Favored 'Trans proline' 0 N--CA 1.448 -1.167 0 CA-C-O 117.765 -1.014 . . . . 39.73 114.137 -171.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.24 147.91 26.34 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 115.165 1.543 . . . . 46.37 115.165 170.931 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' Y' Y ' 80' ' ' GLN . . . . . . . . . . . . . 17.3 tp60 -48.82 -55.62 11.08 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 113.923 1.082 . . . . 48.86 113.923 -170.219 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 81' ' ' LYS . . . . . 0.801 ' O ' ' HG2' ' Y' ' 84' ' ' GLN . 14.7 mtpt -111.54 137.85 48.84 Favored 'General case' 0 CA--C 1.507 -0.694 0 C-N-CA 119.185 -1.006 . . . . 43.2 112.207 -176.967 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' Y' Y ' 82' ' ' LEU . . . . . . . . . . . . . 4.5 mp -51.87 -38.01 54.42 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 115.304 1.594 . . . . 45.42 115.304 178.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 83' ' ' SER . . . . . . . . . . . . . 36.5 p -56.4 -23.27 37.08 Favored 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 112.672 0.619 . . . . 42.5 112.672 179.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 84' ' ' GLN . . . . . 0.801 ' HG2' ' O ' ' Y' ' 81' ' ' LYS . 3.1 pt20 -106.84 27.44 8.93 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.991 0.9 . . . . 45.0 109.414 -171.438 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' Y' Y ' 85' ' ' CYS . . . . . . . . . . . . . 3.6 t -113.02 118.05 33.75 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 115.09 -0.959 . . . . 40.02 112.132 -172.265 -154.364 115.983 127.224 105.051 2.082 106.684 102.608 176.038 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 86' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -86.43 -22.13 26.71 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 115.284 1.587 . . . . 37.88 115.284 -177.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 87' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -155.89 127.42 7.26 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 101.761 -3.422 . . . . 39.95 101.761 -161.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 88' ' ' LEU . . . . . . . . . . . . . 41.6 mt -98.75 146.18 26.16 Favored 'General case' 0 CA--C 1.503 -0.834 0 N-CA-C 107.331 -1.359 . . . . 27.02 107.331 174.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 89' ' ' TRP . . . . . . . . . . . . . 39.6 m0 -100.37 152.64 20.1 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-O 122.181 0.991 . . . . 24.17 111.057 -179.04 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 90' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -89.57 132.01 35.3 Favored 'General case' 0 C--O 1.203 -1.356 0 CA-C-O 118.07 -0.966 . . . . 40.63 109.87 175.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 91' ' ' ARG . . . . . 0.501 ' NH2' ' O ' ' Y' ' 105' ' ' HOH . 5.5 ttm-85 -120.89 103.03 8.75 Favored 'General case' 0 CA--C 1.556 1.187 0 N-CA-C 101.155 -3.646 . . . . 27.57 101.155 168.94 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' Y' Y ' 92' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -92.44 8.3 39.26 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 115.232 1.567 . . . . 24.84 115.232 -171.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 93' ' ' SER . . . . . . . . . . . . . 78.3 p -164.83 152.78 11.79 Favored 'General case' 0 N--CA 1.427 -1.597 0 N-CA-C 105.059 -2.2 . . . . 23.1 105.059 172.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 94' ' ' TYR . . . . . 0.502 ' CG ' ' HA ' ' X' ' 17' ' ' SER . 83.5 m-85 56.14 34.69 24.34 Favored 'General case' 0 N--CA 1.419 -1.999 0 O-C-N 124.716 1.26 . . . . 22.09 112.598 -177.734 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' Y' Y ' 95' ' ' CYS . . . . . . . . . . . . . 22.2 t -69.75 118.82 13.09 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-O 121.211 0.529 . . . . 30.05 110.806 170.601 171.719 85.528 -110.566 100.243 2.069 112.617 -53.909 -51.67 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 96' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -84.9 119.27 25.17 Favored 'General case' 0 CA--C 1.576 1.959 0 O-C-N 119.682 -1.887 . . . . 36.77 107.715 172.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 97' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -94.11 176.87 6.16 Favored 'General case' 0 C--O 1.249 1.037 0 N-CA-C 105.271 -2.122 . . . . 31.76 105.271 -173.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 98' ' ' VAL . . . . . . . . . . . . . 2.0 t -132.74 141.31 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 118.895 -1.122 . . . . 24.9 111.524 179.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 99' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -107.77 124.34 49.9 Favored 'General case' 0 N--CA 1.434 -1.273 0 N-CA-C 107.578 -1.268 . . . . 22.92 107.578 171.269 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 100' ' ' VAL . . . . . . . . . . . . . 95.0 t -112.8 132.66 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 CA-C-O 121.105 0.479 . . . . 25.12 110.339 178.017 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 101' ' ' THR . . . . . 0.614 ' HB ' ' HG2' ' Y' ' 21' ' ' GLU 0.302 0.5 OUTLIER -117.9 121.5 40.87 Favored 'General case' 0 N--CA 1.433 -1.284 0 C-N-CA 119.359 -0.937 . . . . 29.57 112.318 165.562 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' Y' Y ' 102' ' ' CYS . . . . . . . . . . . . . 5.6 m -104.01 157.33 17.18 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 106.258 -1.756 . . . . 34.71 106.258 -178.838 -42.425 -86.262 -87.19 105.444 2.059 104.25 -71.608 -71.648 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 103' ' ' GLN . . . . . . . . . . . . 0.39 9.4 pt20 -84.65 152.4 23.83 Favored 'General case' 0 CA--C 1.504 -0.795 0 C-N-CA 113.599 -3.24 . . . . 50.21 115.28 165.994 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' Y' Y ' 104' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 . . . . . 0 C--O 1.244 0.798 0 O-C-N 125.1 1.5 . . . . 50.26 114.302 173.33 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 107' ' ' HOH . . . . . 0.459 ' O ' HG23 ' X' ' 101' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 119' ' ' HOH . . . . . 0.469 ' O ' ' NH2' ' X' ' 91' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 121' ' ' HOH . . . . . 0.635 ' O ' ' HD3' ' X' ' 12' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 131' ' ' HOH . . . . . 0.514 ' O ' HG21 ' X' ' 101' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' Y' Y ' 105' ' ' HOH . . . . . 0.501 ' O ' ' NH2' ' Y' ' 91' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' Y' Y ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' Y' Y ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' Y' Y ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' Y' Y ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' Y' Y ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' Y' Y ' 112' ' ' HOH . . . . . 0.833 ' O ' ' HD3' ' Y' ' 73' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' Y' Y ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' Y' Y ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' Y' Y ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' Y' Y ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' Y' Y ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' Y' Y ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' Y' Y ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' Y' Y ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' Y' Y ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' Y' Y ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' Y' Y ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' Y' Y ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' Y' Y ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' Y' Y ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' Y' Y ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' Y' Y ' 129' ' ' HOH . . . . . 0.436 ' O ' ' HA ' ' Y' ' 37' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' Y' Y ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' Y' Y ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' Y' Y ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' Y' Y ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' Y' Y ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' Y' Y ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' Y' Y ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' Y' Y ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' Y' Y ' 139' ' ' HOH . . . . . 0.558 ' O ' ' HB2' ' Y' ' 31' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' Y' Y ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' Y' Y ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' Y' Y ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' Y' Y ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_