data_3i90_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 3i90 _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.108 0 N-CA-C 106.971 -1.492 . . . . 18.54 106.971 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.6 t -108.72 136.04 45.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 119.283 -0.967 . . . . 17.91 111.395 175.124 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -144.88 160.64 40.97 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.474 0.71 . . . . 23.11 110.786 -173.443 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.89 126.8 31.73 Favored 'General case' 0 C--O 1.247 0.924 0 N-CA-C 107.543 -1.28 . . . . 18.51 107.543 178.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -107.95 132.03 53.92 Favored 'General case' 0 C--N 1.344 0.342 0 N-CA-C 107.74 -1.207 . . . . 22.53 107.74 178.39 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -71.75 -46.16 59.36 Favored 'General case' 0 CA--C 1.561 1.402 0 CA-C-N 119.039 0.836 . . . . 33.29 112.234 176.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.1 p -166.76 161.99 15.87 Favored 'General case' 0 C--O 1.246 0.876 0 CA-C-O 121.728 0.775 . . . . 23.14 111.096 -175.683 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.3 mt -90.38 128.92 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-N 115.452 -0.795 . . . . 21.14 109.489 168.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.1 mt -92.67 -42.57 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 CA-C-N 118.736 0.698 . . . . 18.55 109.495 -174.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -149.36 160.61 43.27 Favored 'General case' 0 C--O 1.264 1.842 0 CA-C-O 121.745 0.783 . . . . 19.46 109.394 -172.385 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -119.52 150.17 40.69 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 107.622 -1.251 . . . . 19.69 107.622 174.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 -139.92 166.49 24.51 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 107.718 -1.216 . . . . 20.58 107.718 164.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 98.4 mt -124.39 117.24 50.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 N-CA-C 108.988 -0.745 . . . . 22.6 108.988 175.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . . . -137.62 121.28 17.38 Favored 'General case' 0 C--O 1.244 0.77 0 N-CA-C 106.427 -1.694 . . . . 27.7 106.427 -169.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? 70.79 -134.27 0.05 OUTLIER 'General case' 0 C--O 1.253 1.244 0 N-CA-C 105.989 -1.856 . . . . 36.81 105.989 -159.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -103.26 23.94 31.76 Favored Glycine 0 N--CA 1.461 0.3 0 C-N-CA 118.6 -1.762 . . . . 27.74 109.998 172.927 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -117.65 137.72 52.46 Favored 'General case' 0 C--O 1.248 1.017 0 C-N-CA 123.799 0.84 . . . . 36.89 111.835 -161.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.1 mt -84.04 129.02 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 123.795 0.685 . . . . 19.33 111.635 177.072 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -125.82 146.56 49.75 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 109.361 -0.607 . . . . 25.52 109.361 175.671 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -122.85 141.67 51.61 Favored 'General case' 0 CA--C 1.494 -1.176 0 CA-C-N 116.561 -0.291 . . . . 19.72 110.547 -179.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.9 tp -89.61 115.28 26.88 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 124.416 1.072 . . . . 21.44 108.565 176.002 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -103.2 121.88 55.0 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.283 0 CA-C-N 115.808 -0.633 . . . . 19.87 110.801 -170.437 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -78.63 121.17 24.33 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 123.967 0.792 . . . . 22.78 110.496 166.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -89.82 138.96 31.04 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-N 118.757 0.708 . . . . 21.59 110.16 -175.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.0 ttpp -74.26 134.33 42.64 Favored 'General case' 0 C--O 1.25 1.118 0 C-N-CA 120.067 -0.653 . . . . 39.34 110.256 -178.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.43 4.25 79.58 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 116.336 1.295 . . . . 24.17 116.336 -174.163 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -117.58 144.02 45.55 Favored 'General case' 0 C--O 1.247 0.939 0 O-C-N 121.151 -1.205 . . . . 28.49 108.572 174.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.5 145.27 23.38 Favored 'General case' 0 C--O 1.268 2.072 0 CA-C-O 122.392 1.091 . . . . 21.4 110.567 177.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.8 mt -44.89 -41.08 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 CA-C-N 114.588 -1.187 . . . . 29.15 111.868 178.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.3 tttt -49.14 -33.3 11.74 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 116.25 1.944 . . . . 29.91 116.25 175.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -88.24 12.48 13.77 Favored 'General case' 0 C--O 1.273 2.293 0 N-CA-C 115.688 1.736 . . . . 31.8 115.688 -179.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.2 m -61.95 148.07 44.86 Favored 'General case' 0 N--CA 1.485 1.277 0 O-C-N 123.805 0.69 . . . . 18.99 109.414 174.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.9 p -133.89 148.82 51.28 Favored 'General case' 0 C--O 1.25 1.128 0 N-CA-C 107.372 -1.344 . . . . 20.63 107.372 -172.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -77.18 124.51 27.93 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.583 -0.735 . . . . 21.51 109.131 171.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -127.55 140.64 38.59 Favored Pre-proline 0 N--CA 1.475 0.803 0 C-N-CA 119.737 -0.785 . . . . 22.53 110.783 -179.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -52.88 143.37 48.98 Favored 'Trans proline' 0 C--N 1.375 1.935 0 C-N-CA 123.008 2.472 . . . . 20.82 107.976 171.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -55.51 -31.98 62.5 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 115.359 1.614 . . . . 26.7 115.359 179.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.9 pm0 -59.22 -17.53 28.7 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 118.531 0.605 . . . . 33.22 112.458 174.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -90.12 -5.64 56.29 Favored 'General case' 0 C--O 1.246 0.882 0 N-CA-C 107.483 -1.303 . . . . 28.09 107.483 -175.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 27.1 mm -81.43 91.82 2.08 Favored 'Isoleucine or valine' 0 C--O 1.247 0.921 0 C-N-CA 117.633 -1.627 . . . . 21.76 109.239 175.182 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.7 mt -74.06 -37.95 64.11 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 117.261 -1.776 . . . . 19.5 112.996 -164.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -95.31 115.84 27.97 Favored 'General case' 0 C--O 1.182 -2.498 0 CA-C-N 114.866 -1.061 . . . . 26.64 109.224 -176.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.2 p -60.97 -24.1 65.85 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 114.656 1.354 . . . . 22.31 114.656 -172.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -63.48 -24.77 67.96 Favored 'General case' 0 CA--C 1.569 1.706 0 C-N-CA 121.052 -0.259 . . . . 23.56 110.447 -178.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 58.7 mt -66.25 -44.83 82.58 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 121.63 -0.669 . . . . 22.07 110.164 -179.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.1 mt -75.72 -41.96 40.66 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.721 0 C-N-CA 120.826 -0.35 . . . . 27.06 111.236 -178.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.94 -39.63 72.01 Favored 'General case' 0 C--O 1.25 1.099 0 O-C-N 122.024 -0.423 . . . . 23.22 112.067 176.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.12 -30.35 60.81 Favored 'General case' 0 CA--C 1.556 1.19 0 N-CA-C 112.54 0.571 . . . . 22.36 112.54 -178.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -59.5 -41.66 90.4 Favored 'General case' 0 CA--C 1.567 1.617 0 CA-C-O 122.287 1.042 . . . . 26.93 111.025 169.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.518 2.966 0 C-N-CA 125.986 1.714 . . . . 34.89 110.608 152.054 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.513 2.697 0 CA-C-O 120.955 0.407 . . . . 25.67 111.604 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -139.54 171.49 14.17 Favored 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 108.496 -0.927 . . . . 31.23 108.496 -171.191 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.22 120.85 23.59 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 118.034 2.605 . . . . 24.69 118.034 -179.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -110.0 140.14 44.34 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 118.717 -1.193 . . . . 22.47 111.202 -176.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 63.4 tt0 -88.28 -49.73 6.79 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 119.133 -1.027 . . . . 32.59 108.889 -175.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 25.0 p -160.37 166.54 29.18 Favored 'General case' 0 C--O 1.247 0.948 0 C-N-CA 118.985 -1.086 . . . . 22.65 111.538 177.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 62.8 mt -96.09 132.15 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 N-CA-C 107.494 -1.299 . . . . 19.91 107.494 170.374 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 57.6 mt -96.01 -44.27 12.89 Favored 'Isoleucine or valine' 0 C--O 1.262 1.762 0 N-CA-C 107.8 -1.185 . . . . 21.41 107.8 -170.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 41.0 mmtt -151.71 167.15 29.09 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 114.72 -1.127 . . . . 21.04 111.45 -174.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 11.0 ttt-85 -123.53 148.33 46.4 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 105.979 -1.86 . . . . 32.44 105.979 177.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -139.47 159.87 41.16 Favored 'General case' 0 C--O 1.252 1.202 0 C-N-CA 118.979 -1.089 . . . . 23.44 109.393 169.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 12.6 mm -99.86 121.74 50.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 N-CA-C 103.694 -2.706 . . . . 27.55 103.694 169.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . . . -139.63 130.92 26.71 Favored 'General case' 0 C--O 1.25 1.096 0 N-CA-C 105.594 -2.002 . . . . 26.24 105.594 176.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . . . 47.07 -136.55 0.83 Allowed 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 107.848 -1.167 . . . . 24.25 107.848 -168.214 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.16 16.65 27.41 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 117.324 -2.37 . . . . 21.61 117.283 -173.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ARG . . . . . 0.619 ' NH2' ' CB ' ' B' ' 44' ' ' PRO . 24.8 mtm105 -135.0 159.94 39.9 Favored 'General case' 0 C--O 1.247 0.969 0 N-CA-C 119.704 3.224 . . . . 41.71 119.704 -160.271 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 23.6 mt -91.15 130.22 40.66 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.197 0 N-CA-C 106.566 -1.642 . . . . 21.81 106.566 171.293 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -128.42 147.66 50.67 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 106.505 -1.665 . . . . 24.44 106.505 177.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -122.38 137.26 54.92 Favored 'General case' 0 CA--C 1.506 -0.727 0 C-N-CA 124.744 1.217 . . . . 27.43 109.204 -179.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 52.5 tp -83.4 113.37 20.7 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 114.985 -1.007 . . . . 19.09 108.921 175.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 67.8 t -99.44 119.43 47.45 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 O-C-N 123.876 0.735 . . . . 22.07 110.895 -173.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -83.11 107.8 15.94 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 106.161 -1.792 . . . . 21.45 106.161 168.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -80.5 134.44 35.96 Favored 'General case' 0 N--CA 1.488 1.47 0 CA-C-O 117.952 -1.023 . . . . 22.25 111.625 -179.029 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -68.44 149.12 49.69 Favored 'General case' 0 C--O 1.26 1.653 0 CA-C-N 120.24 1.382 . . . . 30.56 110.132 168.335 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -98.11 70.1 0.67 Allowed Glycine 0 CA--C 1.568 3.381 0 N-CA-C 105.477 -3.049 . . . . 20.5 105.477 -39.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 24.2 m95 -95.87 145.72 25.15 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 125.323 1.449 . . . . 24.52 107.258 171.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.09 144.18 7.27 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 108.86 -0.792 . . . . 21.68 108.86 172.324 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . . . -49.82 -32.91 8.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.303 -0.862 . . . . 24.33 112.253 177.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -56.74 -29.76 62.88 Favored 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 115.013 1.486 . . . . 22.11 115.013 -179.73 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -84.8 4.25 33.88 Favored 'General case' 0 CA--C 1.583 2.232 0 N-CA-C 114.079 1.14 . . . . 21.21 114.079 177.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 75.0 m -53.63 138.69 34.05 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.075 -1.016 . . . . 23.9 110.8 174.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 7.2 p -125.88 148.01 49.3 Favored 'General case' 0 C--O 1.271 2.19 0 C-N-CA 120.227 -0.589 . . . . 22.62 111.456 -178.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -75.16 123.72 25.76 Favored 'General case' 0 C--O 1.215 -0.755 0 O-C-N 124.493 1.121 . . . . 22.08 112.838 169.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -128.23 139.72 36.26 Favored Pre-proline 0 C--O 1.265 1.893 0 N-CA-C 109.182 -0.673 . . . . 24.79 109.182 -174.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' PRO . . . . . 0.619 ' CB ' ' NH2' ' B' ' 25' ' ' ARG . 81.8 Cg_endo -62.24 149.85 89.12 Favored 'Trans proline' 0 N--CA 1.432 -2.134 0 C-N-CA 117.024 -1.517 . . . . 20.89 109.935 174.971 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -56.7 -31.28 64.33 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 114.01 -1.45 . . . . 34.39 112.701 -174.061 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . 0.252 22.4 pm0 -64.73 -16.85 63.53 Favored 'General case' 0 CA--C 1.578 2.036 0 C-N-CA 118.181 -1.407 . . . . 30.03 113.701 174.641 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -82.13 -7.15 59.61 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.957 0.725 . . . . 23.25 112.957 178.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 25.1 mm -84.74 94.63 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.035 0 C-N-CA 118.655 -1.218 . . . . 22.14 109.071 176.088 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 79.0 mt -82.44 -34.23 28.26 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 119.483 -0.887 . . . . 18.71 111.808 -168.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -101.13 116.48 32.92 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 105.109 -2.182 . . . . 20.12 105.109 -174.799 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 59.7 p -70.52 -11.18 60.76 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 112.457 0.54 . . . . 19.41 112.457 -171.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -63.67 -27.45 69.23 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 118.65 -1.22 . . . . 19.59 111.374 172.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 19.4 mt -60.62 -46.49 90.08 Favored 'General case' 0 N--CA 1.496 1.862 0 C-N-CA 118.198 -1.401 . . . . 20.02 112.675 177.81 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -69.95 -44.67 78.4 Favored 'Isoleucine or valine' 0 C--O 1.253 1.263 0 CA-C-N 114.776 -1.102 . . . . 32.59 112.366 177.59 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.83 -51.38 61.15 Favored 'General case' 0 CA--C 1.567 1.622 0 C-N-CA 119.528 -0.869 . . . . 19.3 113.175 178.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.87 -39.22 90.51 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 121.0 0.429 . . . . 20.26 110.081 -177.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -60.31 -49.13 78.82 Favored 'General case' 0 C--O 1.266 1.943 0 N-CA-C 112.558 0.577 . . . . 26.91 112.558 175.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -69.11 -4.57 17.81 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 115.966 1.839 . . . . 31.27 115.966 176.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 116.598 -1.668 . . . . 31.19 108.537 145.675 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.378 0 N-CA-C 113.882 1.067 . . . . 22.62 113.882 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.41 109.25 9.7 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 117.563 2.431 . . . . 27.29 117.563 -173.501 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.98 -36.35 9.76 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 115.612 1.708 . . . . 24.38 115.612 -166.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 66.8 p -64.68 140.46 58.87 Favored 'General case' 0 C--O 1.247 0.927 0 N-CA-C 114.109 1.152 . . . . 24.8 114.109 -176.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 23' ' ' LYS . . . . . . . . . . . . . 8.9 mtmm -124.73 116.77 22.86 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 115.393 -0.821 . . . . 25.37 109.48 -175.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.25 137.12 48.36 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 114.663 1.357 . . . . 21.98 114.663 -174.339 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -143.58 150.86 39.45 Favored 'General case' 0 C--O 1.263 1.78 0 C-N-CA 119.661 -0.816 . . . . 20.51 109.759 162.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 26' ' ' ARG . . . . . . . . . . . . . 28.1 ttm105 -92.34 133.15 36.13 Favored 'General case' 0 C--O 1.253 1.277 0 N-CA-C 106.864 -1.532 . . . . 30.14 106.864 -178.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 27' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.582 0 CA-C-N 115.351 -0.841 . . . . 22.97 110.552 173.437 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 35.0 p -82.65 165.51 19.95 Favored 'General case' 0 CA--C 1.555 1.155 0 N-CA-C 112.794 0.664 . . . . 24.18 112.794 -177.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.263 0 C-N-CA 125.797 1.639 . . . . 25.05 114.02 168.765 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 19' ' ' GLN . . . . . 0.993 ' NE2' ' O ' ' D' ' 30' ' ' HOH . 10.7 mt-30 . . . . . 0 N--CA 1.503 2.192 0 N-CA-C 114.244 1.202 . . . . 16.01 114.244 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -105.97 116.98 32.87 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 107.899 -1.148 . . . . 14.55 107.899 179.944 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . 108.09 -158.34 0.0 OUTLIER 'General case' 0 N--CA 1.416 -2.148 0 N-CA-C 102.974 -2.973 . . . . 14.12 102.974 33.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 22' ' ' THR . . . . . . . . . . . . . 43.7 p -53.63 153.64 4.22 Favored 'General case' 0 N--CA 1.422 -1.832 0 CA-C-N 112.899 -1.955 . . . . 15.72 111.545 172.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 23' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -119.27 128.73 54.43 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 104.509 -2.404 . . . . 22.14 104.509 179.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.81 140.31 29.64 Favored 'General case' 0 C--O 1.206 -1.207 0 N-CA-C 114.555 1.317 . . . . 16.89 114.555 -176.209 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.78 143.93 29.99 Favored 'General case' 0 CA--C 1.562 1.42 0 CA-C-O 121.947 0.879 . . . . 17.49 111.771 169.73 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 26' ' ' ARG . . . . . . . . . . . . . 25.4 ttm105 -83.29 136.23 34.45 Favored 'General case' 0 CA--C 1.493 -1.243 0 C-N-CA 118.665 -1.214 . . . . 19.18 110.472 178.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 27' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.49 0 O-C-N 123.765 0.666 . . . . 23.42 112.715 172.845 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 28' ' ' SER . . . . . . . . . . . . . 53.6 p . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 112.797 0.666 . . . . 20.23 112.797 -171.842 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 30' ' ' HOH . . . . . 0.993 ' O ' ' NE2' ' D' ' 19' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.108 0 N-CA-C 106.971 -1.492 . . . . 18.539999999999999 106.971 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.6 t -108.72 136.04 45.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 119.283 -0.967 . . . . 17.91 111.395 175.124 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -144.88 160.64 40.97 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.474 0.71 . . . . 23.109999999999999 110.786 -173.443 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.89 126.8 31.73 Favored 'General case' 0 C--O 1.247 0.924 0 N-CA-C 107.543 -1.28 . . . . 18.510000000000002 107.543 178.774 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -107.95 132.03 53.92 Favored 'General case' 0 C--N 1.344 0.342 0 N-CA-C 107.74 -1.207 . . . . 22.530000000000001 107.74 178.39 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLU . . . . . 0.526 ' HG3' ' HB2' ' A' ' 33' ' ' LYS . 56.4 mt-10 -71.75 -46.16 59.36 Favored 'General case' 0 CA--C 1.561 1.402 0 CA-C-N 119.039 0.836 . . . . 33.289999999999999 112.234 176.538 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.1 p -166.76 161.99 15.87 Favored 'General case' 0 C--O 1.246 0.876 0 CA-C-O 121.728 0.775 . . . . 23.140000000000001 111.096 -175.683 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.3 mt -90.38 128.92 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-N 115.452 -0.795 . . . . 21.140000000000001 109.489 168.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.1 mt -92.67 -42.57 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 CA-C-N 118.736 0.698 . . . . 18.550000000000001 109.495 -174.168 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -149.36 160.61 43.27 Favored 'General case' 0 C--O 1.264 1.842 0 CA-C-O 121.745 0.783 . . . . 19.460000000000001 109.394 -172.385 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -119.52 150.17 40.69 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 107.622 -1.251 . . . . 19.690000000000001 107.622 174.461 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 -139.92 166.49 24.51 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 107.718 -1.216 . . . . 20.579999999999998 107.718 164.125 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 98.4 mt -124.39 117.24 50.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 N-CA-C 108.988 -0.745 . . . . 22.600000000000001 108.988 175.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ARG . . . . . 0.435 ' O ' ' HB2' ' A' ' 23' ' ' LYS . . . -137.62 121.28 17.38 Favored 'General case' 0 C--O 1.244 0.77 0 N-CA-C 106.427 -1.694 . . . . 27.699999999999999 106.427 -169.68 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 1.2 mptp? 70.79 -134.27 0.05 OUTLIER 'General case' 0 C--O 1.253 1.244 0 N-CA-C 105.989 -1.856 . . . . 36.810000000000002 105.989 -159.458 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -103.26 23.94 31.76 Favored Glycine 0 N--CA 1.461 0.3 0 C-N-CA 118.6 -1.762 . . . . 27.739999999999998 109.998 172.927 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -117.65 137.72 52.46 Favored 'General case' 0 C--O 1.248 1.017 0 C-N-CA 123.799 0.84 . . . . 36.890000000000001 111.835 -161.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.1 mt -84.04 129.02 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 123.795 0.685 . . . . 19.329999999999998 111.635 177.072 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -125.82 146.56 49.75 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 109.361 -0.607 . . . . 25.52 109.361 175.671 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -122.85 141.67 51.61 Favored 'General case' 0 CA--C 1.494 -1.176 0 CA-C-N 116.561 -0.291 . . . . 19.719999999999999 110.547 -179.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.9 tp -89.61 115.28 26.88 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 124.416 1.072 . . . . 21.440000000000001 108.565 176.002 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -103.2 121.88 55.0 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.283 0 CA-C-N 115.808 -0.633 . . . . 19.870000000000001 110.801 -170.437 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -78.63 121.17 24.33 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 123.967 0.792 . . . . 22.780000000000001 110.496 166.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -89.82 138.96 31.04 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-N 118.757 0.708 . . . . 21.59 110.16 -175.477 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LYS . . . . . 0.526 ' HB2' ' HG3' ' A' ' 14' ' ' GLU . 4.0 ttpp -74.26 134.33 42.64 Favored 'General case' 0 C--O 1.25 1.118 0 C-N-CA 120.067 -0.653 . . . . 39.340000000000003 110.256 -178.023 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.43 4.25 79.58 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 116.336 1.295 . . . . 24.170000000000002 116.336 -174.163 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' TRP . . . . . 0.517 ' CE2' HM31 ' C' ' 27' ' ' M3L . 59.6 m95 -117.58 144.02 45.55 Favored 'General case' 0 C--O 1.247 0.939 0 O-C-N 121.151 -1.205 . . . . 28.489999999999998 108.572 174.882 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.5 145.27 23.38 Favored 'General case' 0 C--O 1.268 2.072 0 CA-C-O 122.392 1.091 . . . . 21.399999999999999 110.567 177.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ILE . . . . . 0.448 ' CG2' HG12 ' B' ' 17' ' ' ILE . 2.8 mt -44.89 -41.08 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 CA-C-N 114.588 -1.187 . . . . 29.149999999999999 111.868 178.936 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LYS . . . . . 0.544 ' NZ ' ' HA ' ' B' ' 59' ' ' GLN . 47.3 tttt -49.14 -33.3 11.74 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 116.25 1.944 . . . . 29.91 116.25 175.57 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -88.24 12.48 13.77 Favored 'General case' 0 C--O 1.273 2.293 0 N-CA-C 115.688 1.736 . . . . 31.800000000000001 115.688 -179.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.2 m -61.95 148.07 44.86 Favored 'General case' 0 N--CA 1.485 1.277 0 O-C-N 123.805 0.69 . . . . 18.989999999999998 109.414 174.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.9 p -133.89 148.82 51.28 Favored 'General case' 0 C--O 1.25 1.128 0 N-CA-C 107.372 -1.344 . . . . 20.629999999999999 107.372 -172.268 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -77.18 124.51 27.93 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.583 -0.735 . . . . 21.510000000000002 109.131 171.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -127.55 140.64 38.59 Favored Pre-proline 0 N--CA 1.475 0.803 0 C-N-CA 119.737 -0.785 . . . . 22.530000000000001 110.783 -179.5 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -52.88 143.37 48.98 Favored 'Trans proline' 0 C--N 1.375 1.935 0 C-N-CA 123.008 2.472 . . . . 20.82 107.976 171.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -55.51 -31.98 62.5 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 115.359 1.614 . . . . 26.699999999999999 115.359 179.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.9 pm0 -59.22 -17.53 28.7 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 118.531 0.605 . . . . 33.219999999999999 112.458 174.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -90.12 -5.64 56.29 Favored 'General case' 0 C--O 1.246 0.882 0 N-CA-C 107.483 -1.303 . . . . 28.09 107.483 -175.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 27.1 mm -81.43 91.82 2.08 Favored 'Isoleucine or valine' 0 C--O 1.247 0.921 0 C-N-CA 117.633 -1.627 . . . . 21.760000000000002 109.239 175.182 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.7 mt -74.06 -37.95 64.11 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 117.261 -1.776 . . . . 19.5 112.996 -164.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -95.31 115.84 27.97 Favored 'General case' 0 C--O 1.182 -2.498 0 CA-C-N 114.866 -1.061 . . . . 26.640000000000001 109.224 -176.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.2 p -60.97 -24.1 65.85 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 114.656 1.354 . . . . 22.309999999999999 114.656 -172.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -63.48 -24.77 67.96 Favored 'General case' 0 CA--C 1.569 1.706 0 C-N-CA 121.052 -0.259 . . . . 23.559999999999999 110.447 -178.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 58.7 mt -66.25 -44.83 82.58 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 121.63 -0.669 . . . . 22.07 110.164 -179.223 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.1 mt -75.72 -41.96 40.66 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.721 0 C-N-CA 120.826 -0.35 . . . . 27.059999999999999 111.236 -178.42 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.94 -39.63 72.01 Favored 'General case' 0 C--O 1.25 1.099 0 O-C-N 122.024 -0.423 . . . . 23.219999999999999 112.067 176.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.12 -30.35 60.81 Favored 'General case' 0 CA--C 1.556 1.19 0 N-CA-C 112.54 0.571 . . . . 22.359999999999999 112.54 -178.373 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' PHE . . . . . 0.634 ' O ' ' HB2' ' A' ' 58' ' ' GLU . 87.9 t80 -59.5 -41.66 90.4 Favored 'General case' 0 CA--C 1.567 1.617 0 CA-C-O 122.287 1.042 . . . . 26.93 111.025 169.987 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLU . . . . . 0.634 ' HB2' ' O ' ' A' ' 57' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.518 2.966 0 C-N-CA 125.986 1.714 . . . . 34.890000000000001 110.608 152.054 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.513 2.697 0 CA-C-O 120.955 0.407 . . . . 25.670000000000002 111.604 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -139.54 171.49 14.17 Favored 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 108.496 -0.927 . . . . 31.23 108.496 -171.191 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.22 120.85 23.59 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 118.034 2.605 . . . . 24.690000000000001 118.034 -179.571 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -110.0 140.14 44.34 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 118.717 -1.193 . . . . 22.469999999999999 111.202 -176.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 63.4 tt0 -88.28 -49.73 6.79 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 119.133 -1.027 . . . . 32.590000000000003 108.889 -175.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 25.0 p -160.37 166.54 29.18 Favored 'General case' 0 C--O 1.247 0.948 0 C-N-CA 118.985 -1.086 . . . . 22.649999999999999 111.538 177.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 62.8 mt -96.09 132.15 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 N-CA-C 107.494 -1.299 . . . . 19.91 107.494 170.374 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' ILE . . . . . 0.448 HG12 ' CG2' ' A' ' 37' ' ' ILE . 57.6 mt -96.01 -44.27 12.89 Favored 'Isoleucine or valine' 0 C--O 1.262 1.762 0 N-CA-C 107.8 -1.185 . . . . 21.41 107.8 -170.922 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 41.0 mmtt -151.71 167.15 29.09 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 114.72 -1.127 . . . . 21.039999999999999 111.45 -174.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 11.0 ttt-85 -123.53 148.33 46.4 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 105.979 -1.86 . . . . 32.439999999999998 105.979 177.34 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -139.47 159.87 41.16 Favored 'General case' 0 C--O 1.252 1.202 0 C-N-CA 118.979 -1.089 . . . . 23.440000000000001 109.393 169.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 12.6 mm -99.86 121.74 50.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 N-CA-C 103.694 -2.706 . . . . 27.550000000000001 103.694 169.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . . . -139.63 130.92 26.71 Favored 'General case' 0 C--O 1.25 1.096 0 N-CA-C 105.594 -2.002 . . . . 26.239999999999998 105.594 176.653 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . . . 47.07 -136.55 0.83 Allowed 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 107.848 -1.167 . . . . 24.25 107.848 -168.214 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.16 16.65 27.41 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 117.324 -2.37 . . . . 21.609999999999999 117.283 -173.82 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ARG . . . . . 0.858 ' NH2' ' HB3' ' B' ' 44' ' ' PRO . 24.8 mtm105 -135.0 159.94 39.9 Favored 'General case' 0 C--O 1.247 0.969 0 N-CA-C 119.704 3.224 . . . . 41.710000000000001 119.704 -160.271 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 23.6 mt -91.15 130.22 40.66 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.197 0 N-CA-C 106.566 -1.642 . . . . 21.809999999999999 106.566 171.293 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -128.42 147.66 50.67 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 106.505 -1.665 . . . . 24.440000000000001 106.505 177.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -122.38 137.26 54.92 Favored 'General case' 0 CA--C 1.506 -0.727 0 C-N-CA 124.744 1.217 . . . . 27.43 109.204 -179.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 52.5 tp -83.4 113.37 20.7 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 114.985 -1.007 . . . . 19.09 108.921 175.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 67.8 t -99.44 119.43 47.45 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 O-C-N 123.876 0.735 . . . . 22.07 110.895 -173.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -83.11 107.8 15.94 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 106.161 -1.792 . . . . 21.449999999999999 106.161 168.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -80.5 134.44 35.96 Favored 'General case' 0 N--CA 1.488 1.47 0 CA-C-O 117.952 -1.023 . . . . 22.25 111.625 -179.029 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -68.44 149.12 49.69 Favored 'General case' 0 C--O 1.26 1.653 0 CA-C-N 120.24 1.382 . . . . 30.559999999999999 110.132 168.335 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -98.11 70.1 0.67 Allowed Glycine 0 CA--C 1.568 3.381 0 N-CA-C 105.477 -3.049 . . . . 20.5 105.477 -39.436 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 24.2 m95 -95.87 145.72 25.15 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 125.323 1.449 . . . . 24.52 107.258 171.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.09 144.18 7.27 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 108.86 -0.792 . . . . 21.68 108.86 172.324 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . . . -49.82 -32.91 8.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.303 -0.862 . . . . 24.329999999999998 112.253 177.86 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -56.74 -29.76 62.88 Favored 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 115.013 1.486 . . . . 22.109999999999999 115.013 -179.73 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -84.8 4.25 33.88 Favored 'General case' 0 CA--C 1.583 2.232 0 N-CA-C 114.079 1.14 . . . . 21.210000000000001 114.079 177.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 75.0 m -53.63 138.69 34.05 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.075 -1.016 . . . . 23.899999999999999 110.8 174.114 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 7.2 p -125.88 148.01 49.3 Favored 'General case' 0 C--O 1.271 2.19 0 C-N-CA 120.227 -0.589 . . . . 22.620000000000001 111.456 -178.008 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -75.16 123.72 25.76 Favored 'General case' 0 C--O 1.215 -0.755 0 O-C-N 124.493 1.121 . . . . 22.079999999999998 112.838 169.336 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -128.23 139.72 36.26 Favored Pre-proline 0 C--O 1.265 1.893 0 N-CA-C 109.182 -0.673 . . . . 24.789999999999999 109.182 -174.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' PRO . . . . . 0.858 ' HB3' ' NH2' ' B' ' 25' ' ' ARG . 81.8 Cg_endo -62.24 149.85 89.12 Favored 'Trans proline' 0 N--CA 1.432 -2.134 0 C-N-CA 117.024 -1.517 . . . . 20.890000000000001 109.935 174.971 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 45' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' B' ' 73' ' ' HOH . 2.5 tt0 -56.7 -31.28 64.33 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 114.01 -1.45 . . . . 34.390000000000001 112.701 -174.061 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . 0.252 22.4 pm0 -64.73 -16.85 63.53 Favored 'General case' 0 CA--C 1.578 2.036 0 C-N-CA 118.181 -1.407 . . . . 30.030000000000001 113.701 174.641 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -82.13 -7.15 59.61 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.957 0.725 . . . . 23.25 112.957 178.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' ILE . . . . . 0.735 HG21 HD12 ' B' ' 54' ' ' ILE . 25.1 mm -84.74 94.63 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.035 0 C-N-CA 118.655 -1.218 . . . . 22.140000000000001 109.071 176.088 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 79.0 mt -82.44 -34.23 28.26 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 119.483 -0.887 . . . . 18.710000000000001 111.808 -168.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -101.13 116.48 32.92 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 105.109 -2.182 . . . . 20.120000000000001 105.109 -174.799 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 59.7 p -70.52 -11.18 60.76 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 112.457 0.54 . . . . 19.41 112.457 -171.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -63.67 -27.45 69.23 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 118.65 -1.22 . . . . 19.59 111.374 172.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 19.4 mt -60.62 -46.49 90.08 Favored 'General case' 0 N--CA 1.496 1.862 0 C-N-CA 118.198 -1.401 . . . . 20.02 112.675 177.81 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' ILE . . . . . 0.735 HD12 HG21 ' B' ' 48' ' ' ILE . 0.5 OUTLIER -69.95 -44.67 78.4 Favored 'Isoleucine or valine' 0 C--O 1.253 1.263 0 CA-C-N 114.776 -1.102 . . . . 32.590000000000003 112.366 177.59 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.83 -51.38 61.15 Favored 'General case' 0 CA--C 1.567 1.622 0 C-N-CA 119.528 -0.869 . . . . 19.300000000000001 113.175 178.366 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.87 -39.22 90.51 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 121.0 0.429 . . . . 20.260000000000002 110.081 -177.203 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -60.31 -49.13 78.82 Favored 'General case' 0 C--O 1.266 1.943 0 N-CA-C 112.558 0.577 . . . . 26.91 112.558 175.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -69.11 -4.57 17.81 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 115.966 1.839 . . . . 31.27 115.966 176.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' GLN . . . . . 0.544 ' HA ' ' NZ ' ' A' ' 38' ' ' LYS . . . . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 116.598 -1.668 . . . . 31.190000000000001 108.537 145.675 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 19' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.378 0 N-CA-C 113.882 1.067 . . . . 22.620000000000001 113.882 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.41 109.25 9.7 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 117.563 2.431 . . . . 27.289999999999999 117.563 -173.501 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.98 -36.35 9.76 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 115.612 1.708 . . . . 24.379999999999999 115.612 -166.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 66.8 p -64.68 140.46 58.87 Favored 'General case' 0 C--O 1.247 0.927 0 N-CA-C 114.109 1.152 . . . . 24.800000000000001 114.109 -176.204 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 23' ' ' LYS . . . . . . . . . . . . . 8.9 mtmm -124.73 116.77 22.86 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 115.393 -0.821 . . . . 25.370000000000001 109.48 -175.595 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.25 137.12 48.36 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 114.663 1.357 . . . . 21.98 114.663 -174.339 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -143.58 150.86 39.45 Favored 'General case' 0 C--O 1.263 1.78 0 C-N-CA 119.661 -0.816 . . . . 20.510000000000002 109.759 162.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 26' ' ' ARG . . . . . . . . . . . . . 28.1 ttm105 -92.34 133.15 36.13 Favored 'General case' 0 C--O 1.253 1.277 0 N-CA-C 106.864 -1.532 . . . . 30.140000000000001 106.864 -178.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 27' ' ' M3L . . . . . 0.517 HM31 ' CE2' ' A' ' 35' ' ' TRP . . . . . . . . 0 N--CA 1.471 0.582 0 CA-C-N 115.351 -0.841 . . . . 22.969999999999999 110.552 173.437 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 35.0 p -82.65 165.51 19.95 Favored 'General case' 0 CA--C 1.555 1.155 0 N-CA-C 112.794 0.664 . . . . 24.18 112.794 -177.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.263 0 C-N-CA 125.797 1.639 . . . . 25.050000000000001 114.02 168.765 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 19' ' ' GLN . . . . . 0.9 ' NE2' ' O ' ' D' ' 30' ' ' HOH . 10.7 mt-30 . . . . . 0 N--CA 1.503 2.192 0 N-CA-C 114.244 1.202 . . . . 16.010000000000002 114.244 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -105.97 116.98 32.87 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 107.899 -1.148 . . . . 14.550000000000001 107.899 179.944 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . 108.09 -158.34 0.0 OUTLIER 'General case' 0 N--CA 1.416 -2.148 0 N-CA-C 102.974 -2.973 . . . . 14.119999999999999 102.974 33.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 22' ' ' THR . . . . . . . . . . . . . 43.7 p -53.63 153.64 4.22 Favored 'General case' 0 N--CA 1.422 -1.832 0 CA-C-N 112.899 -1.955 . . . . 15.720000000000001 111.545 172.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 23' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -119.27 128.73 54.43 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 104.509 -2.404 . . . . 22.140000000000001 104.509 179.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.81 140.31 29.64 Favored 'General case' 0 C--O 1.206 -1.207 0 N-CA-C 114.555 1.317 . . . . 16.890000000000001 114.555 -176.209 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.78 143.93 29.99 Favored 'General case' 0 CA--C 1.562 1.42 0 CA-C-O 121.947 0.879 . . . . 17.489999999999998 111.771 169.73 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 26' ' ' ARG . . . . . . . . . . . . . 25.4 ttm105 -83.29 136.23 34.45 Favored 'General case' 0 CA--C 1.493 -1.243 0 C-N-CA 118.665 -1.214 . . . . 19.18 110.472 178.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 27' ' ' M3L . . . . . 0.411 ' HD2' ' O ' ' B' ' 74' ' ' HOH . . . . . . . . 0 C--O 1.22 -0.49 0 O-C-N 123.765 0.666 . . . . 23.420000000000002 112.715 172.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 28' ' ' SER . . . . . . . . . . . . . 53.6 p . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 112.797 0.666 . . . . 20.23 112.797 -171.842 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 73' ' ' HOH . . . . . 0.445 ' O ' ' HG3' ' B' ' 45' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' HOH . . . . . 0.411 ' O ' ' HD2' ' D' ' 27' ' ' M3L . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 30' ' ' HOH . . . . . 0.9 ' O ' ' NE2' ' D' ' 19' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.108 0 N-CA-C 106.971 -1.492 . . . . 18.54 106.971 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.6 t -108.72 136.04 45.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 119.283 -0.967 . . . . 17.91 111.395 175.124 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -144.88 160.64 40.97 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.474 0.71 . . . . 23.11 110.786 -173.443 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.89 126.8 31.73 Favored 'General case' 0 C--O 1.247 0.924 0 N-CA-C 107.543 -1.28 . . . . 18.51 107.543 178.774 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -107.95 132.03 53.92 Favored 'General case' 0 C--N 1.344 0.342 0 N-CA-C 107.74 -1.207 . . . . 22.53 107.74 178.39 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.526 ' HG3' ' HB2' ' A' ' 33' ' ' LYS . 56.4 mt-10 -71.75 -46.16 59.36 Favored 'General case' 0 CA--C 1.561 1.402 0 CA-C-N 119.039 0.836 . . . . 33.29 112.234 176.538 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.1 p -166.76 161.99 15.87 Favored 'General case' 0 C--O 1.246 0.876 0 CA-C-O 121.728 0.775 . . . . 23.14 111.096 -175.683 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.3 mt -90.38 128.92 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-N 115.452 -0.795 . . . . 21.14 109.489 168.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.1 mt -92.67 -42.57 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 CA-C-N 118.736 0.698 . . . . 18.55 109.495 -174.168 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -149.36 160.61 43.27 Favored 'General case' 0 C--O 1.264 1.842 0 CA-C-O 121.745 0.783 . . . . 19.46 109.394 -172.385 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -119.52 150.17 40.69 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 107.622 -1.251 . . . . 19.69 107.622 174.461 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 -139.92 166.49 24.51 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 107.718 -1.216 . . . . 20.58 107.718 164.125 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 98.4 mt -124.39 117.24 50.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 N-CA-C 108.988 -0.745 . . . . 22.6 108.988 175.617 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.435 ' O ' ' HB2' ' A' ' 23' ' ' LYS . . . -137.62 121.28 17.38 Favored 'General case' 0 C--O 1.244 0.77 0 N-CA-C 106.427 -1.694 . . . . 27.7 106.427 -169.68 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 1.2 mptp? 70.79 -134.27 0.05 OUTLIER 'General case' 0 C--O 1.253 1.244 0 N-CA-C 105.989 -1.856 . . . . 36.81 105.989 -159.458 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -103.26 23.94 31.76 Favored Glycine 0 N--CA 1.461 0.3 0 C-N-CA 118.6 -1.762 . . . . 27.74 109.998 172.927 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -117.65 137.72 52.46 Favored 'General case' 0 C--O 1.248 1.017 0 C-N-CA 123.799 0.84 . . . . 36.89 111.835 -161.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.1 mt -84.04 129.02 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 123.795 0.685 . . . . 19.33 111.635 177.072 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -125.82 146.56 49.75 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 109.361 -0.607 . . . . 25.52 109.361 175.671 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -122.85 141.67 51.61 Favored 'General case' 0 CA--C 1.494 -1.176 0 CA-C-N 116.561 -0.291 . . . . 19.72 110.547 -179.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.9 tp -89.61 115.28 26.88 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 124.416 1.072 . . . . 21.44 108.565 176.002 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -103.2 121.88 55.0 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.283 0 CA-C-N 115.808 -0.633 . . . . 19.87 110.801 -170.437 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -78.63 121.17 24.33 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 123.967 0.792 . . . . 22.78 110.496 166.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -89.82 138.96 31.04 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-N 118.757 0.708 . . . . 21.59 110.16 -175.477 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.526 ' HB2' ' HG3' ' A' ' 14' ' ' GLU . 4.0 ttpp -74.26 134.33 42.64 Favored 'General case' 0 C--O 1.25 1.118 0 C-N-CA 120.067 -0.653 . . . . 39.34 110.256 -178.023 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.43 4.25 79.58 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 116.336 1.295 . . . . 24.17 116.336 -174.163 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.517 ' CE2' HM31 ' C' ' 27' ' ' M3L . 59.6 m95 -117.58 144.02 45.55 Favored 'General case' 0 C--O 1.247 0.939 0 O-C-N 121.151 -1.205 . . . . 28.49 108.572 174.882 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.5 145.27 23.38 Favored 'General case' 0 C--O 1.268 2.072 0 CA-C-O 122.392 1.091 . . . . 21.4 110.567 177.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.448 ' CG2' HG12 ' B' ' 17' ' ' ILE . 2.8 mt -44.89 -41.08 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 CA-C-N 114.588 -1.187 . . . . 29.15 111.868 178.936 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.544 ' NZ ' ' HA ' ' B' ' 59' ' ' GLN . 47.3 tttt -49.14 -33.3 11.74 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 116.25 1.944 . . . . 29.91 116.25 175.57 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -88.24 12.48 13.77 Favored 'General case' 0 C--O 1.273 2.293 0 N-CA-C 115.688 1.736 . . . . 31.8 115.688 -179.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.2 m -61.95 148.07 44.86 Favored 'General case' 0 N--CA 1.485 1.277 0 O-C-N 123.805 0.69 . . . . 18.99 109.414 174.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.9 p -133.89 148.82 51.28 Favored 'General case' 0 C--O 1.25 1.128 0 N-CA-C 107.372 -1.344 . . . . 20.63 107.372 -172.268 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -77.18 124.51 27.93 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.583 -0.735 . . . . 21.51 109.131 171.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -127.55 140.64 38.59 Favored Pre-proline 0 N--CA 1.475 0.803 0 C-N-CA 119.737 -0.785 . . . . 22.53 110.783 -179.5 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -52.88 143.37 48.98 Favored 'Trans proline' 0 C--N 1.375 1.935 0 C-N-CA 123.008 2.472 . . . . 20.82 107.976 171.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -55.51 -31.98 62.5 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 115.359 1.614 . . . . 26.7 115.359 179.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.9 pm0 -59.22 -17.53 28.7 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 118.531 0.605 . . . . 33.22 112.458 174.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -90.12 -5.64 56.29 Favored 'General case' 0 C--O 1.246 0.882 0 N-CA-C 107.483 -1.303 . . . . 28.09 107.483 -175.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 27.1 mm -81.43 91.82 2.08 Favored 'Isoleucine or valine' 0 C--O 1.247 0.921 0 C-N-CA 117.633 -1.627 . . . . 21.76 109.239 175.182 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.7 mt -74.06 -37.95 64.11 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 117.261 -1.776 . . . . 19.5 112.996 -164.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -95.31 115.84 27.97 Favored 'General case' 0 C--O 1.182 -2.498 0 CA-C-N 114.866 -1.061 . . . . 26.64 109.224 -176.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.2 p -60.97 -24.1 65.85 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 114.656 1.354 . . . . 22.31 114.656 -172.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -63.48 -24.77 67.96 Favored 'General case' 0 CA--C 1.569 1.706 0 C-N-CA 121.052 -0.259 . . . . 23.56 110.447 -178.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 58.7 mt -66.25 -44.83 82.58 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 121.63 -0.669 . . . . 22.07 110.164 -179.223 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.1 mt -75.72 -41.96 40.66 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.721 0 C-N-CA 120.826 -0.35 . . . . 27.06 111.236 -178.42 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.94 -39.63 72.01 Favored 'General case' 0 C--O 1.25 1.099 0 O-C-N 122.024 -0.423 . . . . 23.22 112.067 176.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.12 -30.35 60.81 Favored 'General case' 0 CA--C 1.556 1.19 0 N-CA-C 112.54 0.571 . . . . 22.36 112.54 -178.373 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.634 ' O ' ' HB2' ' A' ' 58' ' ' GLU . 87.9 t80 -59.5 -41.66 90.4 Favored 'General case' 0 CA--C 1.567 1.617 0 CA-C-O 122.287 1.042 . . . . 26.93 111.025 169.987 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.634 ' HB2' ' O ' ' A' ' 57' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.518 2.966 0 C-N-CA 125.986 1.714 . . . . 34.89 110.608 152.054 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.513 2.697 0 CA-C-O 120.955 0.407 . . . . 25.67 111.604 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -139.54 171.49 14.17 Favored 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 108.496 -0.927 . . . . 31.23 108.496 -171.191 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.22 120.85 23.59 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 118.034 2.605 . . . . 24.69 118.034 -179.571 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -110.0 140.14 44.34 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 118.717 -1.193 . . . . 22.47 111.202 -176.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 63.4 tt0 -88.28 -49.73 6.79 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 119.133 -1.027 . . . . 32.59 108.889 -175.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 25.0 p -160.37 166.54 29.18 Favored 'General case' 0 C--O 1.247 0.948 0 C-N-CA 118.985 -1.086 . . . . 22.65 111.538 177.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 62.8 mt -96.09 132.15 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 N-CA-C 107.494 -1.299 . . . . 19.91 107.494 170.374 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.448 HG12 ' CG2' ' A' ' 37' ' ' ILE . 57.6 mt -96.01 -44.27 12.89 Favored 'Isoleucine or valine' 0 C--O 1.262 1.762 0 N-CA-C 107.8 -1.185 . . . . 21.41 107.8 -170.922 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 41.0 mmtt -151.71 167.15 29.09 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 114.72 -1.127 . . . . 21.04 111.45 -174.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 11.0 ttt-85 -123.53 148.33 46.4 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 105.979 -1.86 . . . . 32.44 105.979 177.34 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -139.47 159.87 41.16 Favored 'General case' 0 C--O 1.252 1.202 0 C-N-CA 118.979 -1.089 . . . . 23.44 109.393 169.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 12.6 mm -99.86 121.74 50.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 N-CA-C 103.694 -2.706 . . . . 27.55 103.694 169.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . . . -139.63 130.92 26.71 Favored 'General case' 0 C--O 1.25 1.096 0 N-CA-C 105.594 -2.002 . . . . 26.24 105.594 176.653 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . . . 47.07 -136.55 0.83 Allowed 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 107.848 -1.167 . . . . 24.25 107.848 -168.214 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.16 16.65 27.41 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 117.324 -2.37 . . . . 21.61 117.283 -173.82 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ARG . . . . . 0.858 ' NH2' ' HB3' ' B' ' 44' ' ' PRO . 24.8 mtm105 -135.0 159.94 39.9 Favored 'General case' 0 C--O 1.247 0.969 0 N-CA-C 119.704 3.224 . . . . 41.71 119.704 -160.271 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 23.6 mt -91.15 130.22 40.66 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.197 0 N-CA-C 106.566 -1.642 . . . . 21.81 106.566 171.293 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -128.42 147.66 50.67 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 106.505 -1.665 . . . . 24.44 106.505 177.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -122.38 137.26 54.92 Favored 'General case' 0 CA--C 1.506 -0.727 0 C-N-CA 124.744 1.217 . . . . 27.43 109.204 -179.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 52.5 tp -83.4 113.37 20.7 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 114.985 -1.007 . . . . 19.09 108.921 175.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 67.8 t -99.44 119.43 47.45 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 O-C-N 123.876 0.735 . . . . 22.07 110.895 -173.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -83.11 107.8 15.94 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 106.161 -1.792 . . . . 21.45 106.161 168.025 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -80.5 134.44 35.96 Favored 'General case' 0 N--CA 1.488 1.47 0 CA-C-O 117.952 -1.023 . . . . 22.25 111.625 -179.029 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -68.44 149.12 49.69 Favored 'General case' 0 C--O 1.26 1.653 0 CA-C-N 120.24 1.382 . . . . 30.56 110.132 168.335 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -98.11 70.1 0.67 Allowed Glycine 0 CA--C 1.568 3.381 0 N-CA-C 105.477 -3.049 . . . . 20.5 105.477 -39.436 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 24.2 m95 -95.87 145.72 25.15 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 125.323 1.449 . . . . 24.52 107.258 171.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.09 144.18 7.27 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 108.86 -0.792 . . . . 21.68 108.86 172.324 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . . . -49.82 -32.91 8.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.303 -0.862 . . . . 24.33 112.253 177.86 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -56.74 -29.76 62.88 Favored 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 115.013 1.486 . . . . 22.11 115.013 -179.73 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -84.8 4.25 33.88 Favored 'General case' 0 CA--C 1.583 2.232 0 N-CA-C 114.079 1.14 . . . . 21.21 114.079 177.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 75.0 m -53.63 138.69 34.05 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.075 -1.016 . . . . 23.9 110.8 174.114 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 7.2 p -125.88 148.01 49.3 Favored 'General case' 0 C--O 1.271 2.19 0 C-N-CA 120.227 -0.589 . . . . 22.62 111.456 -178.008 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -75.16 123.72 25.76 Favored 'General case' 0 C--O 1.215 -0.755 0 O-C-N 124.493 1.121 . . . . 22.08 112.838 169.336 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -128.23 139.72 36.26 Favored Pre-proline 0 C--O 1.265 1.893 0 N-CA-C 109.182 -0.673 . . . . 24.79 109.182 -174.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' PRO . . . . . 0.858 ' HB3' ' NH2' ' B' ' 25' ' ' ARG . 81.8 Cg_endo -62.24 149.85 89.12 Favored 'Trans proline' 0 N--CA 1.432 -2.134 0 C-N-CA 117.024 -1.517 . . . . 20.89 109.935 174.971 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' B' ' 73' ' ' HOH . 2.5 tt0 -56.7 -31.28 64.33 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 114.01 -1.45 . . . . 34.39 112.701 -174.061 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . 0.252 22.4 pm0 -64.73 -16.85 63.53 Favored 'General case' 0 CA--C 1.578 2.036 0 C-N-CA 118.181 -1.407 . . . . 30.03 113.701 174.641 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -82.13 -7.15 59.61 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.957 0.725 . . . . 23.25 112.957 178.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.735 HG21 HD12 ' B' ' 54' ' ' ILE . 25.1 mm -84.74 94.63 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.035 0 C-N-CA 118.655 -1.218 . . . . 22.14 109.071 176.088 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 79.0 mt -82.44 -34.23 28.26 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 119.483 -0.887 . . . . 18.71 111.808 -168.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -101.13 116.48 32.92 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 105.109 -2.182 . . . . 20.12 105.109 -174.799 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 59.7 p -70.52 -11.18 60.76 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 112.457 0.54 . . . . 19.41 112.457 -171.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -63.67 -27.45 69.23 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 118.65 -1.22 . . . . 19.59 111.374 172.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 19.4 mt -60.62 -46.49 90.08 Favored 'General case' 0 N--CA 1.496 1.862 0 C-N-CA 118.198 -1.401 . . . . 20.02 112.675 177.81 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.735 HD12 HG21 ' B' ' 48' ' ' ILE . 0.5 OUTLIER -69.95 -44.67 78.4 Favored 'Isoleucine or valine' 0 C--O 1.253 1.263 0 CA-C-N 114.776 -1.102 . . . . 32.59 112.366 177.59 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.83 -51.38 61.15 Favored 'General case' 0 CA--C 1.567 1.622 0 C-N-CA 119.528 -0.869 . . . . 19.3 113.175 178.366 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.87 -39.22 90.51 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 121.0 0.429 . . . . 20.26 110.081 -177.203 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -60.31 -49.13 78.82 Favored 'General case' 0 C--O 1.266 1.943 0 N-CA-C 112.558 0.577 . . . . 26.91 112.558 175.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -69.11 -4.57 17.81 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 115.966 1.839 . . . . 31.27 115.966 176.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' GLN . . . . . 0.544 ' HA ' ' NZ ' ' A' ' 38' ' ' LYS . . . . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 116.598 -1.668 . . . . 31.19 108.537 145.675 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.378 0 N-CA-C 113.882 1.067 . . . . 22.62 113.882 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.41 109.25 9.7 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 117.563 2.431 . . . . 27.29 117.563 -173.501 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.98 -36.35 9.76 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 115.612 1.708 . . . . 24.38 115.612 -166.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 66.8 p -64.68 140.46 58.87 Favored 'General case' 0 C--O 1.247 0.927 0 N-CA-C 114.109 1.152 . . . . 24.8 114.109 -176.204 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 23' ' ' LYS . . . . . . . . . . . . . 8.9 mtmm -124.73 116.77 22.86 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 115.393 -0.821 . . . . 25.37 109.48 -175.595 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.25 137.12 48.36 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 114.663 1.357 . . . . 21.98 114.663 -174.339 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -143.58 150.86 39.45 Favored 'General case' 0 C--O 1.263 1.78 0 C-N-CA 119.661 -0.816 . . . . 20.51 109.759 162.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 26' ' ' ARG . . . . . . . . . . . . . 28.1 ttm105 -92.34 133.15 36.13 Favored 'General case' 0 C--O 1.253 1.277 0 N-CA-C 106.864 -1.532 . . . . 30.14 106.864 -178.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 27' ' ' M3L . . . . . 0.517 HM31 ' CE2' ' A' ' 35' ' ' TRP . . . . . . . . 0 N--CA 1.471 0.582 0 CA-C-N 115.351 -0.841 . . . . 22.97 110.552 173.437 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 35.0 p -82.65 165.51 19.95 Favored 'General case' 0 CA--C 1.555 1.155 0 N-CA-C 112.794 0.664 . . . . 24.18 112.794 -177.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.263 0 C-N-CA 125.797 1.639 . . . . 25.05 114.02 168.765 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 19' ' ' GLN . . . . . 0.9 ' NE2' ' O ' ' D' ' 30' ' ' HOH . 10.7 mt-30 . . . . . 0 N--CA 1.503 2.192 0 N-CA-C 114.244 1.202 . . . . 16.01 114.244 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -105.97 116.98 32.87 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 107.899 -1.148 . . . . 14.55 107.899 179.944 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . 108.09 -158.34 0.0 OUTLIER 'General case' 0 N--CA 1.416 -2.148 0 N-CA-C 102.974 -2.973 . . . . 14.12 102.974 33.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 22' ' ' THR . . . . . . . . . . . . . 43.7 p -53.63 153.64 4.22 Favored 'General case' 0 N--CA 1.422 -1.832 0 CA-C-N 112.899 -1.955 . . . . 15.72 111.545 172.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 23' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -119.27 128.73 54.43 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 104.509 -2.404 . . . . 22.14 104.509 179.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.81 140.31 29.64 Favored 'General case' 0 C--O 1.206 -1.207 0 N-CA-C 114.555 1.317 . . . . 16.89 114.555 -176.209 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.78 143.93 29.99 Favored 'General case' 0 CA--C 1.562 1.42 0 CA-C-O 121.947 0.879 . . . . 17.49 111.771 169.73 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 26' ' ' ARG . . . . . . . . . . . . . 25.4 ttm105 -83.29 136.23 34.45 Favored 'General case' 0 CA--C 1.493 -1.243 0 C-N-CA 118.665 -1.214 . . . . 19.18 110.472 178.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 27' ' ' M3L . . . . . 0.411 ' HD2' ' O ' ' B' ' 74' ' ' HOH . . . . . . . . 0 C--O 1.22 -0.49 0 O-C-N 123.765 0.666 . . . . 23.42 112.715 172.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 28' ' ' SER . . . . . . . . . . . . . 53.6 p . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 112.797 0.666 . . . . 20.23 112.797 -171.842 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' HOH . . . . . 0.445 ' O ' ' HG3' ' B' ' 45' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' HOH . . . . . 0.411 ' O ' ' HD2' ' D' ' 27' ' ' M3L . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 30' ' ' HOH . . . . . 0.9 ' O ' ' NE2' ' D' ' 19' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_