data_5hmb_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 5hmb _Structure_validation_residue.Date_analyzed 2016-10-13 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 ' 10' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.182 0 CA-C-O 120.611 0.243 . . . . 94.24 111.138 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -115.7 7.62 14.75 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 112.698 0.629 . . . . 90.15 112.698 -177.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 110.64 160.81 17.56 Favored Glycine 0 N--CA 1.439 -1.131 0 CA-C-O 121.691 0.606 . . . . 64.25 111.823 179.761 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -76.5 -30.64 4.96 Favored 'Trans proline' 0 C--N 1.326 -0.619 0 N-CA-C 114.974 1.105 . . . . 65.03 114.974 -175.181 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -72.24 -41.33 66.92 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 118.994 -1.083 . . . . 60.0 110.552 177.374 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 71.5 t -59.06 -39.57 78.73 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 C-N-CA 120.088 -0.645 . . . . 64.23 110.779 176.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -59.74 -45.43 92.23 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.177 -0.609 . . . . 61.39 111.008 174.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -62.77 -35.29 79.34 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 119.795 -0.762 . . . . 64.76 111.588 -178.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.1 mt -64.4 -18.86 65.09 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 112.281 0.475 . . . . 55.33 112.281 177.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.75 15.84 80.1 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.696 -0.764 . . . . 59.36 114.733 -178.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.1 mt -67.03 136.98 56.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 118.201 1.0 . . . . 61.84 111.063 179.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -125.3 110.58 14.18 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 107.877 -1.157 . . . . 107.18 107.877 174.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -79.13 126.4 30.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.047 0.451 . . . . 64.76 110.937 -174.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -90.96 -27.11 18.91 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.445 -0.798 . . . . 99.54 111.792 174.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ARG . . . . . 0.492 ' NH2' ' OD2' ' A' ' 26' ' ' ASP . 44.1 ttm-85 -156.72 132.23 9.36 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.453 -0.943 . . . . 66.9 108.453 -176.37 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 23.8 mt -137.02 87.13 0.62 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.401 0 N-CA-C 107.987 -1.116 . . . . 61.39 107.987 173.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ASP . . . . . 0.492 ' OD2' ' NH2' ' A' ' 24' ' ' ARG . 36.5 m-20 -105.02 164.7 14.59 Favored Pre-proline 0 C--N 1.316 -0.866 0 C-N-CA 122.93 0.492 . . . . 77.49 110.016 179.047 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -61.64 -7.74 9.69 Favored 'Trans proline' 0 C--O 1.237 0.47 0 N-CA-C 113.64 0.592 . . . . 57.95 113.64 174.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 43.0 p-10 -128.96 5.31 5.39 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 113.524 0.935 . . . . 87.45 113.524 -175.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 -176.64 138.94 0.3 Allowed 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 108.858 -0.793 . . . . 70.42 108.858 -178.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.27 141.69 47.06 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 107.977 -1.12 . . . . 51.9 107.977 171.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.2 t -135.29 127.68 47.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 N-CA-C 108.532 -0.914 . . . . 54.84 108.532 -175.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -134.85 146.15 48.97 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.846 0.355 . . . . 55.7 110.184 177.753 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -106.69 151.25 25.35 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.506 -0.924 . . . . 74.79 108.506 175.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 9.2 p-90 -167.18 174.89 7.82 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.826 -1.176 . . . . 53.3 107.826 177.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.3 t -141.2 149.09 40.95 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.587 -0.733 . . . . 81.25 110.191 -175.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.2 t -66.93 139.03 21.75 Favored 'Isoleucine or valine' 0 C--O 1.239 0.5 0 N-CA-C 109.129 -0.693 . . . . 64.9 109.129 170.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.5 mtm-85 -133.03 161.78 33.45 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 109.088 -0.708 . . . . 67.88 109.088 -178.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.32 -41.89 85.54 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.141 -0.936 . . . . 74.65 111.596 -177.395 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ASP . . . . . 0.408 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 19.0 p-10 -76.19 -8.43 57.02 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 113.496 0.924 . . . . 73.34 113.496 -177.969 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 74.6 mt -97.53 5.35 49.69 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 118.667 0.667 . . . . 60.37 112.677 178.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.8 mt -91.84 158.27 16.41 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.777 0.799 . . . . 72.73 111.382 -172.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -100.79 166.54 12.3 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 114.908 -1.042 . . . . 87.69 109.418 170.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -47.92 -24.12 4.87 Favored 'Trans proline' 0 N--CA 1.48 0.712 0 N-CA-C 117.943 2.247 . . . . 99.47 117.943 -163.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . . . -104.36 30.06 5.59 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 120.759 1.618 . . . . 79.91 113.063 -175.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.85 10.52 86.17 Favored Glycine 0 C--O 1.238 0.371 0 N-CA-C 117.44 1.736 . . . . 75.04 117.44 171.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.3 pt -114.93 163.41 12.25 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-N 119.428 1.614 . . . . 69.47 109.683 175.324 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 30.9 tp -57.43 128.05 35.06 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.938 -1.028 . . . . 51.15 111.018 -179.003 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 62.2 t-80 -52.25 134.7 33.36 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.813 -0.631 . . . . 50.45 109.462 167.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.64 -34.55 90.21 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.267 -0.968 . . . . 45.24 112.982 -176.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -57.38 -30.02 61.1 Favored Glycine 0 C--N 1.337 0.63 0 C-N-CA 120.376 -0.916 . . . . 45.93 113.108 176.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.1 t -62.78 -42.96 98.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 C-N-CA 119.259 -0.977 . . . . 47.32 110.421 177.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -56.73 -46.46 81.3 Favored 'General case' 0 C--O 1.235 0.327 0 O-C-N 121.826 -0.546 . . . . 51.85 111.345 175.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 58.4 m -62.39 -43.59 98.46 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 120.532 -0.467 . . . . 41.74 111.403 179.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.29 -39.83 95.68 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 121.071 -0.252 . . . . 46.07 111.61 -178.561 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.6 t -67.11 -41.78 87.46 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 CA-C-O 121.265 0.555 . . . . 45.38 110.71 177.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.5 t -59.42 -47.27 91.28 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 CA-C-O 121.514 0.673 . . . . 40.32 110.11 175.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -56.98 -49.25 76.31 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 121.748 -0.595 . . . . 52.11 110.829 176.891 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.3 m -60.35 -48.58 81.14 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 122.069 -0.394 . . . . 48.46 111.839 -177.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 62.1 t -70.73 -40.06 76.42 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 C-N-CA 118.946 -1.102 . . . . 46.55 110.445 -172.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.41 -41.77 88.77 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 119.632 -0.827 . . . . 45.05 111.402 176.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.8 m -63.01 -39.74 95.66 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 119.782 -0.767 . . . . 55.69 111.076 -179.016 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.42 -45.59 84.45 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 120.39 -0.524 . . . . 51.14 110.667 176.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.23 -43.57 77.63 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 119.82 -0.752 . . . . 50.04 111.056 -178.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.17 -44.09 97.86 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.648 0.261 . . . . 49.41 111.224 -178.871 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -59.09 -48.51 81.32 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.027 0.441 . . . . 91.9 110.665 177.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 52.5 tpt85 -63.92 -29.94 71.07 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 111.991 0.367 . . . . 70.9 111.991 179.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 90.5 t90 -76.51 -37.03 57.37 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 119.37 -0.932 . . . . 53.74 112.204 176.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.5 tp -73.53 -32.32 64.15 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 119.524 -0.871 . . . . 61.02 110.826 179.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.2 -148.35 43.61 Favored Glycine 0 C--N 1.333 0.369 0 CA-C-O 122.015 0.786 . . . . 61.18 111.908 176.12 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . . . -69.07 -5.39 21.73 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 112.937 0.718 . . . . 64.74 112.937 -177.244 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.6 mtm-85 -69.95 -12.01 61.29 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 113.981 1.104 . . . . 98.82 113.981 -175.577 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 162.02 -169.15 37.33 Favored Glycine 0 N--CA 1.448 -0.566 0 N-CA-C 110.312 -1.115 . . . . 60.64 110.312 -174.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.5 t -129.15 148.37 51.08 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 114.881 -0.659 . . . . 74.58 110.849 179.175 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.6 m -103.56 144.17 14.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 122.107 0.956 . . . . 56.14 110.553 -177.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.9 p -130.55 128.09 63.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 N-CA-C 107.657 -1.238 . . . . 60.49 107.657 -178.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.47 138.07 48.6 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.071 -1.062 . . . . 50.24 111.104 177.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 52.9 t -110.72 -50.73 6.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 123.413 0.685 . . . . 44.55 111.791 175.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 84.1 p -159.49 161.2 35.34 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.647 0.737 . . . . 52.33 110.295 -179.205 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -149.11 114.54 5.56 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 107.541 -1.281 . . . . 43.53 107.541 -170.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.5 t -118.11 111.07 18.39 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 107.935 -1.135 . . . . 43.37 107.935 179.432 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 54.3 m -121.0 129.82 53.55 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 109.488 -0.56 . . . . 37.99 109.488 -175.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -97.48 139.27 33.66 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 123.693 0.797 . . . . 51.41 109.418 170.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -107.66 116.29 31.68 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 107.062 -1.458 . . . . 42.37 107.062 174.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -99.9 -24.65 14.59 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 114.544 1.313 . . . . 57.64 114.544 -172.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -148.72 149.68 31.38 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 107.916 -1.142 . . . . 60.09 107.916 179.181 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -70.24 134.12 26.23 Favored 'Trans proline' 0 C--N 1.331 -0.392 0 N-CA-C 109.481 -1.007 . . . . 69.19 109.481 176.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.83 134.09 51.27 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 108.815 -0.809 . . . . 53.04 108.815 174.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 69.7 p -127.45 176.38 7.5 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 121.615 0.721 . . . . 55.41 109.511 178.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 27.4 m -58.88 -34.25 51.97 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-N 114.934 -1.03 . . . . 70.26 110.584 174.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.19 -17.38 64.43 Favored 'General case' 0 CA--C 1.517 -0.305 0 O-C-N 121.88 -0.513 . . . . 59.65 112.185 -178.429 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -82.42 -6.36 59.24 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 119.082 -1.047 . . . . 77.23 113.184 -170.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 78.18 -143.82 27.77 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 119.689 -1.243 . . . . 57.93 114.87 174.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -91.07 123.11 34.28 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 112.286 0.476 . . . . 92.94 112.286 -167.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 26.8 mt -94.31 144.64 25.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.88 -0.6 . . . . 56.06 109.943 177.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 83.6 m -121.35 120.75 35.95 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 123.41 0.684 . . . . 52.22 109.311 177.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.4 m -110.06 124.87 52.25 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 122.309 0.244 . . . . 46.96 110.72 -179.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 85.5 m -123.21 121.63 36.41 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 109.599 -0.519 . . . . 49.86 109.599 -175.024 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -97.26 125.33 41.75 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 123.152 0.581 . . . . 47.99 109.505 177.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 95.6 mt -121.5 146.27 44.74 Favored Pre-proline 0 C--O 1.237 0.395 0 CA-C-N 116.228 -0.442 . . . . 58.31 110.555 176.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -75.81 139.02 21.83 Favored 'Trans proline' 0 CA--C 1.514 -0.498 0 N-CA-C 110.367 -0.667 . . . . 53.07 110.367 -173.864 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 72.5 t -104.69 -46.86 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 115.426 -0.807 . . . . 43.58 110.938 169.753 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -149.65 133.24 16.73 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 108.748 -0.834 . . . . 52.29 108.748 178.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 -138.08 100.08 4.05 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 106.488 -1.671 . . . . 55.33 106.488 -179.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -124.03 -156.13 9.39 Favored Glycine 0 C--O 1.237 0.301 0 C-N-CA 120.636 -0.792 . . . . 50.91 114.422 -175.529 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.45 -58.19 6.43 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 120.539 -0.464 . . . . 52.05 110.937 -176.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 77.7 p -101.85 -27.41 13.01 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 114.373 1.249 . . . . 48.65 114.373 -174.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -119.47 150.85 39.54 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 119.404 1.002 . . . . 64.15 111.453 -173.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -129.93 144.3 51.25 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 115.747 -0.661 . . . . 45.34 109.446 163.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 94.9 t -127.02 130.87 71.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 N-CA-C 108.462 -0.94 . . . . 41.74 108.462 168.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 50.2 m95 -124.15 151.73 43.64 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.597 0.759 . . . . 51.65 109.351 177.506 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 29.2 t -116.48 125.7 52.33 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 108.602 -0.888 . . . . 46.89 108.602 177.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 47.5 t -118.4 121.8 67.99 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 N-CA-C 108.016 -1.105 . . . . 44.89 108.016 -174.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -107.6 133.12 52.51 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 109.841 -0.429 . . . . 58.32 109.841 173.405 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 52.3 m -109.62 118.77 37.45 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 107.949 -1.13 . . . . 49.94 107.949 175.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 18.8 m -122.1 158.96 25.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-O 121.98 0.895 . . . . 53.97 110.821 -177.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 43.6 p30 -92.26 -175.13 3.95 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.768 0.794 . . . . 62.27 110.315 172.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.36 -32.51 66.83 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 115.638 -0.71 . . . . 68.9 112.476 -177.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -81.85 -6.21 58.89 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 113.628 0.973 . . . . 72.49 113.628 -177.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 87.36 4.24 80.9 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-O 119.105 -0.831 . . . . 71.89 114.189 -171.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 35.5 ttp180 -64.86 123.11 18.54 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 118.208 1.004 . . . . 101.87 110.239 173.11 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 56.4 tp -73.44 112.93 9.97 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 109.457 -0.571 . . . . 54.13 109.457 177.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 85.9 t -89.36 -38.57 11.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 123.206 0.602 . . . . 56.52 111.926 -179.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -156.04 157.7 36.57 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 107.4 -1.333 . . . . 46.0 107.4 -178.74 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 68.7 ttt-85 -150.87 137.35 18.7 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 108.29 -1.004 . . . . 45.36 108.29 179.385 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -139.61 147.45 19.19 Favored Glycine 0 CA--C 1.518 0.266 0 O-C-N 123.678 0.611 . . . . 37.33 112.763 -177.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -110.76 129.99 55.69 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 108.351 -0.981 . . . . 52.46 108.351 174.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 84.3 t -124.03 120.39 59.38 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 N-CA-C 108.678 -0.86 . . . . 40.56 108.678 -172.871 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' ARG . . . . . 0.501 ' NH2' ' O ' ' A' ' 402' ' ' HOH . 53.4 ttm-85 -101.14 131.2 47.2 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 107.106 -1.442 . . . . 53.79 107.106 176.24 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.4 mp -131.59 153.33 50.0 Favored 'General case' 0 N--CA 1.45 -0.436 0 O-C-N 124.012 0.82 . . . . 48.01 109.734 -179.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -105.07 137.06 43.4 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.495 -0.928 . . . . 78.78 108.495 -179.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -90.64 117.12 29.05 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.398 -0.593 . . . . 51.17 109.398 175.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 12.4 mt -97.36 96.47 8.4 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 106.938 -1.504 . . . . 68.53 106.938 172.541 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 70.6 mtt-85 -89.04 152.55 21.61 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 120.338 -0.545 . . . . 66.76 110.665 -170.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.407 0 CA-C-N 115.405 -0.816 . . . . 68.52 109.63 174.784 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 401' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 402' ' ' HOH . . . . . 0.501 ' O ' ' NH2' ' A' ' 128' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 403' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 404' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 405' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 406' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 407' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 408' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 409' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 410' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 411' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 412' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 413' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 414' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 415' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 416' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 417' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 418' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 419' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 420' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 421' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 422' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 423' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 424' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.182 0 CA-C-O 120.611 0.243 . . . . 94.239999999999995 111.138 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -115.7 7.62 14.75 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 112.698 0.629 . . . . 90.150000000000006 112.698 -177.698 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 110.64 160.81 17.56 Favored Glycine 0 N--CA 1.439 -1.131 0 CA-C-O 121.691 0.606 . . . . 64.25 111.823 179.761 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -76.5 -30.64 4.96 Favored 'Trans proline' 0 C--N 1.326 -0.619 0 N-CA-C 114.974 1.105 . . . . 65.030000000000001 114.974 -175.181 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -72.24 -41.33 66.92 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 118.994 -1.083 . . . . 60.0 110.552 177.374 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 71.5 t -59.06 -39.57 78.73 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 C-N-CA 120.088 -0.645 . . . . 64.230000000000004 110.779 176.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -59.74 -45.43 92.23 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.177 -0.609 . . . . 61.390000000000001 111.008 174.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -62.77 -35.29 79.34 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 119.795 -0.762 . . . . 64.760000000000005 111.588 -178.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.1 mt -64.4 -18.86 65.09 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 112.281 0.475 . . . . 55.329999999999998 112.281 177.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.75 15.84 80.1 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.696 -0.764 . . . . 59.359999999999999 114.733 -178.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.1 mt -67.03 136.98 56.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 118.201 1.0 . . . . 61.840000000000003 111.063 179.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -125.3 110.58 14.18 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 107.877 -1.157 . . . . 107.18000000000001 107.877 174.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -79.13 126.4 30.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.047 0.451 . . . . 64.760000000000005 110.937 -174.301 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -90.96 -27.11 18.91 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.445 -0.798 . . . . 99.540000000000006 111.792 174.223 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ARG . . . . . 0.519 ' HD2' ' NH2' ' A' ' 29' ' ' ARG . 44.1 ttm-85 -156.72 132.23 9.36 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.453 -0.943 . . . . 66.900000000000006 108.453 -176.37 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 23.8 mt -137.02 87.13 0.62 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.401 0 N-CA-C 107.987 -1.116 . . . . 61.390000000000001 107.987 173.297 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -105.02 164.7 14.59 Favored Pre-proline 0 C--N 1.316 -0.866 0 C-N-CA 122.93 0.492 . . . . 77.489999999999995 110.016 179.047 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -61.64 -7.74 9.69 Favored 'Trans proline' 0 C--O 1.237 0.47 0 N-CA-C 113.64 0.592 . . . . 57.950000000000003 113.64 174.932 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 43.0 p-10 -128.96 5.31 5.39 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 113.524 0.935 . . . . 87.450000000000003 113.524 -175.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ARG . . . . . 0.519 ' NH2' ' HD2' ' A' ' 24' ' ' ARG . 49.9 ttp180 -176.64 138.94 0.3 Allowed 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 108.858 -0.793 . . . . 70.420000000000002 108.858 -178.502 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.27 141.69 47.06 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 107.977 -1.12 . . . . 51.899999999999999 107.977 171.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.2 t -135.29 127.68 47.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 N-CA-C 108.532 -0.914 . . . . 54.840000000000003 108.532 -175.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -134.85 146.15 48.97 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.846 0.355 . . . . 55.700000000000003 110.184 177.753 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -106.69 151.25 25.35 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.506 -0.924 . . . . 74.790000000000006 108.506 175.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 9.2 p-90 -167.18 174.89 7.82 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.826 -1.176 . . . . 53.299999999999997 107.826 177.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.3 t -141.2 149.09 40.95 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.587 -0.733 . . . . 81.25 110.191 -175.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.2 t -66.93 139.03 21.75 Favored 'Isoleucine or valine' 0 C--O 1.239 0.5 0 N-CA-C 109.129 -0.693 . . . . 64.900000000000006 109.129 170.427 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.5 mtm-85 -133.03 161.78 33.45 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 109.088 -0.708 . . . . 67.879999999999995 109.088 -178.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.32 -41.89 85.54 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.141 -0.936 . . . . 74.650000000000006 111.596 -177.395 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -76.19 -8.43 57.02 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 113.496 0.924 . . . . 73.340000000000003 113.496 -177.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 74.6 mt -97.53 5.35 49.69 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 118.667 0.667 . . . . 60.369999999999997 112.677 178.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.8 mt -91.84 158.27 16.41 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.777 0.799 . . . . 72.730000000000004 111.382 -172.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -100.79 166.54 12.3 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 114.908 -1.042 . . . . 87.689999999999998 109.418 170.731 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -47.92 -24.12 4.87 Favored 'Trans proline' 0 N--CA 1.48 0.712 0 N-CA-C 117.943 2.247 . . . . 99.469999999999999 117.943 -163.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . . . -104.36 30.06 5.59 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 120.759 1.618 . . . . 79.909999999999997 113.063 -175.598 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.85 10.52 86.17 Favored Glycine 0 C--O 1.238 0.371 0 N-CA-C 117.44 1.736 . . . . 75.040000000000006 117.44 171.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.3 pt -114.93 163.41 12.25 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-N 119.428 1.614 . . . . 69.469999999999999 109.683 175.324 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 30.9 tp -57.43 128.05 35.06 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.938 -1.028 . . . . 51.149999999999999 111.018 -179.003 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 62.2 t-80 -52.25 134.7 33.36 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.813 -0.631 . . . . 50.450000000000003 109.462 167.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.64 -34.55 90.21 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.267 -0.968 . . . . 45.240000000000002 112.982 -176.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -57.38 -30.02 61.1 Favored Glycine 0 C--N 1.337 0.63 0 C-N-CA 120.376 -0.916 . . . . 45.93 113.108 176.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.1 t -62.78 -42.96 98.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 C-N-CA 119.259 -0.977 . . . . 47.32 110.421 177.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -56.73 -46.46 81.3 Favored 'General case' 0 C--O 1.235 0.327 0 O-C-N 121.826 -0.546 . . . . 51.850000000000001 111.345 175.216 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 58.4 m -62.39 -43.59 98.46 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 120.532 -0.467 . . . . 41.740000000000002 111.403 179.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.29 -39.83 95.68 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 121.071 -0.252 . . . . 46.07 111.61 -178.561 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.6 t -67.11 -41.78 87.46 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 CA-C-O 121.265 0.555 . . . . 45.380000000000003 110.71 177.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.5 t -59.42 -47.27 91.28 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 CA-C-O 121.514 0.673 . . . . 40.32 110.11 175.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -56.98 -49.25 76.31 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 121.748 -0.595 . . . . 52.109999999999999 110.829 176.891 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.3 m -60.35 -48.58 81.14 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 122.069 -0.394 . . . . 48.460000000000001 111.839 -177.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 62.1 t -70.73 -40.06 76.42 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 C-N-CA 118.946 -1.102 . . . . 46.549999999999997 110.445 -172.447 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.41 -41.77 88.77 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 119.632 -0.827 . . . . 45.049999999999997 111.402 176.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.8 m -63.01 -39.74 95.66 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 119.782 -0.767 . . . . 55.689999999999998 111.076 -179.016 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.42 -45.59 84.45 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 120.39 -0.524 . . . . 51.140000000000001 110.667 176.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.23 -43.57 77.63 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 119.82 -0.752 . . . . 50.039999999999999 111.056 -178.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.17 -44.09 97.86 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.648 0.261 . . . . 49.409999999999997 111.224 -178.871 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -59.09 -48.51 81.32 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.027 0.441 . . . . 91.900000000000006 110.665 177.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 52.5 tpt85 -63.92 -29.94 71.07 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 111.991 0.367 . . . . 70.900000000000006 111.991 179.878 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 90.5 t90 -76.51 -37.03 57.37 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 119.37 -0.932 . . . . 53.740000000000002 112.204 176.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.5 tp -73.53 -32.32 64.15 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 119.524 -0.871 . . . . 61.020000000000003 110.826 179.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.2 -148.35 43.61 Favored Glycine 0 C--N 1.333 0.369 0 CA-C-O 122.015 0.786 . . . . 61.18 111.908 176.12 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . . . -69.07 -5.39 21.73 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 112.937 0.718 . . . . 64.739999999999995 112.937 -177.244 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.6 mtm-85 -69.95 -12.01 61.29 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 113.981 1.104 . . . . 98.819999999999993 113.981 -175.577 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 162.02 -169.15 37.33 Favored Glycine 0 N--CA 1.448 -0.566 0 N-CA-C 110.312 -1.115 . . . . 60.640000000000001 110.312 -174.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.5 t -129.15 148.37 51.08 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 114.881 -0.659 . . . . 74.579999999999998 110.849 179.175 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.6 m -103.56 144.17 14.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 122.107 0.956 . . . . 56.140000000000001 110.553 -177.222 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' VAL . . . . . 0.572 HG13 ' HB3' ' A' ' 130' ' ' HIS . 1.9 p -130.55 128.09 63.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 N-CA-C 107.657 -1.238 . . . . 60.490000000000002 107.657 -178.407 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.47 138.07 48.6 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.071 -1.062 . . . . 50.240000000000002 111.104 177.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 52.9 t -110.72 -50.73 6.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 123.413 0.685 . . . . 44.549999999999997 111.791 175.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 84.1 p -159.49 161.2 35.34 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.647 0.737 . . . . 52.329999999999998 110.295 -179.205 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -149.11 114.54 5.56 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 107.541 -1.281 . . . . 43.530000000000001 107.541 -170.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.5 t -118.11 111.07 18.39 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 107.935 -1.135 . . . . 43.5 107.935 179.432 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 54.3 m -121.0 129.82 53.55 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 109.488 -0.56 . . . . 37.990000000000002 109.488 -175.26 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -97.48 139.27 33.66 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 123.693 0.797 . . . . 51.409999999999997 109.418 170.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -107.66 116.29 31.68 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 107.062 -1.458 . . . . 42.369999999999997 107.062 174.389 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -99.9 -24.65 14.59 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 114.544 1.313 . . . . 57.640000000000001 114.544 -172.475 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -148.72 149.68 31.38 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 107.916 -1.142 . . . . 60.090000000000003 107.916 179.181 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -70.24 134.12 26.23 Favored 'Trans proline' 0 C--N 1.331 -0.392 0 N-CA-C 109.481 -1.007 . . . . 69.189999999999998 109.481 176.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.83 134.09 51.27 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 108.815 -0.809 . . . . 53.039999999999999 108.815 174.282 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 69.7 p -127.45 176.38 7.5 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 121.615 0.721 . . . . 55.409999999999997 109.511 178.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 27.4 m -58.88 -34.25 51.97 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-N 114.934 -1.03 . . . . 70.260000000000005 110.584 174.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.19 -17.38 64.43 Favored 'General case' 0 CA--C 1.517 -0.305 0 O-C-N 121.88 -0.513 . . . . 59.649999999999999 112.185 -178.429 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -82.42 -6.36 59.24 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 119.082 -1.047 . . . . 77.230000000000004 113.184 -170.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 78.18 -143.82 27.77 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 119.689 -1.243 . . . . 57.93 114.87 174.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -91.07 123.11 34.28 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 112.286 0.476 . . . . 92.939999999999998 112.286 -167.779 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 26.8 mt -94.31 144.64 25.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.88 -0.6 . . . . 56.060000000000002 109.943 177.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 83.6 m -121.35 120.75 35.95 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 123.41 0.684 . . . . 52.219999999999999 109.311 177.698 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.4 m -110.06 124.87 52.25 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 122.309 0.244 . . . . 46.960000000000001 110.72 -179.623 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 85.5 m -123.21 121.63 36.41 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 109.599 -0.519 . . . . 49.859999999999999 109.599 -175.024 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -97.26 125.33 41.75 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 123.152 0.581 . . . . 47.990000000000002 109.505 177.206 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 95.6 mt -121.5 146.27 44.74 Favored Pre-proline 0 C--O 1.237 0.395 0 CA-C-N 116.228 -0.442 . . . . 58.310000000000002 110.555 176.659 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -75.81 139.02 21.83 Favored 'Trans proline' 0 CA--C 1.514 -0.498 0 N-CA-C 110.367 -0.667 . . . . 53.07 110.367 -173.864 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 72.5 t -104.69 -46.86 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 115.426 -0.807 . . . . 43.579999999999998 110.938 169.753 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -149.65 133.24 16.73 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 108.748 -0.834 . . . . 52.289999999999999 108.748 178.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 -138.08 100.08 4.05 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 106.488 -1.671 . . . . 55.329999999999998 106.488 -179.889 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -124.03 -156.13 9.39 Favored Glycine 0 C--O 1.237 0.301 0 C-N-CA 120.636 -0.792 . . . . 50.909999999999997 114.422 -175.529 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.45 -58.19 6.43 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 120.539 -0.464 . . . . 52.049999999999997 110.937 -176.59 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 77.7 p -101.85 -27.41 13.01 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 114.373 1.249 . . . . 48.649999999999999 114.373 -174.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -119.47 150.85 39.54 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 119.404 1.002 . . . . 64.150000000000006 111.453 -173.222 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -129.93 144.3 51.25 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 115.747 -0.661 . . . . 45.340000000000003 109.446 163.178 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 94.9 t -127.02 130.87 71.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 N-CA-C 108.462 -0.94 . . . . 41.740000000000002 108.462 168.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 50.2 m95 -124.15 151.73 43.64 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.597 0.759 . . . . 51.649999999999999 109.351 177.506 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 29.2 t -116.48 125.7 52.33 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 108.602 -0.888 . . . . 46.890000000000001 108.602 177.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 47.5 t -118.4 121.8 67.99 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 N-CA-C 108.016 -1.105 . . . . 44.890000000000001 108.016 -174.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -107.6 133.12 52.51 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 109.841 -0.429 . . . . 58.32 109.841 173.405 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 52.3 m -109.62 118.77 37.45 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 107.949 -1.13 . . . . 49.939999999999998 107.949 175.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 18.8 m -122.1 158.96 25.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-O 121.98 0.895 . . . . 53.969999999999999 110.821 -177.068 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 43.6 p30 -92.26 -175.13 3.95 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.768 0.794 . . . . 62.270000000000003 110.315 172.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.36 -32.51 66.83 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 115.638 -0.71 . . . . 68.900000000000006 112.476 -177.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -81.85 -6.21 58.89 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 113.628 0.973 . . . . 72.489999999999995 113.628 -177.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 87.36 4.24 80.9 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-O 119.105 -0.831 . . . . 71.890000000000001 114.189 -171.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 35.5 ttp180 -64.86 123.11 18.54 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 118.208 1.004 . . . . 101.87 110.239 173.11 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 56.4 tp -73.44 112.93 9.97 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 109.457 -0.571 . . . . 54.130000000000003 109.457 177.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 85.9 t -89.36 -38.57 11.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 123.206 0.602 . . . . 56.520000000000003 111.926 -179.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -156.04 157.7 36.57 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 107.4 -1.333 . . . . 46.0 107.4 -178.74 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 68.7 ttt-85 -150.87 137.35 18.7 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 108.29 -1.004 . . . . 45.359999999999999 108.29 179.385 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -139.61 147.45 19.19 Favored Glycine 0 CA--C 1.518 0.266 0 O-C-N 123.678 0.611 . . . . 37.329999999999998 112.763 -177.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -110.76 129.99 55.69 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 108.351 -0.981 . . . . 52.460000000000001 108.351 174.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 84.3 t -124.03 120.39 59.38 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 N-CA-C 108.678 -0.86 . . . . 40.560000000000002 108.678 -172.871 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 53.4 ttm-85 -101.14 131.2 47.2 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 107.106 -1.442 . . . . 53.789999999999999 107.106 176.24 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.4 mp -131.59 153.33 50.0 Favored 'General case' 0 N--CA 1.45 -0.436 0 O-C-N 124.012 0.82 . . . . 48.009999999999998 109.734 -179.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' HIS . . . . . 0.572 ' HB3' HG13 ' A' ' 75' ' ' VAL . 74.5 t60 -105.07 137.06 43.4 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.495 -0.928 . . . . 78.780000000000001 108.495 -179.378 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -90.64 117.12 29.05 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.398 -0.593 . . . . 51.170000000000002 109.398 175.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 12.4 mt -97.36 96.47 8.4 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 106.938 -1.504 . . . . 68.530000000000001 106.938 172.541 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 70.6 mtt-85 -89.04 152.55 21.61 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 120.338 -0.545 . . . . 66.760000000000005 110.665 -170.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.407 0 CA-C-N 115.405 -0.816 . . . . 68.519999999999996 109.63 174.784 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 302' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 401' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 402' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 403' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 404' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 405' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 406' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 407' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 408' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 409' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 410' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 411' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 412' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 413' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 414' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 415' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 416' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 417' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 418' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 419' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 420' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 421' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 422' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 423' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 424' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.182 0 CA-C-O 120.611 0.243 . . . . 94.239999999999995 111.138 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -115.7 7.62 14.75 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 112.698 0.629 . . . . 90.150000000000006 112.698 -177.698 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 110.64 160.81 17.56 Favored Glycine 0 N--CA 1.439 -1.131 0 CA-C-O 121.691 0.606 . . . . 64.25 111.823 179.761 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -76.5 -30.64 4.96 Favored 'Trans proline' 0 C--N 1.326 -0.619 0 N-CA-C 114.974 1.105 . . . . 65.030000000000001 114.974 -175.181 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -72.24 -41.33 66.92 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 118.994 -1.083 . . . . 60.0 110.552 177.374 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 71.5 t -59.06 -39.57 78.73 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 C-N-CA 120.088 -0.645 . . . . 64.230000000000004 110.779 176.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . . . -59.74 -45.43 92.23 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.177 -0.609 . . . . 61.390000000000001 111.008 174.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -62.77 -35.29 79.34 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 119.795 -0.762 . . . . 64.760000000000005 111.588 -178.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.1 mt -64.4 -18.86 65.09 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 112.281 0.475 . . . . 55.329999999999998 112.281 177.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.75 15.84 80.1 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.696 -0.764 . . . . 59.359999999999999 114.733 -178.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.1 mt -67.03 136.98 56.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 118.201 1.0 . . . . 61.840000000000003 111.063 179.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -125.3 110.58 14.18 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 107.877 -1.157 . . . . 107.18000000000001 107.877 174.47 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -79.13 126.4 30.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.047 0.451 . . . . 64.760000000000005 110.937 -174.301 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -90.96 -27.11 18.91 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.445 -0.798 . . . . 99.540000000000006 111.792 174.223 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.519 ' HD2' ' NH2' ' A' ' 29' ' ' ARG . 44.1 ttm-85 -156.72 132.23 9.36 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.453 -0.943 . . . . 66.900000000000006 108.453 -176.37 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 23.8 mt -137.02 87.13 0.62 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.401 0 N-CA-C 107.987 -1.116 . . . . 61.390000000000001 107.987 173.297 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -105.02 164.7 14.59 Favored Pre-proline 0 C--N 1.316 -0.866 0 C-N-CA 122.93 0.492 . . . . 77.489999999999995 110.016 179.047 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -61.64 -7.74 9.69 Favored 'Trans proline' 0 C--O 1.237 0.47 0 N-CA-C 113.64 0.592 . . . . 57.950000000000003 113.64 174.932 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 43.0 p-10 -128.96 5.31 5.39 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 113.524 0.935 . . . . 87.450000000000003 113.524 -175.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.519 ' NH2' ' HD2' ' A' ' 24' ' ' ARG . 49.9 ttp180 -176.64 138.94 0.3 Allowed 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 108.858 -0.793 . . . . 70.420000000000002 108.858 -178.502 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.27 141.69 47.06 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 107.977 -1.12 . . . . 51.899999999999999 107.977 171.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.2 t -135.29 127.68 47.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 N-CA-C 108.532 -0.914 . . . . 54.840000000000003 108.532 -175.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -134.85 146.15 48.97 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.846 0.355 . . . . 55.700000000000003 110.184 177.753 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -106.69 151.25 25.35 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.506 -0.924 . . . . 74.790000000000006 108.506 175.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 9.2 p-90 -167.18 174.89 7.82 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.826 -1.176 . . . . 53.299999999999997 107.826 177.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.3 t -141.2 149.09 40.95 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.587 -0.733 . . . . 81.25 110.191 -175.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.2 t -66.93 139.03 21.75 Favored 'Isoleucine or valine' 0 C--O 1.239 0.5 0 N-CA-C 109.129 -0.693 . . . . 64.900000000000006 109.129 170.427 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.5 mtm-85 -133.03 161.78 33.45 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 109.088 -0.708 . . . . 67.879999999999995 109.088 -178.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.32 -41.89 85.54 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.141 -0.936 . . . . 74.650000000000006 111.596 -177.395 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -76.19 -8.43 57.02 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 113.496 0.924 . . . . 73.340000000000003 113.496 -177.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 74.6 mt -97.53 5.35 49.69 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 118.667 0.667 . . . . 60.369999999999997 112.677 178.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.8 mt -91.84 158.27 16.41 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.777 0.799 . . . . 72.730000000000004 111.382 -172.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -100.79 166.54 12.3 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 114.908 -1.042 . . . . 87.689999999999998 109.418 170.731 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -47.92 -24.12 4.87 Favored 'Trans proline' 0 N--CA 1.48 0.712 0 N-CA-C 117.943 2.247 . . . . 99.469999999999999 117.943 -163.28 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . . . -104.36 30.06 5.59 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 120.759 1.618 . . . . 79.909999999999997 113.063 -175.598 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.85 10.52 86.17 Favored Glycine 0 C--O 1.238 0.371 0 N-CA-C 117.44 1.736 . . . . 75.040000000000006 117.44 171.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.3 pt -114.93 163.41 12.25 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-N 119.428 1.614 . . . . 69.469999999999999 109.683 175.324 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 30.9 tp -57.43 128.05 35.06 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.938 -1.028 . . . . 51.149999999999999 111.018 -179.003 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 62.2 t-80 -52.25 134.7 33.36 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.813 -0.631 . . . . 50.450000000000003 109.462 167.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.64 -34.55 90.21 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.267 -0.968 . . . . 45.240000000000002 112.982 -176.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -57.38 -30.02 61.1 Favored Glycine 0 C--N 1.337 0.63 0 C-N-CA 120.376 -0.916 . . . . 45.93 113.108 176.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.1 t -62.78 -42.96 98.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 C-N-CA 119.259 -0.977 . . . . 47.32 110.421 177.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -56.73 -46.46 81.3 Favored 'General case' 0 C--O 1.235 0.327 0 O-C-N 121.826 -0.546 . . . . 51.850000000000001 111.345 175.216 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 58.4 m -62.39 -43.59 98.46 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 120.532 -0.467 . . . . 41.740000000000002 111.403 179.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.29 -39.83 95.68 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 121.071 -0.252 . . . . 46.07 111.61 -178.561 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.6 t -67.11 -41.78 87.46 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 CA-C-O 121.265 0.555 . . . . 45.380000000000003 110.71 177.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.5 t -59.42 -47.27 91.28 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 CA-C-O 121.514 0.673 . . . . 40.32 110.11 175.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -56.98 -49.25 76.31 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 121.748 -0.595 . . . . 52.109999999999999 110.829 176.891 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.3 m -60.35 -48.58 81.14 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 122.069 -0.394 . . . . 48.460000000000001 111.839 -177.47 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 62.1 t -70.73 -40.06 76.42 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 C-N-CA 118.946 -1.102 . . . . 46.549999999999997 110.445 -172.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.41 -41.77 88.77 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 119.632 -0.827 . . . . 45.049999999999997 111.402 176.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.8 m -63.01 -39.74 95.66 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 119.782 -0.767 . . . . 55.689999999999998 111.076 -179.016 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.42 -45.59 84.45 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 120.39 -0.524 . . . . 51.140000000000001 110.667 176.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.23 -43.57 77.63 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 119.82 -0.752 . . . . 50.039999999999999 111.056 -178.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.17 -44.09 97.86 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.648 0.261 . . . . 49.409999999999997 111.224 -178.871 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -59.09 -48.51 81.32 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.027 0.441 . . . . 91.900000000000006 110.665 177.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 52.5 tpt85 -63.92 -29.94 71.07 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 111.991 0.367 . . . . 70.900000000000006 111.991 179.878 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 90.5 t90 -76.51 -37.03 57.37 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 119.37 -0.932 . . . . 53.740000000000002 112.204 176.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.5 tp -73.53 -32.32 64.15 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 119.524 -0.871 . . . . 61.020000000000003 110.826 179.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.2 -148.35 43.61 Favored Glycine 0 C--N 1.333 0.369 0 CA-C-O 122.015 0.786 . . . . 61.18 111.908 176.12 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . . . -69.07 -5.39 21.73 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 112.937 0.718 . . . . 64.739999999999995 112.937 -177.244 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.6 mtm-85 -69.95 -12.01 61.29 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 113.981 1.104 . . . . 98.819999999999993 113.981 -175.577 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 162.02 -169.15 37.33 Favored Glycine 0 N--CA 1.448 -0.566 0 N-CA-C 110.312 -1.115 . . . . 60.640000000000001 110.312 -174.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.5 t -129.15 148.37 51.08 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 114.881 -0.659 . . . . 74.579999999999998 110.849 179.175 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.6 m -103.56 144.17 14.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 122.107 0.956 . . . . 56.140000000000001 110.553 -177.222 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.572 HG13 ' HB3' ' A' ' 130' ' ' HIS . 1.9 p -130.55 128.09 63.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 N-CA-C 107.657 -1.238 . . . . 60.490000000000002 107.657 -178.407 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.47 138.07 48.6 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.071 -1.062 . . . . 50.240000000000002 111.104 177.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 52.9 t -110.72 -50.73 6.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 123.413 0.685 . . . . 44.549999999999997 111.791 175.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 84.1 p -159.49 161.2 35.34 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.647 0.737 . . . . 52.329999999999998 110.295 -179.205 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -149.11 114.54 5.56 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 107.541 -1.281 . . . . 43.530000000000001 107.541 -170.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.5 t -118.11 111.07 18.39 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 107.935 -1.135 . . . . 43.5 107.935 179.432 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 54.3 m -121.0 129.82 53.55 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 109.488 -0.56 . . . . 37.990000000000002 109.488 -175.26 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -97.48 139.27 33.66 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 123.693 0.797 . . . . 51.409999999999997 109.418 170.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -107.66 116.29 31.68 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 107.062 -1.458 . . . . 42.369999999999997 107.062 174.389 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -99.9 -24.65 14.59 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 114.544 1.313 . . . . 57.640000000000001 114.544 -172.475 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -148.72 149.68 31.38 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 107.916 -1.142 . . . . 60.090000000000003 107.916 179.181 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -70.24 134.12 26.23 Favored 'Trans proline' 0 C--N 1.331 -0.392 0 N-CA-C 109.481 -1.007 . . . . 69.189999999999998 109.481 176.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.83 134.09 51.27 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 108.815 -0.809 . . . . 53.039999999999999 108.815 174.282 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 69.7 p -127.45 176.38 7.5 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 121.615 0.721 . . . . 55.409999999999997 109.511 178.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 27.4 m -58.88 -34.25 51.97 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-N 114.934 -1.03 . . . . 70.260000000000005 110.584 174.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.19 -17.38 64.43 Favored 'General case' 0 CA--C 1.517 -0.305 0 O-C-N 121.88 -0.513 . . . . 59.649999999999999 112.185 -178.429 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -82.42 -6.36 59.24 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 119.082 -1.047 . . . . 77.230000000000004 113.184 -170.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 78.18 -143.82 27.77 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 119.689 -1.243 . . . . 57.93 114.87 174.28 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -91.07 123.11 34.28 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 112.286 0.476 . . . . 92.939999999999998 112.286 -167.779 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 26.8 mt -94.31 144.64 25.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.88 -0.6 . . . . 56.060000000000002 109.943 177.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 83.6 m -121.35 120.75 35.95 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 123.41 0.684 . . . . 52.219999999999999 109.311 177.698 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.4 m -110.06 124.87 52.25 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 122.309 0.244 . . . . 46.960000000000001 110.72 -179.623 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 85.5 m -123.21 121.63 36.41 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 109.599 -0.519 . . . . 49.859999999999999 109.599 -175.024 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -97.26 125.33 41.75 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 123.152 0.581 . . . . 47.990000000000002 109.505 177.206 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 95.6 mt -121.5 146.27 44.74 Favored Pre-proline 0 C--O 1.237 0.395 0 CA-C-N 116.228 -0.442 . . . . 58.310000000000002 110.555 176.659 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -75.81 139.02 21.83 Favored 'Trans proline' 0 CA--C 1.514 -0.498 0 N-CA-C 110.367 -0.667 . . . . 53.07 110.367 -173.864 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 72.5 t -104.69 -46.86 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 115.426 -0.807 . . . . 43.579999999999998 110.938 169.753 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -149.65 133.24 16.73 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 108.748 -0.834 . . . . 52.289999999999999 108.748 178.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 -138.08 100.08 4.05 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 106.488 -1.671 . . . . 55.329999999999998 106.488 -179.889 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -124.03 -156.13 9.39 Favored Glycine 0 C--O 1.237 0.301 0 C-N-CA 120.636 -0.792 . . . . 50.909999999999997 114.422 -175.529 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.45 -58.19 6.43 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 120.539 -0.464 . . . . 52.049999999999997 110.937 -176.59 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 77.7 p -101.85 -27.41 13.01 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 114.373 1.249 . . . . 48.649999999999999 114.373 -174.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -119.47 150.85 39.54 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 119.404 1.002 . . . . 64.150000000000006 111.453 -173.222 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -129.93 144.3 51.25 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 115.747 -0.661 . . . . 45.340000000000003 109.446 163.178 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 94.9 t -127.02 130.87 71.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 N-CA-C 108.462 -0.94 . . . . 41.740000000000002 108.462 168.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 50.2 m95 -124.15 151.73 43.64 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.597 0.759 . . . . 51.649999999999999 109.351 177.506 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 29.2 t -116.48 125.7 52.33 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 108.602 -0.888 . . . . 46.890000000000001 108.602 177.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 47.5 t -118.4 121.8 67.99 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 N-CA-C 108.016 -1.105 . . . . 44.890000000000001 108.016 -174.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -107.6 133.12 52.51 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 109.841 -0.429 . . . . 58.32 109.841 173.405 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 52.3 m -109.62 118.77 37.45 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 107.949 -1.13 . . . . 49.939999999999998 107.949 175.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 18.8 m -122.1 158.96 25.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-O 121.98 0.895 . . . . 53.969999999999999 110.821 -177.068 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 43.6 p30 -92.26 -175.13 3.95 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.768 0.794 . . . . 62.270000000000003 110.315 172.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.36 -32.51 66.83 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 115.638 -0.71 . . . . 68.900000000000006 112.476 -177.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -81.85 -6.21 58.89 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 113.628 0.973 . . . . 72.489999999999995 113.628 -177.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 87.36 4.24 80.9 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-O 119.105 -0.831 . . . . 71.890000000000001 114.189 -171.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 35.5 ttp180 -64.86 123.11 18.54 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 118.208 1.004 . . . . 101.87 110.239 173.11 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 56.4 tp -73.44 112.93 9.97 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 109.457 -0.571 . . . . 54.130000000000003 109.457 177.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 85.9 t -89.36 -38.57 11.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 123.206 0.602 . . . . 56.520000000000003 111.926 -179.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -156.04 157.7 36.57 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 107.4 -1.333 . . . . 46.0 107.4 -178.74 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 68.7 ttt-85 -150.87 137.35 18.7 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 108.29 -1.004 . . . . 45.359999999999999 108.29 179.385 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -139.61 147.45 19.19 Favored Glycine 0 CA--C 1.518 0.266 0 O-C-N 123.678 0.611 . . . . 37.329999999999998 112.763 -177.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -110.76 129.99 55.69 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 108.351 -0.981 . . . . 52.460000000000001 108.351 174.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 84.3 t -124.03 120.39 59.38 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 N-CA-C 108.678 -0.86 . . . . 40.560000000000002 108.678 -172.871 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 53.4 ttm-85 -101.14 131.2 47.2 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 107.106 -1.442 . . . . 53.789999999999999 107.106 176.24 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.4 mp -131.59 153.33 50.0 Favored 'General case' 0 N--CA 1.45 -0.436 0 O-C-N 124.012 0.82 . . . . 48.009999999999998 109.734 -179.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.572 ' HB3' HG13 ' A' ' 75' ' ' VAL . 74.5 t60 -105.07 137.06 43.4 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.495 -0.928 . . . . 78.780000000000001 108.495 -179.378 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -90.64 117.12 29.05 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.398 -0.593 . . . . 51.170000000000002 109.398 175.025 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 12.4 mt -97.36 96.47 8.4 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 106.938 -1.504 . . . . 68.530000000000001 106.938 172.541 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 70.6 mtt-85 -89.04 152.55 21.61 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 120.338 -0.545 . . . . 66.760000000000005 110.665 -170.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.407 0 CA-C-N 115.405 -0.816 . . . . 68.519999999999996 109.63 174.784 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 401' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 402' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 403' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 404' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 405' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 406' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 407' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 408' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 409' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 410' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 411' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 412' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 413' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 414' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 415' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 416' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 417' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 418' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 419' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 420' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 421' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 422' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 423' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 424' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_