data_3h6c_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 3h6c _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.807 0 CA-C-O 118.632 -0.699 . . . . 22.65 109.499 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 61.9 m -103.14 145.66 29.58 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 113.658 0.985 . . . . 22.29 113.658 178.181 -56.518 -92.027 108.816 106.51 2.094 105.779 -93.215 -53.937 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -141.67 155.25 45.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.956 -1.02 . . . . 33.45 110.236 -176.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' CYS . . . . . 0.444 ' SG ' ' CZ ' ' B' ' 28' ' ' PHE . 98.1 m -98.38 132.33 43.93 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 107.63 -1.248 . . . . 23.42 107.63 168.31 -65.369 -82.829 -90.576 106.376 2.057 102.753 -163.62 -41.994 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 84.7 mtt-85 -141.38 147.23 37.69 Favored 'General case' 0 C--O 1.244 0.763 0 N-CA-C 109.662 -0.496 . . . . 22.06 109.662 -173.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.0 mt -121.55 135.28 24.98 Favored Pre-proline 0 CA--C 1.556 1.201 0 N-CA-C 107.656 -1.238 . . . . 19.24 107.656 171.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -99.1 -3.52 22.32 Favored 'Cis proline' 0 CA--C 1.506 -0.878 0 CA-C-O 119.226 -0.406 . . . . 22.67 112.105 3.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -153.4 165.87 34.42 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 124.322 1.014 . . . . 20.93 111.126 -172.492 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 77.0 m -69.48 161.81 28.73 Favored 'General case' 0 N--CA 1.433 -1.279 0 CA-C-N 114.746 -1.116 . . . . 21.08 109.635 176.352 -60.98 -48.268 -86.519 106.141 2.069 104.078 -71.993 -63.41 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -93.42 161.17 2.6 Favored 'Isoleucine or valine' 0 C--O 1.268 2.068 0 C-N-CA 115.536 -2.465 . . . . 21.6 107.585 177.392 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -48.57 130.79 17.39 Favored 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 112.732 0.642 . . . . 16.9 112.732 -178.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.61 -22.16 41.81 Favored Glycine 0 C--O 1.225 -0.439 0 C-N-CA 120.734 -0.746 . . . . 14.27 113.72 -175.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -92.98 165.27 12.95 Favored 'General case' 0 CA--C 1.504 -0.806 0 N-CA-C 108.935 -0.765 . . . . 19.82 108.935 179.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.0 mmm-85 -125.57 140.23 52.92 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 106.917 -1.512 . . . . 23.32 106.917 173.088 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -80.28 121.51 25.73 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 110.078 -0.342 . . . . 27.01 110.078 174.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -101.57 -15.04 17.21 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 112.89 0.7 . . . . 26.96 112.89 -179.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 176.69 -152.9 12.97 Favored Glycine 0 N--CA 1.469 0.897 0 N-CA-C 109.395 -1.482 . . . . 15.53 109.395 -172.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' THR . . . . . 0.535 ' CG2' ' CD1' ' A' ' 25' ' ' LEU . 93.0 m -134.56 148.82 50.55 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 113.962 -1.119 . . . . 19.68 110.747 -177.042 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.2 m -114.08 148.73 36.61 Favored 'General case' 0 C--O 1.262 1.716 0 N-CA-C 107.342 -1.355 . . . . 23.53 107.342 175.122 -41.994 -163.62 -90.576 102.753 2.057 106.376 -82.829 -65.369 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 8.0 mt -113.16 116.89 53.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 104.574 -2.38 . . . . 27.4 104.574 168.377 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' TYR . . . . . 0.44 ' CD1' ' O ' ' B' ' 16' ' ' TYR . 38.9 t80 -151.59 126.07 9.46 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 115.222 -0.899 . . . . 23.48 110.145 -176.158 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 57.54 34.09 24.12 Favored 'General case' 0 C--O 1.25 1.115 0 N-CA-C 112.831 0.678 . . . . 14.54 112.831 176.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.48 9.62 85.95 Favored Glycine 0 N--CA 1.474 1.215 0 N-CA-C 115.657 1.023 . . . . 15.74 115.657 176.022 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -120.68 161.41 21.45 Favored 'General case' 0 C--O 1.267 2.006 0 CA-C-O 121.241 0.543 . . . . 14.38 110.921 173.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LEU . . . . . 0.535 ' CD1' ' CG2' ' A' ' 18' ' ' THR . 15.2 tp -99.42 142.71 30.55 Favored 'General case' 0 C--O 1.242 0.686 0 C-N-CA 125.873 1.669 . . . . 17.37 109.391 -179.585 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -133.57 156.43 47.84 Favored 'General case' 0 CA--C 1.511 -0.541 0 O-C-N 123.696 0.622 . . . . 17.97 109.849 -174.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.5 135.35 40.65 Favored 'General case' 0 C--O 1.214 -0.808 0 C-N-CA 119.792 -0.763 . . . . 15.74 110.409 166.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -95.94 116.44 28.93 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 107.467 -1.309 . . . . 21.57 107.467 173.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 74.8 m -124.57 126.8 46.4 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 123.825 0.85 . . . . 17.3 112.173 -163.045 -63.41 -71.993 -86.519 104.078 2.069 106.141 -48.268 -60.98 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 56.5 m . . . . . 0 CA--C 1.498 -1.023 0 CA-C-O 122.792 1.282 . . . . 20.62 111.107 -179.587 -53.937 -93.215 108.816 105.779 2.094 106.51 -92.027 -56.518 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 122.964 1.364 . . . . 21.42 112.128 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 64.4 m -110.16 168.54 9.36 Favored 'General case' 0 N--CA 1.426 -1.635 0 C-N-CA 118.885 -1.126 . . . . 21.62 108.883 174.275 -57.427 -101.73 106.379 103.235 2.041 110.783 -94.247 -51.493 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -142.78 159.22 42.65 Favored 'General case' 0 C--O 1.253 1.251 0 O-C-N 124.619 1.199 . . . . 26.87 111.313 179.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' CYS . . . . . . . . . . . . . 87.7 m -104.93 125.88 51.41 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 107.561 -1.274 . . . . 22.22 107.561 170.852 -67.024 -75.877 -93.366 108.354 2.052 103.949 -167.551 -39.101 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 83.9 mtt-85 -135.72 144.95 46.17 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 120.479 -0.488 . . . . 18.0 111.038 -176.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 96.7 mt -119.12 131.8 24.21 Favored Pre-proline 0 N--CA 1.486 1.328 0 C-N-CA 123.665 0.786 . . . . 16.06 111.017 171.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -94.35 -7.68 30.87 Favored 'Cis proline' 0 C--N 1.363 1.333 0 O-C-N 122.064 0.507 . . . . 19.51 111.463 1.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -146.89 163.13 37.1 Favored 'General case' 0 CA--C 1.5 -0.943 0 N-CA-C 113.176 0.806 . . . . 17.54 113.176 -174.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 76.2 m -59.75 159.11 9.22 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.291 -0.868 . . . . 17.68 110.729 169.295 -58.862 -48.427 -89.876 106.476 2.051 103.293 -79.143 -56.543 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 28.8 pt -88.01 171.0 1.17 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 C-N-CA 123.74 0.816 . . . . 20.91 111.337 169.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.45 140.66 58.02 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 121.659 -0.651 . . . . 19.24 110.168 175.352 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.94 -15.26 59.59 Favored Glycine 0 C--O 1.28 2.998 0 CA-C-O 122.136 0.853 . . . . 16.49 111.75 -177.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -111.34 153.22 26.29 Favored 'General case' 0 N--CA 1.422 -1.85 0 CA-C-N 114.064 -1.068 . . . . 18.2 111.264 -175.11 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 29.3 tpt85 -113.34 135.05 54.28 Favored 'General case' 0 C--O 1.249 1.052 0 N-CA-C 106.954 -1.498 . . . . 25.18 106.954 171.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -75.74 125.21 28.62 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 112.979 0.733 . . . . 20.88 112.979 170.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' TYR . . . . . 0.483 ' C ' ' O ' ' B' ' 35' ' ' HOH . 66.8 m-85 -102.58 -12.91 17.4 Favored 'General case' 0 C--O 1.274 2.363 0 N-CA-C 114.909 1.448 . . . . 20.01 114.909 179.243 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' B' ' 35' ' ' HOH . . . 163.7 -152.49 22.46 Favored Glycine 0 N--CA 1.436 -1.3 0 N-CA-C 109.284 -1.527 . . . . 14.1 109.284 -168.385 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 89.0 m -132.69 146.11 51.6 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 114.407 -0.897 . . . . 20.05 110.203 -173.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.7 m -106.64 149.71 26.94 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.078 0.466 . . . . 21.97 109.906 170.932 -39.101 -167.551 -93.366 103.949 2.052 108.354 -75.877 -67.024 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 46.4 mt -115.81 109.99 30.15 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.193 0 N-CA-C 100.254 -3.98 . . . . 24.14 100.254 172.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -143.94 129.03 18.64 Favored 'General case' 0 CA--C 1.559 1.326 0 CA-C-N 115.04 -0.982 . . . . 20.32 108.385 -179.059 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . 55.13 37.53 29.05 Favored 'General case' 0 N--CA 1.494 1.738 0 C-N-CA 123.074 0.55 . . . . 14.82 111.622 174.144 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.74 8.46 84.45 Favored Glycine 0 C--O 1.244 0.781 0 N-CA-C 117.529 1.771 . . . . 16.34 117.529 176.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -121.56 159.67 25.9 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-O 121.488 0.661 . . . . 17.76 111.133 176.064 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 79.2 mt -100.71 136.19 40.97 Favored 'General case' 0 C--O 1.277 2.513 0 CA-C-N 114.741 -1.118 . . . . 21.8 108.406 175.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -130.59 154.41 47.89 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 125.632 1.832 . . . . 15.02 110.338 -176.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.36 134.52 46.76 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.859 -0.793 . . . . 14.12 108.859 167.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' PHE . . . . . 0.881 ' CD2' ' O ' ' B' ' 35' ' ' HOH . 43.5 t80 -97.28 115.17 27.16 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 107.244 -1.391 . . . . 22.37 107.244 175.02 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 61.9 m -124.12 134.23 53.4 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 124.317 1.011 . . . . 16.72 110.923 -163.81 -56.543 -79.143 -89.876 103.293 2.051 106.476 -48.427 -58.862 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 35.5 m . . . . . 0 N--CA 1.47 0.536 0 CA-C-O 116.722 -1.609 . . . . 22.24 110.714 173.944 -51.493 -94.247 106.379 110.783 2.041 103.235 -101.73 -57.427 0 0 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' PEG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' PEG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' HOH . . . . . 0.881 ' O ' ' CD2' ' B' ' 28' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.807 0 CA-C-O 118.632 -0.699 . . . . 22.649999999999999 109.499 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 61.9 m -103.14 145.66 29.58 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 113.658 0.985 . . . . 22.289999999999999 113.658 178.181 -56.518 -92.027 108.816 106.51 2.094 105.779 -93.215 -53.937 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -141.67 155.25 45.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.956 -1.02 . . . . 33.450000000000003 110.236 -176.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' CYS . . . . . 0.444 ' SG ' ' CZ ' ' B' ' 28' ' ' PHE . 98.1 m -98.38 132.33 43.93 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 107.63 -1.248 . . . . 23.420000000000002 107.63 168.31 -65.369 -82.829 -90.576 106.376 2.057 102.753 -163.62 -41.994 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 84.7 mtt-85 -141.38 147.23 37.69 Favored 'General case' 0 C--O 1.244 0.763 0 N-CA-C 109.662 -0.496 . . . . 22.059999999999999 109.662 -173.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.0 mt -121.55 135.28 24.98 Favored Pre-proline 0 CA--C 1.556 1.201 0 N-CA-C 107.656 -1.238 . . . . 19.239999999999998 107.656 171.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -99.1 -3.52 22.32 Favored 'Cis proline' 0 CA--C 1.506 -0.878 0 CA-C-O 119.226 -0.406 . . . . 22.670000000000002 112.105 3.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -153.4 165.87 34.42 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 124.322 1.014 . . . . 20.93 111.126 -172.492 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 77.0 m -69.48 161.81 28.73 Favored 'General case' 0 N--CA 1.433 -1.279 0 CA-C-N 114.746 -1.116 . . . . 21.079999999999998 109.635 176.352 -60.98 -48.268 -86.519 106.141 2.069 104.078 -71.993 -63.41 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -93.42 161.17 2.6 Favored 'Isoleucine or valine' 0 C--O 1.268 2.068 0 C-N-CA 115.536 -2.465 . . . . 21.600000000000001 107.585 177.392 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -48.57 130.79 17.39 Favored 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 112.732 0.642 . . . . 16.899999999999999 112.732 -178.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.61 -22.16 41.81 Favored Glycine 0 C--O 1.225 -0.439 0 C-N-CA 120.734 -0.746 . . . . 14.27 113.72 -175.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -92.98 165.27 12.95 Favored 'General case' 0 CA--C 1.504 -0.806 0 N-CA-C 108.935 -0.765 . . . . 19.82 108.935 179.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.0 mmm-85 -125.57 140.23 52.92 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 106.917 -1.512 . . . . 23.32 106.917 173.088 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -80.28 121.51 25.73 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 110.078 -0.342 . . . . 27.010000000000002 110.078 174.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -101.57 -15.04 17.21 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 112.89 0.7 . . . . 26.960000000000001 112.89 -179.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 176.69 -152.9 12.97 Favored Glycine 0 N--CA 1.469 0.897 0 N-CA-C 109.395 -1.482 . . . . 15.529999999999999 109.395 -172.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' THR . . . . . 0.743 HG21 HD11 ' A' ' 25' ' ' LEU . 93.0 m -134.56 148.82 50.55 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 113.962 -1.119 . . . . 19.68 110.747 -177.042 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.2 m -114.08 148.73 36.61 Favored 'General case' 0 C--O 1.262 1.716 0 N-CA-C 107.342 -1.355 . . . . 23.530000000000001 107.342 175.122 -41.994 -163.62 -90.576 102.753 2.057 106.376 -82.829 -65.369 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ILE . . . . . 0.603 HD11 HD11 ' B' ' 20' ' ' ILE . 8.0 mt -113.16 116.89 53.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 104.574 -2.38 . . . . 27.399999999999999 104.574 168.377 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' TYR . . . . . 0.58 ' HD1' ' O ' ' B' ' 16' ' ' TYR . 38.9 t80 -151.59 126.07 9.46 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 115.222 -0.899 . . . . 23.48 110.145 -176.158 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 57.54 34.09 24.12 Favored 'General case' 0 C--O 1.25 1.115 0 N-CA-C 112.831 0.678 . . . . 14.539999999999999 112.831 176.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.48 9.62 85.95 Favored Glycine 0 N--CA 1.474 1.215 0 N-CA-C 115.657 1.023 . . . . 15.74 115.657 176.022 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -120.68 161.41 21.45 Favored 'General case' 0 C--O 1.267 2.006 0 CA-C-O 121.241 0.543 . . . . 14.380000000000001 110.921 173.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LEU . . . . . 0.743 HD11 HG21 ' A' ' 18' ' ' THR . 15.2 tp -99.42 142.71 30.55 Favored 'General case' 0 C--O 1.242 0.686 0 C-N-CA 125.873 1.669 . . . . 17.370000000000001 109.391 -179.585 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -133.57 156.43 47.84 Favored 'General case' 0 CA--C 1.511 -0.541 0 O-C-N 123.696 0.622 . . . . 17.969999999999999 109.849 -174.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.5 135.35 40.65 Favored 'General case' 0 C--O 1.214 -0.808 0 C-N-CA 119.792 -0.763 . . . . 15.74 110.409 166.598 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -95.94 116.44 28.93 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 107.467 -1.309 . . . . 21.57 107.467 173.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 74.8 m -124.57 126.8 46.4 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 123.825 0.85 . . . . 17.300000000000001 112.173 -163.045 -63.41 -71.993 -86.519 104.078 2.069 106.141 -48.268 -60.98 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 56.5 m . . . . . 0 CA--C 1.498 -1.023 0 CA-C-O 122.792 1.282 . . . . 20.620000000000001 111.107 -179.587 -53.937 -93.215 108.816 105.779 2.094 106.51 -92.027 -56.518 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 122.964 1.364 . . . . 21.420000000000002 112.128 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 64.4 m -110.16 168.54 9.36 Favored 'General case' 0 N--CA 1.426 -1.635 0 C-N-CA 118.885 -1.126 . . . . 21.620000000000001 108.883 174.275 -57.427 -101.73 106.379 103.235 2.041 110.783 -94.247 -51.493 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -142.78 159.22 42.65 Favored 'General case' 0 C--O 1.253 1.251 0 O-C-N 124.619 1.199 . . . . 26.870000000000001 111.313 179.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' CYS . . . . . . . . . . . . . 87.7 m -104.93 125.88 51.41 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 107.561 -1.274 . . . . 22.219999999999999 107.561 170.852 -67.024 -75.877 -93.366 108.354 2.052 103.949 -167.551 -39.101 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 83.9 mtt-85 -135.72 144.95 46.17 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 120.479 -0.488 . . . . 18.0 111.038 -176.212 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ILE . . . . . 0.415 HG13 ' CE3' ' B' ' 26' ' ' TRP . 96.7 mt -119.12 131.8 24.21 Favored Pre-proline 0 N--CA 1.486 1.328 0 C-N-CA 123.665 0.786 . . . . 16.059999999999999 111.017 171.134 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -94.35 -7.68 30.87 Favored 'Cis proline' 0 C--N 1.363 1.333 0 O-C-N 122.064 0.507 . . . . 19.510000000000002 111.463 1.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -146.89 163.13 37.1 Favored 'General case' 0 CA--C 1.5 -0.943 0 N-CA-C 113.176 0.806 . . . . 17.539999999999999 113.176 -174.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 76.2 m -59.75 159.11 9.22 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.291 -0.868 . . . . 17.68 110.729 169.295 -58.862 -48.427 -89.876 106.476 2.051 103.293 -79.143 -56.543 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 28.8 pt -88.01 171.0 1.17 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 C-N-CA 123.74 0.816 . . . . 20.91 111.337 169.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.45 140.66 58.02 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 121.659 -0.651 . . . . 19.239999999999998 110.168 175.352 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.94 -15.26 59.59 Favored Glycine 0 C--O 1.28 2.998 0 CA-C-O 122.136 0.853 . . . . 16.489999999999998 111.75 -177.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -111.34 153.22 26.29 Favored 'General case' 0 N--CA 1.422 -1.85 0 CA-C-N 114.064 -1.068 . . . . 18.199999999999999 111.264 -175.11 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 29.3 tpt85 -113.34 135.05 54.28 Favored 'General case' 0 C--O 1.249 1.052 0 N-CA-C 106.954 -1.498 . . . . 25.18 106.954 171.153 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -75.74 125.21 28.62 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 112.979 0.733 . . . . 20.879999999999999 112.979 170.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' TYR . . . . . 0.58 ' O ' ' HD1' ' A' ' 21' ' ' TYR . 66.8 m-85 -102.58 -12.91 17.4 Favored 'General case' 0 C--O 1.274 2.363 0 N-CA-C 114.909 1.448 . . . . 20.010000000000002 114.909 179.243 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 17' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' B' ' 35' ' ' HOH . . . 163.7 -152.49 22.46 Favored Glycine 0 N--CA 1.436 -1.3 0 N-CA-C 109.284 -1.527 . . . . 14.1 109.284 -168.385 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 89.0 m -132.69 146.11 51.6 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 114.407 -0.897 . . . . 20.050000000000001 110.203 -173.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.7 m -106.64 149.71 26.94 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.078 0.466 . . . . 21.969999999999999 109.906 170.932 -39.101 -167.551 -93.366 103.949 2.052 108.354 -75.877 -67.024 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ILE . . . . . 0.603 HD11 HD11 ' A' ' 20' ' ' ILE . 46.4 mt -115.81 109.99 30.15 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.193 0 N-CA-C 100.254 -3.98 . . . . 24.140000000000001 100.254 172.285 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -143.94 129.03 18.64 Favored 'General case' 0 CA--C 1.559 1.326 0 CA-C-N 115.04 -0.982 . . . . 20.32 108.385 -179.059 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . 55.13 37.53 29.05 Favored 'General case' 0 N--CA 1.494 1.738 0 C-N-CA 123.074 0.55 . . . . 14.82 111.622 174.144 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.74 8.46 84.45 Favored Glycine 0 C--O 1.244 0.781 0 N-CA-C 117.529 1.771 . . . . 16.34 117.529 176.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -121.56 159.67 25.9 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-O 121.488 0.661 . . . . 17.760000000000002 111.133 176.064 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 79.2 mt -100.71 136.19 40.97 Favored 'General case' 0 C--O 1.277 2.513 0 CA-C-N 114.741 -1.118 . . . . 21.800000000000001 108.406 175.023 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' TRP . . . . . 0.415 ' CE3' HG13 ' B' ' 6' ' ' ILE . 13.4 m95 -130.59 154.41 47.89 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 125.632 1.832 . . . . 15.02 110.338 -176.996 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.36 134.52 46.76 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.859 -0.793 . . . . 14.119999999999999 108.859 167.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' PHE . . . . . 1.078 ' HD2' ' O ' ' B' ' 35' ' ' HOH . 43.5 t80 -97.28 115.17 27.16 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 107.244 -1.391 . . . . 22.370000000000001 107.244 175.02 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 61.9 m -124.12 134.23 53.4 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 124.317 1.011 . . . . 16.719999999999999 110.923 -163.81 -56.543 -79.143 -89.876 103.293 2.051 106.476 -48.427 -58.862 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 35.5 m . . . . . 0 N--CA 1.47 0.536 0 CA-C-O 116.722 -1.609 . . . . 22.239999999999998 110.714 173.944 -51.493 -94.247 106.379 110.783 2.041 103.235 -101.73 -57.427 0 0 . 1 . 001 ecloud build full ' A' A ' 31' ' ' PEG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 31' ' ' PEG . . . . . 0.404 ' H32' ' O ' ' B' ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 35' ' ' HOH . . . . . 1.078 ' O ' ' HD2' ' B' ' 28' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 47' ' ' HOH . . . . . 0.404 ' O ' ' H32' ' B' ' 31' ' ' PEG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.807 0 CA-C-O 118.632 -0.699 . . . . 22.649999999999999 109.499 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 61.9 m -103.14 145.66 29.58 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 113.658 0.985 . . . . 22.289999999999999 113.658 178.181 -56.518 -92.027 108.816 106.51 2.094 105.779 -93.215 -53.937 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -141.67 155.25 45.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.956 -1.02 . . . . 33.450000000000003 110.236 -176.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.444 ' SG ' ' CZ ' ' B' ' 28' ' ' PHE . 98.1 m -98.38 132.33 43.93 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 107.63 -1.248 . . . . 23.420000000000002 107.63 168.31 -65.369 -82.829 -90.576 106.376 2.057 102.753 -163.62 -41.994 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 84.7 mtt-85 -141.38 147.23 37.69 Favored 'General case' 0 C--O 1.244 0.763 0 N-CA-C 109.662 -0.496 . . . . 22.059999999999999 109.662 -173.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.0 mt -121.55 135.28 24.98 Favored Pre-proline 0 CA--C 1.556 1.201 0 N-CA-C 107.656 -1.238 . . . . 19.239999999999998 107.656 171.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -99.1 -3.52 22.32 Favored 'Cis proline' 0 CA--C 1.506 -0.878 0 CA-C-O 119.226 -0.406 . . . . 22.670000000000002 112.105 3.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -153.4 165.87 34.42 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 124.322 1.014 . . . . 20.93 111.126 -172.492 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 77.0 m -69.48 161.81 28.73 Favored 'General case' 0 N--CA 1.433 -1.279 0 CA-C-N 114.746 -1.116 . . . . 21.079999999999998 109.635 176.352 -60.98 -48.268 -86.519 106.141 2.069 104.078 -71.993 -63.41 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -93.42 161.17 2.6 Favored 'Isoleucine or valine' 0 C--O 1.268 2.068 0 C-N-CA 115.536 -2.465 . . . . 21.600000000000001 107.585 177.392 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -48.57 130.79 17.39 Favored 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 112.732 0.642 . . . . 16.899999999999999 112.732 -178.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.61 -22.16 41.81 Favored Glycine 0 C--O 1.225 -0.439 0 C-N-CA 120.734 -0.746 . . . . 14.27 113.72 -175.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -92.98 165.27 12.95 Favored 'General case' 0 CA--C 1.504 -0.806 0 N-CA-C 108.935 -0.765 . . . . 19.82 108.935 179.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.0 mmm-85 -125.57 140.23 52.92 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 106.917 -1.512 . . . . 23.32 106.917 173.088 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -80.28 121.51 25.73 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 110.078 -0.342 . . . . 27.010000000000002 110.078 174.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -101.57 -15.04 17.21 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 112.89 0.7 . . . . 26.960000000000001 112.89 -179.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 176.69 -152.9 12.97 Favored Glycine 0 N--CA 1.469 0.897 0 N-CA-C 109.395 -1.482 . . . . 15.529999999999999 109.395 -172.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' THR . . . . . 0.743 HG21 HD11 ' A' ' 25' ' ' LEU . 93.0 m -134.56 148.82 50.55 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 113.962 -1.119 . . . . 19.68 110.747 -177.042 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.2 m -114.08 148.73 36.61 Favored 'General case' 0 C--O 1.262 1.716 0 N-CA-C 107.342 -1.355 . . . . 23.530000000000001 107.342 175.122 -41.994 -163.62 -90.576 102.753 2.057 106.376 -82.829 -65.369 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.603 HD11 HD11 ' B' ' 20' ' ' ILE . 8.0 mt -113.16 116.89 53.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 104.574 -2.38 . . . . 27.399999999999999 104.574 168.377 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.58 ' HD1' ' O ' ' B' ' 16' ' ' TYR . 38.9 t80 -151.59 126.07 9.46 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 115.222 -0.899 . . . . 23.48 110.145 -176.158 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 57.54 34.09 24.12 Favored 'General case' 0 C--O 1.25 1.115 0 N-CA-C 112.831 0.678 . . . . 14.539999999999999 112.831 176.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.48 9.62 85.95 Favored Glycine 0 N--CA 1.474 1.215 0 N-CA-C 115.657 1.023 . . . . 15.74 115.657 176.022 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -120.68 161.41 21.45 Favored 'General case' 0 C--O 1.267 2.006 0 CA-C-O 121.241 0.543 . . . . 14.380000000000001 110.921 173.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.743 HD11 HG21 ' A' ' 18' ' ' THR . 15.2 tp -99.42 142.71 30.55 Favored 'General case' 0 C--O 1.242 0.686 0 C-N-CA 125.873 1.669 . . . . 17.370000000000001 109.391 -179.585 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -133.57 156.43 47.84 Favored 'General case' 0 CA--C 1.511 -0.541 0 O-C-N 123.696 0.622 . . . . 17.969999999999999 109.849 -174.809 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.5 135.35 40.65 Favored 'General case' 0 C--O 1.214 -0.808 0 C-N-CA 119.792 -0.763 . . . . 15.74 110.409 166.598 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -95.94 116.44 28.93 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 107.467 -1.309 . . . . 21.57 107.467 173.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 74.8 m -124.57 126.8 46.4 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 123.825 0.85 . . . . 17.300000000000001 112.173 -163.045 -63.41 -71.993 -86.519 104.078 2.069 106.141 -48.268 -60.98 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 56.5 m . . . . . 0 CA--C 1.498 -1.023 0 CA-C-O 122.792 1.282 . . . . 20.620000000000001 111.107 -179.587 -53.937 -93.215 108.816 105.779 2.094 106.51 -92.027 -56.518 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 122.964 1.364 . . . . 21.420000000000002 112.128 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 64.4 m -110.16 168.54 9.36 Favored 'General case' 0 N--CA 1.426 -1.635 0 C-N-CA 118.885 -1.126 . . . . 21.620000000000001 108.883 174.275 -57.427 -101.73 106.379 103.235 2.041 110.783 -94.247 -51.493 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -142.78 159.22 42.65 Favored 'General case' 0 C--O 1.253 1.251 0 O-C-N 124.619 1.199 . . . . 26.870000000000001 111.313 179.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' CYS . . . . . . . . . . . . . 87.7 m -104.93 125.88 51.41 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 107.561 -1.274 . . . . 22.219999999999999 107.561 170.852 -67.024 -75.877 -93.366 108.354 2.052 103.949 -167.551 -39.101 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 83.9 mtt-85 -135.72 144.95 46.17 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 120.479 -0.488 . . . . 18.0 111.038 -176.212 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.415 HG13 ' CE3' ' B' ' 26' ' ' TRP . 96.7 mt -119.12 131.8 24.21 Favored Pre-proline 0 N--CA 1.486 1.328 0 C-N-CA 123.665 0.786 . . . . 16.059999999999999 111.017 171.134 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -94.35 -7.68 30.87 Favored 'Cis proline' 0 C--N 1.363 1.333 0 O-C-N 122.064 0.507 . . . . 19.510000000000002 111.463 1.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -146.89 163.13 37.1 Favored 'General case' 0 CA--C 1.5 -0.943 0 N-CA-C 113.176 0.806 . . . . 17.539999999999999 113.176 -174.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 76.2 m -59.75 159.11 9.22 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.291 -0.868 . . . . 17.68 110.729 169.295 -58.862 -48.427 -89.876 106.476 2.051 103.293 -79.143 -56.543 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 28.8 pt -88.01 171.0 1.17 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 C-N-CA 123.74 0.816 . . . . 20.91 111.337 169.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.45 140.66 58.02 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 121.659 -0.651 . . . . 19.239999999999998 110.168 175.352 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.94 -15.26 59.59 Favored Glycine 0 C--O 1.28 2.998 0 CA-C-O 122.136 0.853 . . . . 16.489999999999998 111.75 -177.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -111.34 153.22 26.29 Favored 'General case' 0 N--CA 1.422 -1.85 0 CA-C-N 114.064 -1.068 . . . . 18.199999999999999 111.264 -175.11 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 29.3 tpt85 -113.34 135.05 54.28 Favored 'General case' 0 C--O 1.249 1.052 0 N-CA-C 106.954 -1.498 . . . . 25.18 106.954 171.153 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -75.74 125.21 28.62 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 112.979 0.733 . . . . 20.879999999999999 112.979 170.47 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.58 ' O ' ' HD1' ' A' ' 21' ' ' TYR . 66.8 m-85 -102.58 -12.91 17.4 Favored 'General case' 0 C--O 1.274 2.363 0 N-CA-C 114.909 1.448 . . . . 20.010000000000002 114.909 179.243 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' B' ' 35' ' ' HOH . . . 163.7 -152.49 22.46 Favored Glycine 0 N--CA 1.436 -1.3 0 N-CA-C 109.284 -1.527 . . . . 14.1 109.284 -168.385 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 89.0 m -132.69 146.11 51.6 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 114.407 -0.897 . . . . 20.050000000000001 110.203 -173.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.7 m -106.64 149.71 26.94 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.078 0.466 . . . . 21.969999999999999 109.906 170.932 -39.101 -167.551 -93.366 103.949 2.052 108.354 -75.877 -67.024 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.603 HD11 HD11 ' A' ' 20' ' ' ILE . 46.4 mt -115.81 109.99 30.15 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.193 0 N-CA-C 100.254 -3.98 . . . . 24.140000000000001 100.254 172.285 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -143.94 129.03 18.64 Favored 'General case' 0 CA--C 1.559 1.326 0 CA-C-N 115.04 -0.982 . . . . 20.32 108.385 -179.059 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . 55.13 37.53 29.05 Favored 'General case' 0 N--CA 1.494 1.738 0 C-N-CA 123.074 0.55 . . . . 14.82 111.622 174.144 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.74 8.46 84.45 Favored Glycine 0 C--O 1.244 0.781 0 N-CA-C 117.529 1.771 . . . . 16.34 117.529 176.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -121.56 159.67 25.9 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-O 121.488 0.661 . . . . 17.760000000000002 111.133 176.064 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 79.2 mt -100.71 136.19 40.97 Favored 'General case' 0 C--O 1.277 2.513 0 CA-C-N 114.741 -1.118 . . . . 21.800000000000001 108.406 175.023 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' TRP . . . . . 0.415 ' CE3' HG13 ' B' ' 6' ' ' ILE . 13.4 m95 -130.59 154.41 47.89 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 125.632 1.832 . . . . 15.02 110.338 -176.996 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.36 134.52 46.76 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.859 -0.793 . . . . 14.119999999999999 108.859 167.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' PHE . . . . . 1.078 ' HD2' ' O ' ' B' ' 35' ' ' HOH . 43.5 t80 -97.28 115.17 27.16 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 107.244 -1.391 . . . . 22.370000000000001 107.244 175.02 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 61.9 m -124.12 134.23 53.4 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 124.317 1.011 . . . . 16.719999999999999 110.923 -163.81 -56.543 -79.143 -89.876 103.293 2.051 106.476 -48.427 -58.862 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 35.5 m . . . . . 0 N--CA 1.47 0.536 0 CA-C-O 116.722 -1.609 . . . . 22.239999999999998 110.714 173.944 -51.493 -94.247 106.379 110.783 2.041 103.235 -101.73 -57.427 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' PEG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' PEG . . . . . 0.404 ' H32' ' O ' ' B' ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' HOH . . . . . 1.078 ' O ' ' HD2' ' B' ' 28' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' HOH . . . . . 0.404 ' O ' ' H32' ' B' ' 31' ' ' PEG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_