data_3by5_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 3by5 _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 ' 8' ' ' VAL . . . . . . . . . . . . . 30.5 t . . . . . 0 N--CA 1.495 1.803 0 CA-C-O 121.141 0.496 . . . . 60.659999999999997 111.25 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -123.57 125.87 45.64 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.701 1.0 . . . . 52.18 113.701 -178.44 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 90.8 t -110.9 132.73 58.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 114.65 -1.159 . . . . 40.18 109.812 -173.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.39 115.19 29.83 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 120.478 0.18 . . . . 33.200000000000003 111.403 171.456 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -81.05 128.81 8.64 Favored Glycine 0 N--CA 1.462 0.432 0 N-CA-C 110.152 -1.179 . . . . 34.770000000000003 110.152 174.472 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.9 mm -114.36 127.99 71.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 112.422 0.527 . . . . 34.899999999999999 112.422 -174.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -126.05 143.51 14.46 Favored Glycine 0 C--O 1.229 -0.218 0 N-CA-C 108.782 -1.727 . . . . 49.369999999999997 108.782 170.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.3 p -153.36 161.35 42.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.601 0.239 . . . . 70.25 111.15 175.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.29 153.02 36.27 Favored 'General case' 0 C--O 1.238 0.479 0 N-CA-C 109.088 -0.708 . . . . 98.790000000000006 109.088 176.14 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -53.22 116.59 2.49 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.691 0.796 . . . . 92.700000000000003 110.64 178.12 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.45 75.58 1.31 Allowed Glycine 0 CA--C 1.512 -0.153 0 N-CA-C 110.046 -1.222 . . . . 84.120000000000005 110.046 -178.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.75 130.12 49.7 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.574 -0.898 . . . . 78.459999999999994 108.574 176.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.45 145.9 52.41 Favored 'General case' 0 N--CA 1.463 0.205 0 O-C-N 123.514 0.509 . . . . 67.209999999999994 110.325 179.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 87.0 p -58.96 -36.99 75.75 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 123.421 0.451 . . . . 63.350000000000001 111.966 -178.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.15 -24.32 64.07 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.766 1.024 . . . . 81.709999999999994 113.766 179.005 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.63 -42.51 67.51 Favored 'General case' 0 CA--C 1.521 -0.158 0 N-CA-C 110.49 -0.189 . . . . 45.600000000000001 110.49 174.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.0 mm -62.45 -45.76 98.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 115.813 -0.631 . . . . 40.149999999999999 110.396 175.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 79.8 mt -60.19 -48.38 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.314 0.646 . . . . 42.369999999999997 111.238 -179.24 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.94 -44.08 78.05 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 123.561 0.744 . . . . 38.270000000000003 112.192 175.522 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.73 -37.11 86.14 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.87 1.063 . . . . 37.82 113.87 179.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.2 t -73.2 -46.23 51.07 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.227 0 N-CA-C 110.016 -0.365 . . . . 39.079999999999998 110.016 -179.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 32.2 mtt-85 -66.93 -30.96 71.24 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 113.722 1.008 . . . . 75.810000000000002 113.722 179.122 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.5 -38.41 77.61 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 123.155 0.284 . . . . 36.549999999999997 111.158 174.232 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.2 -43.28 99.18 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 123.347 0.659 . . . . 36.939999999999998 111.609 174.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -59.1 -47.25 85.94 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.687 -0.688 . . . . 56.509999999999998 111.743 177.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.9 mtm-85 -68.12 -44.03 77.04 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 113.356 0.873 . . . . 54.350000000000001 113.356 178.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.26 -27.99 68.37 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 114.11 1.152 . . . . 42.600000000000001 114.11 -178.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -115.14 -8.93 12.36 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 114.436 1.273 . . . . 43.689999999999998 114.436 -173.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.74 38.93 49.44 Favored Glycine 0 CA--C 1.509 -0.303 0 N-CA-C 111.361 -0.695 . . . . 48.060000000000002 111.361 177.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.4 m -120.6 169.33 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.876 0.37 . . . . 47.43 110.545 179.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.2 112.11 10.82 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 107.044 -1.465 . . . . 55.850000000000001 107.044 172.389 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 69.4 t -71.63 127.97 34.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 O-C-N 123.793 0.683 . . . . 42.670000000000002 110.258 -177.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.36 4.78 12.54 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 113.532 0.938 . . . . 64.329999999999998 113.532 176.272 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -159.94 135.08 8.03 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.415 -0.357 . . . . 49.18 111.088 -179.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 43.0 mt -107.1 152.32 24.19 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.943 0.349 . . . . 35.530000000000001 111.943 177.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -147.26 152.56 38.52 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.403 0.519 . . . . 35.420000000000002 112.403 -179.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.8 t -152.13 164.4 37.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.818 -0.628 . . . . 41.670000000000002 112.556 -179.122 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.82 168.33 22.67 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 107.219 -1.401 . . . . 44.439999999999998 107.219 173.739 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -51.88 116.28 2.67 Favored 'Trans proline' 0 C--N 1.329 -0.471 0 C-N-CA 121.682 1.588 . . . . 55.82 111.788 175.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.41 154.38 26.44 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.285 0.366 . . . . 69.670000000000002 111.196 -167.574 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -103.77 -95.29 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 87.120000000000005 111.197 -146.024 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -101.85 -44.89 5.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 100.66 111.205 175.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -98.84 137.28 37.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 113.43000000000001 111.177 169.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLU . . . . . 0.537 ' OE1' ' N ' ' A' ' 51' ' ' GLU . 17.6 pm0 -142.88 -14.05 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 104.54000000000001 111.169 -171.486 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.85 -32.72 40.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 84.569999999999993 112.002 -170.537 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -61.18 -42.21 99.71 Favored Glycine 0 C--O 1.225 -0.437 0 O-C-N 123.649 0.593 . . . . 66.329999999999998 112.572 -178.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.7 tp -72.44 -38.06 68.41 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.655 0.613 . . . . 53.920000000000002 112.655 -179.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.6 -35.37 72.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.44 -0.345 . . . . 51.759999999999998 111.631 179.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -71.86 -28.5 63.59 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.756 0.65 . . . . 86.549999999999997 112.756 177.24 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.69 -37.42 59.54 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 122.896 0.479 . . . . 46.060000000000002 111.649 -179.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.8 -35.43 76.47 Favored 'General case' 0 N--CA 1.455 -0.212 0 O-C-N 123.727 0.642 . . . . 45.030000000000001 110.868 172.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -69.84 -41.23 75.18 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 123.046 0.538 . . . . 62.829999999999998 110.035 176.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.0 -38.51 92.8 Favored Glycine 0 C--O 1.227 -0.282 0 CA-C-N 115.793 -0.639 . . . . 46.020000000000003 112.805 177.349 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.8 mt -81.85 -6.91 59.49 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.058 0.392 . . . . 40.490000000000002 112.058 176.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 36.0 p 53.94 41.91 31.87 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.978 1.311 . . . . 50.640000000000001 112.992 -174.101 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 77.1 mt -116.61 153.87 31.5 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.152 -0.931 . . . . 40.100000000000001 110.078 178.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.0 m -78.98 154.04 29.85 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.044 -0.724 . . . . 41.82 109.044 174.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 40.8 tp -121.72 132.15 54.48 Favored 'General case' 0 C--O 1.218 -0.585 0 N-CA-C 110.311 -0.255 . . . . 33.979999999999997 110.311 177.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 57.1 tt0 -107.95 116.8 32.62 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.44 -0.504 . . . . 54.619999999999997 110.574 170.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 18.5 mt -90.47 99.91 10.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 106.538 -1.653 . . . . 34.420000000000002 106.538 172.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 52.7 t -79.24 126.89 39.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.144 -0.934 . . . . 36.859999999999999 110.541 -170.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.17 149.36 33.09 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.442 0.697 . . . . 45.649999999999999 112.119 178.124 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 46.8 tp60 -62.01 -33.49 74.44 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.227 0.825 . . . . 67.989999999999995 113.227 -176.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 48.4 mp0 -62.74 -38.19 89.54 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.976 0.91 . . . . 76.079999999999998 111.352 176.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -76.3 -37.46 57.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.415 -0.812 . . . . 70.799999999999997 110.219 -178.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 37.4 mt -63.14 -47.62 81.95 Favored 'General case' 0 CA--C 1.509 -0.631 0 C-N-CA 122.576 0.351 . . . . 38.859999999999999 111.085 175.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -58.91 -43.21 91.03 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 123.869 0.731 . . . . 67.370000000000005 112.393 177.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.09 -48.4 80.28 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 123.105 0.562 . . . . 40.969999999999999 112.056 177.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.9 t -62.44 -46.46 96.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 124.364 1.066 . . . . 40.079999999999998 111.658 179.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.62 -41.18 89.84 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.046 -0.524 . . . . 42.530000000000001 112.122 176.22 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.75 -47.09 82.41 Favored 'General case' 0 C--O 1.22 -0.471 0 C-N-CA 123.074 0.55 . . . . 43.130000000000003 112.009 176.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -57.34 -40.78 78.71 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.796 1.036 . . . . 75.769999999999996 113.796 177.03 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 33.2 p -75.28 -10.1 59.16 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.79 0.663 . . . . 48.310000000000002 112.79 -176.73 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' MSE . . . . . . . . . . . . . 93.5 mtp -104.89 -6.56 20.06 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.637 0.606 . . . . 71.780000000000001 112.637 178.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 76.5 p -105.08 -78.58 0.57 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.352 -0.386 . . . . 51.020000000000003 111.377 -179.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -118.1 -19.13 9.19 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 113.1 0.778 . . . . 53.119999999999997 113.1 -172.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.5 m -99.97 42.09 1.13 Allowed 'General case' 0 C--N 1.332 -0.186 0 O-C-N 123.199 0.312 . . . . 58.859999999999999 110.971 179.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -70.36 -17.56 63.05 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.844 0.683 . . . . 65.739999999999995 112.844 -176.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.54 -6.93 49.62 Favored 'General case' 0 CA--C 1.539 0.519 0 N-CA-C 113.017 0.747 . . . . 55.57 113.017 176.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.9 m -76.28 -22.65 54.81 Favored 'General case' 0 N--CA 1.462 0.149 0 N-CA-C 113.16 0.8 . . . . 61.850000000000001 113.16 178.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.58 148.55 39.45 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.92 0.711 . . . . 67.680000000000007 112.92 176.318 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -99.79 20.47 14.11 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 113.327 0.862 . . . . 76.670000000000002 113.327 -178.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -139.31 178.73 6.98 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.09 -0.505 . . . . 63.859999999999999 110.602 173.088 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 57.6 m -86.36 135.43 33.52 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 113.936 1.087 . . . . 75.060000000000002 113.936 -172.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 81.98 -124.02 6.31 Favored Glycine 0 C--N 1.332 0.343 0 N-CA-C 116.26 1.264 . . . . 62.049999999999997 116.26 168.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 44.2 t -84.98 137.68 37.53 Favored Pre-proline 0 N--CA 1.462 0.163 0 C-N-CA 123.919 0.888 . . . . 48.649999999999999 112.633 -172.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -74.65 156.19 44.59 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 O-C-N 122.914 0.955 . . . . 39.829999999999998 111.289 173.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 48.5 p -75.96 167.11 22.48 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.613 -0.514 . . . . 42.640000000000001 109.613 172.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.8 t -57.29 -44.62 84.25 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 115.623 -0.717 . . . . 39.329999999999998 112.058 -177.259 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.3 m -67.21 -35.87 80.52 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 112.714 0.635 . . . . 51.219999999999999 112.714 176.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -67.06 -45.78 76.34 Favored 'General case' 0 CA--C 1.521 -0.169 0 O-C-N 123.548 0.53 . . . . 45.009999999999998 109.961 179.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.37 -28.78 68.91 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.537 0.94 . . . . 33.710000000000001 113.537 177.864 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.15 -44.81 62.53 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 122.994 0.518 . . . . 34.68 112.255 175.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.94 -39.75 94.87 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 123.416 0.687 . . . . 34.899999999999999 111.808 176.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 48.5 mt -72.34 -34.32 67.95 Favored 'General case' 0 CA--C 1.514 -0.415 0 O-C-N 123.522 0.514 . . . . 37.920000000000002 111.927 -179.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.14 -44.17 80.52 Favored 'General case' 0 CA--C 1.518 -0.283 0 O-C-N 123.304 0.377 . . . . 35.020000000000003 111.613 178.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.12 -32.27 68.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.976 -0.556 . . . . 41.990000000000002 111.856 179.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.74 -42.68 73.6 Favored 'General case' 0 C--O 1.185 -2.325 0 O-C-N 123.905 0.753 . . . . 45.840000000000003 112.219 176.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 99.82 -155.44 19.68 Favored Glycine 0 C--O 1.19 -2.613 0 N-CA-C 109.304 -1.518 . . . . 54.090000000000003 109.304 169.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -93.84 160.73 14.61 Favored 'General case' 0 CA--C 1.473 -2.012 0 N-CA-C 104.647 -2.353 . . . . 59.350000000000001 104.647 -169.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -71.97 94.85 0.62 Allowed Glycine 0 C--O 1.197 -2.167 0 CA-C-O 121.961 0.756 . . . . 57.240000000000002 114.215 -68.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -72.33 165.64 24.09 Favored 'General case' 0 N--CA 1.419 -1.975 0 O-C-N 122.104 -0.644 . . . . 49.869999999999997 109.922 168.183 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.71 156.09 44.97 Favored 'General case' 0 C--N 1.311 -1.104 0 C-N-CA 124.574 1.149 . . . . 82.200000000000003 109.511 172.051 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 78.3 mt -82.1 130.4 35.08 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 108.848 -0.797 . . . . 44.259999999999998 108.848 174.174 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 35.2 m -109.02 -12.36 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 N-CA-C 114.23 1.196 . . . . 53.890000000000001 114.23 -173.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -134.12 154.14 79.98 Favored Pre-proline 0 N--CA 1.452 -0.345 0 N-CA-C 108.324 -0.991 . . . . 49.049999999999997 108.324 -177.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -70.95 158.82 54.36 Favored 'Trans proline' 0 C--N 1.351 0.705 0 O-C-N 122.769 0.879 . . . . 47.649999999999999 112.1 174.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.17 126.3 24.21 Favored 'General case' 0 C--N 1.332 -0.187 0 O-C-N 124.158 0.912 . . . . 75.079999999999998 110.515 179.483 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 11.6 tp -118.39 130.29 55.9 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.268 -0.878 . . . . 42.950000000000003 110.626 -175.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 14.0 t -117.82 126.67 74.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 108.21 -1.033 . . . . 32.840000000000003 108.21 170.425 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 21.6 t -123.27 106.2 16.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 N-CA-C 108.417 -0.957 . . . . 40.409999999999997 108.417 176.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 73.76 -126.2 9.62 Favored Glycine 0 N--CA 1.462 0.425 0 N-CA-C 105.917 -2.873 . . . . 48.030000000000001 105.917 -165.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.44 43.8 2.63 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.886 0.85 . . . . 72.359999999999999 112.014 168.435 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 52.1 t -116.48 121.17 67.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 107.354 -1.351 . . . . 37.869999999999997 107.354 170.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.9 m -90.26 134.57 34.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 42.310000000000002 110.531 177.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 21.0 t -127.48 121.46 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 N-CA-C 109.341 -0.614 . . . . 34.920000000000002 109.341 179.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -113.79 127.61 56.08 Favored 'General case' 0 C--O 1.221 -0.416 0 O-C-N 123.711 0.632 . . . . 35.700000000000003 109.638 173.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 3.6 mp -106.1 124.9 61.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.378 -0.529 . . . . 40.57 111.858 179.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -118.31 147.07 43.84 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.648 -0.705 . . . . 40.479999999999997 111.069 173.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' MSE . . . . . . . . . . . . . 1.1 mtt -122.27 144.75 48.8 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 116.26 -0.427 . . . . 76.25 110.066 171.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 6.5 t -99.67 172.15 7.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.372 -0.376 . . . . 72.359999999999999 111.716 -176.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 35.9 m -50.11 -43.8 51.8 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 115.05 1.5 . . . . 90.819999999999993 115.05 -177.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 . . . . . 0 N--CA 1.467 0.412 0 CA-C-O 121.028 0.442 . . . . 107.37 111.941 176.485 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.5 t . . . . . 0 N--CA 1.495 1.803 0 CA-C-O 121.141 0.496 . . . . 60.66 111.25 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 9' ' ' THR . . . . . 0.57 ' HB ' ' HG3' ' A' ' 127' ' ' MSE . 0.5 OUTLIER -123.57 125.87 45.64 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.701 1.0 . . . . 52.18 113.701 -178.44 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 90.8 t -110.9 132.73 58.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 114.65 -1.159 . . . . 40.18 109.812 -173.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.39 115.19 29.83 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 120.478 0.18 . . . . 33.2 111.403 171.456 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -81.05 128.81 8.64 Favored Glycine 0 N--CA 1.462 0.432 0 N-CA-C 110.152 -1.179 . . . . 34.77 110.152 174.472 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.9 mm -114.36 127.99 71.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 112.422 0.527 . . . . 34.9 112.422 -174.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -126.05 143.51 14.46 Favored Glycine 0 C--O 1.229 -0.218 0 N-CA-C 108.782 -1.727 . . . . 49.37 108.782 170.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.3 p -153.36 161.35 42.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.601 0.239 . . . . 70.25 111.15 175.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ARG . . . . . 0.475 HH21 ' H ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -76.29 153.02 36.27 Favored 'General case' 0 C--O 1.238 0.479 0 N-CA-C 109.088 -0.708 . . . . 98.79 109.088 176.14 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LYS . . . . . 0.475 ' H ' HH21 ' A' ' 16' ' ' ARG . 86.7 mttt -53.22 116.59 2.49 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.691 0.796 . . . . 92.7 110.64 178.12 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.45 75.58 1.31 Allowed Glycine 0 CA--C 1.512 -0.153 0 N-CA-C 110.046 -1.222 . . . . 84.12 110.046 -178.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.75 130.12 49.7 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.574 -0.898 . . . . 78.46 108.574 176.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.45 145.9 52.41 Favored 'General case' 0 N--CA 1.463 0.205 0 O-C-N 123.514 0.509 . . . . 67.21 110.325 179.268 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 87.0 p -58.96 -36.99 75.75 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 123.421 0.451 . . . . 63.35 111.966 -178.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.15 -24.32 64.07 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.766 1.024 . . . . 81.71 113.766 179.005 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.63 -42.51 67.51 Favored 'General case' 0 CA--C 1.521 -0.158 0 N-CA-C 110.49 -0.189 . . . . 45.6 110.49 174.315 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.0 mm -62.45 -45.76 98.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 115.813 -0.631 . . . . 40.15 110.396 175.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 79.8 mt -60.19 -48.38 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.314 0.646 . . . . 42.37 111.238 -179.24 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.94 -44.08 78.05 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 123.561 0.744 . . . . 38.27 112.192 175.522 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.73 -37.11 86.14 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.87 1.063 . . . . 37.82 113.87 179.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.2 t -73.2 -46.23 51.07 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.227 0 N-CA-C 110.016 -0.365 . . . . 39.08 110.016 -179.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 32.2 mtt-85 -66.93 -30.96 71.24 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 113.722 1.008 . . . . 75.81 113.722 179.122 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.5 -38.41 77.61 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 123.155 0.284 . . . . 36.55 111.158 174.232 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ALA . . . . . 0.438 ' HB1' HD11 ' A' ' 125' ' ' ILE . . . -62.2 -43.28 99.18 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 123.347 0.659 . . . . 36.94 111.609 174.719 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -59.1 -47.25 85.94 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.687 -0.688 . . . . 56.51 111.743 177.659 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.9 mtm-85 -68.12 -44.03 77.04 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 113.356 0.873 . . . . 54.35 113.356 178.49 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.26 -27.99 68.37 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 114.11 1.152 . . . . 42.6 114.11 -178.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -115.14 -8.93 12.36 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 114.436 1.273 . . . . 43.69 114.436 -173.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.74 38.93 49.44 Favored Glycine 0 CA--C 1.509 -0.303 0 N-CA-C 111.361 -0.695 . . . . 48.06 111.361 177.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.4 m -120.6 169.33 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.876 0.37 . . . . 47.43 110.545 179.41 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.2 112.11 10.82 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 107.044 -1.465 . . . . 55.85 107.044 172.389 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 69.4 t -71.63 127.97 34.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 O-C-N 123.793 0.683 . . . . 42.67 110.258 -177.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.36 4.78 12.54 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 113.532 0.938 . . . . 64.33 113.532 176.272 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -159.94 135.08 8.03 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.415 -0.357 . . . . 49.18 111.088 -179.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 43.0 mt -107.1 152.32 24.19 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.943 0.349 . . . . 35.53 111.943 177.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -147.26 152.56 38.52 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.403 0.519 . . . . 35.42 112.403 -179.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.8 t -152.13 164.4 37.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.818 -0.628 . . . . 41.67 112.556 -179.122 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.82 168.33 22.67 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 107.219 -1.401 . . . . 44.44 107.219 173.739 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -51.88 116.28 2.67 Favored 'Trans proline' 0 C--N 1.329 -0.471 0 C-N-CA 121.682 1.588 . . . . 55.82 111.788 175.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' LEU . . . . . 0.442 HD22 ' HB2' ' A' ' 51' ' ' GLU . 0.3 OUTLIER -81.41 154.38 26.44 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.285 0.366 . . . . 69.67 111.196 -167.574 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -103.77 -95.29 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 87.12 111.197 -146.024 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -101.85 -44.89 5.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 100.66 111.205 175.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -98.84 137.28 37.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 113.43 111.177 169.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLU . . . . . 0.537 ' N ' ' OE1' ' A' ' 51' ' ' GLU . 17.6 pm0 -142.88 -14.05 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 104.54 111.169 -171.486 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.85 -32.72 40.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 84.57 112.002 -170.537 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -61.18 -42.21 99.71 Favored Glycine 0 C--O 1.225 -0.437 0 O-C-N 123.649 0.593 . . . . 66.33 112.572 -178.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.7 tp -72.44 -38.06 68.41 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.655 0.613 . . . . 53.92 112.655 -179.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.6 -35.37 72.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.44 -0.345 . . . . 51.76 111.631 179.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -71.86 -28.5 63.59 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.756 0.65 . . . . 86.55 112.756 177.24 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.69 -37.42 59.54 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 122.896 0.479 . . . . 46.06 111.649 -179.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.8 -35.43 76.47 Favored 'General case' 0 N--CA 1.455 -0.212 0 O-C-N 123.727 0.642 . . . . 45.03 110.868 172.216 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -69.84 -41.23 75.18 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 123.046 0.538 . . . . 62.83 110.035 176.947 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.0 -38.51 92.8 Favored Glycine 0 C--O 1.227 -0.282 0 CA-C-N 115.793 -0.639 . . . . 46.02 112.805 177.349 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.8 mt -81.85 -6.91 59.49 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.058 0.392 . . . . 40.49 112.058 176.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 36.0 p 53.94 41.91 31.87 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.978 1.311 . . . . 50.64 112.992 -174.101 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 77.1 mt -116.61 153.87 31.5 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.152 -0.931 . . . . 40.1 110.078 178.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.0 m -78.98 154.04 29.85 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.044 -0.724 . . . . 41.82 109.044 174.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 40.8 tp -121.72 132.15 54.48 Favored 'General case' 0 C--O 1.218 -0.585 0 N-CA-C 110.311 -0.255 . . . . 33.98 110.311 177.14 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 57.1 tt0 -107.95 116.8 32.62 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.44 -0.504 . . . . 54.62 110.574 170.236 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 18.5 mt -90.47 99.91 10.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 106.538 -1.653 . . . . 34.42 106.538 172.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 52.7 t -79.24 126.89 39.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.144 -0.934 . . . . 36.86 110.541 -170.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.17 149.36 33.09 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.442 0.697 . . . . 45.65 112.119 178.124 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 46.8 tp60 -62.01 -33.49 74.44 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.227 0.825 . . . . 67.99 113.227 -176.888 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 48.4 mp0 -62.74 -38.19 89.54 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.976 0.91 . . . . 76.08 111.352 176.253 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -76.3 -37.46 57.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.415 -0.812 . . . . 70.8 110.219 -178.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 37.4 mt -63.14 -47.62 81.95 Favored 'General case' 0 CA--C 1.509 -0.631 0 C-N-CA 122.576 0.351 . . . . 38.86 111.085 175.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -58.91 -43.21 91.03 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 123.869 0.731 . . . . 67.37 112.393 177.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.09 -48.4 80.28 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 123.105 0.562 . . . . 40.97 112.056 177.775 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.9 t -62.44 -46.46 96.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 124.364 1.066 . . . . 40.08 111.658 179.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.62 -41.18 89.84 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.046 -0.524 . . . . 42.53 112.122 176.22 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.75 -47.09 82.41 Favored 'General case' 0 C--O 1.22 -0.471 0 C-N-CA 123.074 0.55 . . . . 43.13 112.009 176.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -57.34 -40.78 78.71 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.796 1.036 . . . . 75.77 113.796 177.03 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 33.2 p -75.28 -10.1 59.16 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.79 0.663 . . . . 48.31 112.79 -176.73 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' MSE . . . . . . . . . . . . . 93.5 mtp -104.89 -6.56 20.06 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.637 0.606 . . . . 71.78 112.637 178.142 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 76.5 p -105.08 -78.58 0.57 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.352 -0.386 . . . . 51.02 111.377 -179.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -118.1 -19.13 9.19 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 113.1 0.778 . . . . 53.12 113.1 -172.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.5 m -99.97 42.09 1.13 Allowed 'General case' 0 C--N 1.332 -0.186 0 O-C-N 123.199 0.312 . . . . 58.86 110.971 179.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -70.36 -17.56 63.05 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.844 0.683 . . . . 65.74 112.844 -176.461 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.54 -6.93 49.62 Favored 'General case' 0 CA--C 1.539 0.519 0 N-CA-C 113.017 0.747 . . . . 55.57 113.017 176.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.9 m -76.28 -22.65 54.81 Favored 'General case' 0 N--CA 1.462 0.149 0 N-CA-C 113.16 0.8 . . . . 61.85 113.16 178.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.58 148.55 39.45 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.92 0.711 . . . . 67.68 112.92 176.318 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -99.79 20.47 14.11 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 113.327 0.862 . . . . 76.67 113.327 -178.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -139.31 178.73 6.98 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.09 -0.505 . . . . 63.86 110.602 173.088 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 57.6 m -86.36 135.43 33.52 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 113.936 1.087 . . . . 75.06 113.936 -172.836 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 81.98 -124.02 6.31 Favored Glycine 0 C--N 1.332 0.343 0 N-CA-C 116.26 1.264 . . . . 62.05 116.26 168.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 44.2 t -84.98 137.68 37.53 Favored Pre-proline 0 N--CA 1.462 0.163 0 C-N-CA 123.919 0.888 . . . . 48.65 112.633 -172.91 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -74.65 156.19 44.59 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 O-C-N 122.914 0.955 . . . . 39.83 111.289 173.931 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 48.5 p -75.96 167.11 22.48 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.613 -0.514 . . . . 42.64 109.613 172.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.8 t -57.29 -44.62 84.25 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 115.623 -0.717 . . . . 39.33 112.058 -177.259 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.3 m -67.21 -35.87 80.52 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 112.714 0.635 . . . . 51.22 112.714 176.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -67.06 -45.78 76.34 Favored 'General case' 0 CA--C 1.521 -0.169 0 O-C-N 123.548 0.53 . . . . 45.01 109.961 179.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.37 -28.78 68.91 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.537 0.94 . . . . 33.71 113.537 177.864 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.15 -44.81 62.53 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 122.994 0.518 . . . . 34.68 112.255 175.774 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.94 -39.75 94.87 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 123.416 0.687 . . . . 34.9 111.808 176.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 48.5 mt -72.34 -34.32 67.95 Favored 'General case' 0 CA--C 1.514 -0.415 0 O-C-N 123.522 0.514 . . . . 37.92 111.927 -179.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.14 -44.17 80.52 Favored 'General case' 0 CA--C 1.518 -0.283 0 O-C-N 123.304 0.377 . . . . 35.02 111.613 178.015 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.12 -32.27 68.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.976 -0.556 . . . . 41.99 111.856 179.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.74 -42.68 73.6 Favored 'General case' 0 C--O 1.185 -2.325 0 O-C-N 123.905 0.753 . . . . 45.84 112.219 176.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 99.82 -155.44 19.68 Favored Glycine 0 C--O 1.19 -2.613 0 N-CA-C 109.304 -1.518 . . . . 54.09 109.304 169.646 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -93.84 160.73 14.61 Favored 'General case' 0 CA--C 1.473 -2.012 0 N-CA-C 104.647 -2.353 . . . . 59.35 104.647 -169.97 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -71.97 94.85 0.62 Allowed Glycine 0 C--O 1.197 -2.167 0 CA-C-O 121.961 0.756 . . . . 57.24 114.215 -68.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -72.33 165.64 24.09 Favored 'General case' 0 N--CA 1.419 -1.975 0 O-C-N 122.104 -0.644 . . . . 49.87 109.922 168.183 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.71 156.09 44.97 Favored 'General case' 0 C--N 1.311 -1.104 0 C-N-CA 124.574 1.149 . . . . 82.2 109.511 172.051 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 78.3 mt -82.1 130.4 35.08 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 108.848 -0.797 . . . . 44.26 108.848 174.174 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 35.2 m -109.02 -12.36 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 N-CA-C 114.23 1.196 . . . . 53.89 114.23 -173.403 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -134.12 154.14 79.98 Favored Pre-proline 0 N--CA 1.452 -0.345 0 N-CA-C 108.324 -0.991 . . . . 49.05 108.324 -177.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -70.95 158.82 54.36 Favored 'Trans proline' 0 C--N 1.351 0.705 0 O-C-N 122.769 0.879 . . . . 47.65 112.1 174.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.17 126.3 24.21 Favored 'General case' 0 C--N 1.332 -0.187 0 O-C-N 124.158 0.912 . . . . 75.08 110.515 179.483 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 11.6 tp -118.39 130.29 55.9 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.268 -0.878 . . . . 42.95 110.626 -175.308 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 14.0 t -117.82 126.67 74.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 108.21 -1.033 . . . . 32.84 108.21 170.425 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 21.6 t -123.27 106.2 16.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 N-CA-C 108.417 -0.957 . . . . 40.41 108.417 176.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 73.76 -126.2 9.62 Favored Glycine 0 N--CA 1.462 0.425 0 N-CA-C 105.917 -2.873 . . . . 48.03 105.917 -165.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.44 43.8 2.63 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.886 0.85 . . . . 72.36 112.014 168.435 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 52.1 t -116.48 121.17 67.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 107.354 -1.351 . . . . 37.87 107.354 170.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.9 m -90.26 134.57 34.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 42.31 110.531 177.375 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 21.0 t -127.48 121.46 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 N-CA-C 109.341 -0.614 . . . . 34.92 109.341 179.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -113.79 127.61 56.08 Favored 'General case' 0 C--O 1.221 -0.416 0 O-C-N 123.711 0.632 . . . . 35.7 109.638 173.685 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' ILE . . . . . 0.438 HD11 ' HB1' ' A' ' 31' ' ' ALA . 3.6 mp -106.1 124.9 61.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.378 -0.529 . . . . 40.57 111.858 179.786 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -118.31 147.07 43.84 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.648 -0.705 . . . . 40.48 111.069 173.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' MSE . . . . . 0.57 ' HG3' ' HB ' ' A' ' 9' ' ' THR . 1.1 mtt -122.27 144.75 48.8 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 116.26 -0.427 . . . . 76.25 110.066 171.672 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 6.5 t -99.67 172.15 7.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.372 -0.376 . . . . 72.36 111.716 -176.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 35.9 m -50.11 -43.8 51.8 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 115.05 1.5 . . . . 90.82 115.05 -177.673 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 . . . . . 0 N--CA 1.467 0.412 0 CA-C-O 121.028 0.442 . . . . 107.37 111.941 176.485 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.5 t . . . . . 0 N--CA 1.495 1.803 0 CA-C-O 121.141 0.496 . . . . 60.66 111.25 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' THR . . . . . 0.57 ' HB ' ' HG3' ' A' ' 127' ' ' MSE . 0.5 OUTLIER -123.57 125.87 45.64 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.701 1.0 . . . . 52.18 113.701 -178.44 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 90.8 t -110.9 132.73 58.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 114.65 -1.159 . . . . 40.18 109.812 -173.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.39 115.19 29.83 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 120.478 0.18 . . . . 33.2 111.403 171.456 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -81.05 128.81 8.64 Favored Glycine 0 N--CA 1.462 0.432 0 N-CA-C 110.152 -1.179 . . . . 34.77 110.152 174.472 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.9 mm -114.36 127.99 71.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 112.422 0.527 . . . . 34.9 112.422 -174.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -126.05 143.51 14.46 Favored Glycine 0 C--O 1.229 -0.218 0 N-CA-C 108.782 -1.727 . . . . 49.37 108.782 170.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.3 p -153.36 161.35 42.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.601 0.239 . . . . 70.25 111.15 175.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.475 HH21 ' H ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -76.29 153.02 36.27 Favored 'General case' 0 C--O 1.238 0.479 0 N-CA-C 109.088 -0.708 . . . . 98.79 109.088 176.14 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.475 ' H ' HH21 ' A' ' 16' ' ' ARG . 86.7 mttt -53.22 116.59 2.49 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.691 0.796 . . . . 92.7 110.64 178.12 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.45 75.58 1.31 Allowed Glycine 0 CA--C 1.512 -0.153 0 N-CA-C 110.046 -1.222 . . . . 84.12 110.046 -178.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.75 130.12 49.7 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.574 -0.898 . . . . 78.46 108.574 176.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.45 145.9 52.41 Favored 'General case' 0 N--CA 1.463 0.205 0 O-C-N 123.514 0.509 . . . . 67.21 110.325 179.268 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 87.0 p -58.96 -36.99 75.75 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 123.421 0.451 . . . . 63.35 111.966 -178.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.15 -24.32 64.07 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.766 1.024 . . . . 81.71 113.766 179.005 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.63 -42.51 67.51 Favored 'General case' 0 CA--C 1.521 -0.158 0 N-CA-C 110.49 -0.189 . . . . 45.6 110.49 174.315 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.0 mm -62.45 -45.76 98.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 115.813 -0.631 . . . . 40.15 110.396 175.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 79.8 mt -60.19 -48.38 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.314 0.646 . . . . 42.37 111.238 -179.24 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.94 -44.08 78.05 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 123.561 0.744 . . . . 38.27 112.192 175.522 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.73 -37.11 86.14 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.87 1.063 . . . . 37.82 113.87 179.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.2 t -73.2 -46.23 51.07 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.227 0 N-CA-C 110.016 -0.365 . . . . 39.08 110.016 -179.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 32.2 mtt-85 -66.93 -30.96 71.24 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 113.722 1.008 . . . . 75.81 113.722 179.122 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.5 -38.41 77.61 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 123.155 0.284 . . . . 36.55 111.158 174.232 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.438 ' HB1' HD11 ' A' ' 125' ' ' ILE . . . -62.2 -43.28 99.18 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 123.347 0.659 . . . . 36.94 111.609 174.719 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -59.1 -47.25 85.94 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.687 -0.688 . . . . 56.51 111.743 177.659 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.9 mtm-85 -68.12 -44.03 77.04 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 113.356 0.873 . . . . 54.35 113.356 178.49 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.26 -27.99 68.37 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 114.11 1.152 . . . . 42.6 114.11 -178.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -115.14 -8.93 12.36 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 114.436 1.273 . . . . 43.69 114.436 -173.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.74 38.93 49.44 Favored Glycine 0 CA--C 1.509 -0.303 0 N-CA-C 111.361 -0.695 . . . . 48.06 111.361 177.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.4 m -120.6 169.33 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.876 0.37 . . . . 47.43 110.545 179.41 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.2 112.11 10.82 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 107.044 -1.465 . . . . 55.85 107.044 172.389 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 69.4 t -71.63 127.97 34.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 O-C-N 123.793 0.683 . . . . 42.67 110.258 -177.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.36 4.78 12.54 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 113.532 0.938 . . . . 64.33 113.532 176.272 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -159.94 135.08 8.03 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.415 -0.357 . . . . 49.18 111.088 -179.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 43.0 mt -107.1 152.32 24.19 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.943 0.349 . . . . 35.53 111.943 177.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -147.26 152.56 38.52 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.403 0.519 . . . . 35.42 112.403 -179.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.8 t -152.13 164.4 37.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.818 -0.628 . . . . 41.67 112.556 -179.122 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.82 168.33 22.67 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 107.219 -1.401 . . . . 44.44 107.219 173.739 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -51.88 116.28 2.67 Favored 'Trans proline' 0 C--N 1.329 -0.471 0 C-N-CA 121.682 1.588 . . . . 55.82 111.788 175.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.442 HD22 ' HB2' ' A' ' 51' ' ' GLU . 0.3 OUTLIER -81.41 154.38 26.44 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.285 0.366 . . . . 69.67 111.196 -167.574 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -103.77 -95.29 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 87.12 111.197 -146.024 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -101.85 -44.89 5.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 100.66 111.205 175.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -98.84 137.28 37.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 113.43 111.177 169.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.537 ' N ' ' OE1' ' A' ' 51' ' ' GLU . 17.6 pm0 -142.88 -14.05 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 104.54 111.169 -171.486 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.85 -32.72 40.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 84.57 112.002 -170.537 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -61.18 -42.21 99.71 Favored Glycine 0 C--O 1.225 -0.437 0 O-C-N 123.649 0.593 . . . . 66.33 112.572 -178.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.7 tp -72.44 -38.06 68.41 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.655 0.613 . . . . 53.92 112.655 -179.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.6 -35.37 72.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.44 -0.345 . . . . 51.76 111.631 179.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -71.86 -28.5 63.59 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.756 0.65 . . . . 86.55 112.756 177.24 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.69 -37.42 59.54 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 122.896 0.479 . . . . 46.06 111.649 -179.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.8 -35.43 76.47 Favored 'General case' 0 N--CA 1.455 -0.212 0 O-C-N 123.727 0.642 . . . . 45.03 110.868 172.216 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -69.84 -41.23 75.18 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 123.046 0.538 . . . . 62.83 110.035 176.947 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.0 -38.51 92.8 Favored Glycine 0 C--O 1.227 -0.282 0 CA-C-N 115.793 -0.639 . . . . 46.02 112.805 177.349 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.8 mt -81.85 -6.91 59.49 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.058 0.392 . . . . 40.49 112.058 176.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 36.0 p 53.94 41.91 31.87 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.978 1.311 . . . . 50.64 112.992 -174.101 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 77.1 mt -116.61 153.87 31.5 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.152 -0.931 . . . . 40.1 110.078 178.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.0 m -78.98 154.04 29.85 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.044 -0.724 . . . . 41.82 109.044 174.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 40.8 tp -121.72 132.15 54.48 Favored 'General case' 0 C--O 1.218 -0.585 0 N-CA-C 110.311 -0.255 . . . . 33.98 110.311 177.14 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 57.1 tt0 -107.95 116.8 32.62 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.44 -0.504 . . . . 54.62 110.574 170.236 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 18.5 mt -90.47 99.91 10.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 106.538 -1.653 . . . . 34.42 106.538 172.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 52.7 t -79.24 126.89 39.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.144 -0.934 . . . . 36.86 110.541 -170.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.17 149.36 33.09 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.442 0.697 . . . . 45.65 112.119 178.124 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 46.8 tp60 -62.01 -33.49 74.44 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.227 0.825 . . . . 67.99 113.227 -176.888 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 48.4 mp0 -62.74 -38.19 89.54 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.976 0.91 . . . . 76.08 111.352 176.253 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -76.3 -37.46 57.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.415 -0.812 . . . . 70.8 110.219 -178.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 37.4 mt -63.14 -47.62 81.95 Favored 'General case' 0 CA--C 1.509 -0.631 0 C-N-CA 122.576 0.351 . . . . 38.86 111.085 175.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -58.91 -43.21 91.03 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 123.869 0.731 . . . . 67.37 112.393 177.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.09 -48.4 80.28 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 123.105 0.562 . . . . 40.97 112.056 177.775 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.9 t -62.44 -46.46 96.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 124.364 1.066 . . . . 40.08 111.658 179.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.62 -41.18 89.84 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.046 -0.524 . . . . 42.53 112.122 176.22 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.75 -47.09 82.41 Favored 'General case' 0 C--O 1.22 -0.471 0 C-N-CA 123.074 0.55 . . . . 43.13 112.009 176.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -57.34 -40.78 78.71 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.796 1.036 . . . . 75.77 113.796 177.03 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 33.2 p -75.28 -10.1 59.16 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.79 0.663 . . . . 48.31 112.79 -176.73 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' MSE . . . . . . . . . . . . . 93.5 mtp -104.89 -6.56 20.06 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.637 0.606 . . . . 71.78 112.637 178.142 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 76.5 p -105.08 -78.58 0.57 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.352 -0.386 . . . . 51.02 111.377 -179.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -118.1 -19.13 9.19 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 113.1 0.778 . . . . 53.12 113.1 -172.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.5 m -99.97 42.09 1.13 Allowed 'General case' 0 C--N 1.332 -0.186 0 O-C-N 123.199 0.312 . . . . 58.86 110.971 179.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -70.36 -17.56 63.05 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.844 0.683 . . . . 65.74 112.844 -176.461 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.54 -6.93 49.62 Favored 'General case' 0 CA--C 1.539 0.519 0 N-CA-C 113.017 0.747 . . . . 55.57 113.017 176.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.9 m -76.28 -22.65 54.81 Favored 'General case' 0 N--CA 1.462 0.149 0 N-CA-C 113.16 0.8 . . . . 61.85 113.16 178.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.58 148.55 39.45 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.92 0.711 . . . . 67.68 112.92 176.318 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -99.79 20.47 14.11 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 113.327 0.862 . . . . 76.67 113.327 -178.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -139.31 178.73 6.98 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.09 -0.505 . . . . 63.86 110.602 173.088 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 57.6 m -86.36 135.43 33.52 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 113.936 1.087 . . . . 75.06 113.936 -172.836 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 81.98 -124.02 6.31 Favored Glycine 0 C--N 1.332 0.343 0 N-CA-C 116.26 1.264 . . . . 62.05 116.26 168.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 44.2 t -84.98 137.68 37.53 Favored Pre-proline 0 N--CA 1.462 0.163 0 C-N-CA 123.919 0.888 . . . . 48.65 112.633 -172.91 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -74.65 156.19 44.59 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 O-C-N 122.914 0.955 . . . . 39.83 111.289 173.931 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 48.5 p -75.96 167.11 22.48 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.613 -0.514 . . . . 42.64 109.613 172.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.8 t -57.29 -44.62 84.25 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 115.623 -0.717 . . . . 39.33 112.058 -177.259 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.3 m -67.21 -35.87 80.52 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 112.714 0.635 . . . . 51.22 112.714 176.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -67.06 -45.78 76.34 Favored 'General case' 0 CA--C 1.521 -0.169 0 O-C-N 123.548 0.53 . . . . 45.01 109.961 179.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.37 -28.78 68.91 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.537 0.94 . . . . 33.71 113.537 177.864 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.15 -44.81 62.53 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 122.994 0.518 . . . . 34.68 112.255 175.774 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.94 -39.75 94.87 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 123.416 0.687 . . . . 34.9 111.808 176.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 48.5 mt -72.34 -34.32 67.95 Favored 'General case' 0 CA--C 1.514 -0.415 0 O-C-N 123.522 0.514 . . . . 37.92 111.927 -179.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.14 -44.17 80.52 Favored 'General case' 0 CA--C 1.518 -0.283 0 O-C-N 123.304 0.377 . . . . 35.02 111.613 178.015 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.12 -32.27 68.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.976 -0.556 . . . . 41.99 111.856 179.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.74 -42.68 73.6 Favored 'General case' 0 C--O 1.185 -2.325 0 O-C-N 123.905 0.753 . . . . 45.84 112.219 176.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 99.82 -155.44 19.68 Favored Glycine 0 C--O 1.19 -2.613 0 N-CA-C 109.304 -1.518 . . . . 54.09 109.304 169.646 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -93.84 160.73 14.61 Favored 'General case' 0 CA--C 1.473 -2.012 0 N-CA-C 104.647 -2.353 . . . . 59.35 104.647 -169.97 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -71.97 94.85 0.62 Allowed Glycine 0 C--O 1.197 -2.167 0 CA-C-O 121.961 0.756 . . . . 57.24 114.215 -68.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -72.33 165.64 24.09 Favored 'General case' 0 N--CA 1.419 -1.975 0 O-C-N 122.104 -0.644 . . . . 49.87 109.922 168.183 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.71 156.09 44.97 Favored 'General case' 0 C--N 1.311 -1.104 0 C-N-CA 124.574 1.149 . . . . 82.2 109.511 172.051 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 78.3 mt -82.1 130.4 35.08 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 108.848 -0.797 . . . . 44.26 108.848 174.174 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 35.2 m -109.02 -12.36 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 N-CA-C 114.23 1.196 . . . . 53.89 114.23 -173.403 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -134.12 154.14 79.98 Favored Pre-proline 0 N--CA 1.452 -0.345 0 N-CA-C 108.324 -0.991 . . . . 49.05 108.324 -177.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -70.95 158.82 54.36 Favored 'Trans proline' 0 C--N 1.351 0.705 0 O-C-N 122.769 0.879 . . . . 47.65 112.1 174.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.17 126.3 24.21 Favored 'General case' 0 C--N 1.332 -0.187 0 O-C-N 124.158 0.912 . . . . 75.08 110.515 179.483 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 11.6 tp -118.39 130.29 55.9 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.268 -0.878 . . . . 42.95 110.626 -175.308 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 14.0 t -117.82 126.67 74.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 108.21 -1.033 . . . . 32.84 108.21 170.425 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 21.6 t -123.27 106.2 16.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 N-CA-C 108.417 -0.957 . . . . 40.41 108.417 176.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 73.76 -126.2 9.62 Favored Glycine 0 N--CA 1.462 0.425 0 N-CA-C 105.917 -2.873 . . . . 48.03 105.917 -165.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.44 43.8 2.63 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.886 0.85 . . . . 72.36 112.014 168.435 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 52.1 t -116.48 121.17 67.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 107.354 -1.351 . . . . 37.87 107.354 170.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.9 m -90.26 134.57 34.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 42.31 110.531 177.375 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 21.0 t -127.48 121.46 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 N-CA-C 109.341 -0.614 . . . . 34.92 109.341 179.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -113.79 127.61 56.08 Favored 'General case' 0 C--O 1.221 -0.416 0 O-C-N 123.711 0.632 . . . . 35.7 109.638 173.685 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.438 HD11 ' HB1' ' A' ' 31' ' ' ALA . 3.6 mp -106.1 124.9 61.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.378 -0.529 . . . . 40.57 111.858 179.786 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -118.31 147.07 43.84 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.648 -0.705 . . . . 40.48 111.069 173.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' MSE . . . . . 0.57 ' HG3' ' HB ' ' A' ' 9' ' ' THR . 1.1 mtt -122.27 144.75 48.8 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 116.26 -0.427 . . . . 76.25 110.066 171.672 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 6.5 t -99.67 172.15 7.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.372 -0.376 . . . . 72.36 111.716 -176.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 35.9 m -50.11 -43.8 51.8 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 115.05 1.5 . . . . 90.82 115.05 -177.673 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 . . . . . 0 N--CA 1.467 0.412 0 CA-C-O 121.028 0.442 . . . . 107.37 111.941 176.485 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_