data_6lw3_residue ############################ # Computer software used # ############################ 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 6lw3 _Structure_validation_residue.Date_analyzed 2020-02-21 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' ' ' MET . . . . . 0.507 ' N ' ' O ' ' A' ' 205' ' ' HOH . 0.5 OUTLIER . . . . . 0 CA--C 1.538 0.495 0 CA-C-O 121.554 0.693 . . . . 69.15 112.104 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.6 m -135.99 140.98 44.33 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 108.524 -0.917 . . . . 48.93 108.524 179.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.3 mt -93.47 127.0 38.92 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 107.832 -1.173 . . . . 31.4 107.832 166.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 77.1 mt -120.81 130.62 74.41 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.379 0 N-CA-C 108.474 -0.935 . . . . 28.82 108.474 -169.63 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 41.1 tp -101.54 127.1 48.39 Favored 'General case' 0 C--O 1.236 0.377 0 O-C-N 123.724 0.64 . . . . 25.46 109.294 174.001 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -110.1 143.2 16.73 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 109.169 -1.572 . . . . 26.03 109.169 169.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.7 mm -131.74 132.59 61.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 N-CA-C 108.709 -0.849 . . . . 30.39 108.709 -173.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -117.16 84.71 17.48 Favored Pre-proline 0 C--O 1.242 0.683 0 C-N-CA 123.133 0.573 . . . . 36.34 110.213 175.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -66.85 158.51 56.07 Favored 'Trans proline' 0 C--N 1.326 -0.657 0 CA-C-O 122.725 1.052 . . . . 37.71 113.178 -167.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -169.06 148.09 11.86 Favored Glycine 0 C--O 1.242 0.602 0 CA-C-N 114.563 -1.199 . . . . 38.13 111.271 175.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.6 p -55.13 -46.57 75.63 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.064 0.459 . . . . 49.14 111.024 176.026 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ARG . . . . . 0.994 ' NH2' ' NH2' ' A' ' 44' ' ' ARG . 7.2 mmp_? -92.12 -42.92 9.66 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 112.091 0.404 . . . . 81.69 112.091 -177.355 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.6 mt -135.07 129.74 51.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 N-CA-C 109.406 -0.59 . . . . 41.17 109.406 -175.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 50.0 m -114.16 113.17 24.31 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.672 -1.233 . . . . 33.9 107.672 172.22 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -77.28 144.13 29.2 Favored Glycine 0 CA--C 1.52 0.387 0 C-N-CA 119.933 -1.127 . . . . 26.82 110.73 173.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -129.66 151.1 50.63 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 121.484 0.659 . . . . 31.14 109.716 169.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -148.64 135.23 5.36 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 109.846 -1.302 . . . . 25.73 109.846 173.707 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.7 t -119.48 128.71 75.86 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 N-CA-C 108.095 -1.076 . . . . 27.28 108.095 178.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.0 m -127.6 158.84 38.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 N-CA-C 108.381 -0.97 . . . . 30.38 108.381 175.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ARG . . . . . 0.414 ' NH2' ' O ' ' A' ' 208' ' ' HOH . 34.7 ttp-105 -115.06 119.51 36.7 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.042 -0.981 . . . . 38.46 109.196 179.544 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -63.63 108.47 1.41 Allowed 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.039 -0.528 . . . . 58.93 109.929 171.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.1 t -99.71 166.45 11.1 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.07 -0.715 . . . . 63.59 109.07 166.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.8 -21.65 63.38 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 119.63 -0.828 . . . . 62.1 112.253 174.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -89.46 1.37 55.97 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 124.216 1.006 . . . . 91.14 112.314 178.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 137.48 -118.49 1.7 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.303 -0.475 . . . . 63.14 113.112 -176.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.7 m -143.28 139.41 30.15 Favored 'General case' 0 CA--C 1.512 -0.51 0 N-CA-C 109.022 -0.733 . . . . 49.81 109.022 -178.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -107.88 142.59 37.73 Favored 'General case' 0 C--O 1.235 0.332 0 O-C-N 124.105 0.878 . . . . 50.07 110.084 176.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -71.44 139.23 49.59 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.943 -0.571 . . . . 37.08 110.923 173.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 81.0 t -123.04 -56.61 2.64 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 C-N-CA 120.574 -0.451 . . . . 33.2 110.735 176.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.11 163.42 33.82 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.392 0.615 . . . . 33.4 109.492 177.926 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 99.0 p -165.66 169.75 14.9 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 107.376 -1.342 . . . . 32.87 107.376 173.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 160.79 -164.52 34.73 Favored Glycine 0 C--O 1.227 -0.298 0 C-N-CA 119.905 -1.141 . . . . 31.9 110.851 176.182 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 89.8 m -125.46 135.49 52.39 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 114.771 -0.714 . . . . 38.1 110.281 -175.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.0 mt -101.65 111.35 31.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 105.933 -1.877 . . . . 35.0 105.933 171.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ARG . . . . . 0.603 ' NH1' ' O ' ' A' ' 202' ' ' HOH . 62.3 mtt-85 -98.45 119.25 36.82 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 109.498 -0.556 . . . . 53.82 109.498 -174.678 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.6 p -132.28 78.88 1.83 Allowed 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 105.898 -1.89 . . . . 54.29 105.898 177.205 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -98.64 -64.08 0.85 Allowed Glycine 0 C--N 1.336 0.53 0 C-N-CA 120.962 -0.637 . . . . 69.5 113.31 -178.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -83.89 153.45 23.98 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.64 0.733 . . . . 71.22 110.548 -178.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.96 167.34 15.42 Favored Glycine 0 N--CA 1.443 -0.882 0 CA-C-N 115.278 -0.874 . . . . 45.99 112.283 172.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -65.79 153.72 76.92 Favored 'Trans proline' 0 C--N 1.328 -0.526 0 N-CA-C 110.383 -0.66 . . . . 39.2 110.383 173.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.0 tp -54.75 -48.28 72.79 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 115.561 -0.745 . . . . 41.56 111.556 -173.193 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 49.5 p-80 -63.05 -33.28 75.1 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 119.745 -0.782 . . . . 38.09 111.678 -174.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -68.81 -34.6 75.79 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 118.296 -1.362 . . . . 39.35 111.079 173.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ARG . . . . . 0.994 ' NH2' ' NH2' ' A' ' 12' ' ' ARG . 25.4 mtp180 -66.47 -42.38 87.59 Favored 'General case' 0 C--O 1.236 0.345 0 O-C-N 122.245 -0.284 . . . . 63.59 111.744 175.362 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.8 mt -66.75 -36.47 82.52 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 118.33 -1.348 . . . . 27.55 110.679 178.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -71.03 -30.3 66.45 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 117.91 -1.516 . . . . 29.69 111.885 -178.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 41.4 t -59.37 -47.15 91.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 C-N-CA 120.663 -0.415 . . . . 27.35 110.388 171.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.2 t -58.01 -51.16 74.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 O-C-N 121.967 -0.458 . . . . 25.81 110.769 179.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -54.88 -52.28 63.36 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-O 121.177 0.513 . . . . 25.79 111.632 177.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 33.5 mtm105 -68.85 -39.13 80.1 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 120.463 -0.495 . . . . 45.5 111.221 -175.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.8 m -67.51 -41.25 84.74 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.436 -0.506 . . . . 27.06 111.398 -179.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 30.7 t -62.3 -45.01 99.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 C-N-CA 120.27 -0.572 . . . . 24.03 110.21 176.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -60.6 -36.61 79.0 Favored 'General case' 0 C--O 1.236 0.356 0 O-C-N 121.813 -0.554 . . . . 38.99 111.022 177.543 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -67.59 -43.28 80.94 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.414 -0.514 . . . . 52.96 111.281 179.396 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.6 t -53.65 -43.73 55.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-O 120.795 0.331 . . . . 27.31 110.622 173.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 95.2 mt -70.27 -44.98 77.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 O-C-N 121.942 -0.474 . . . . 29.54 110.565 -174.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -62.91 -34.64 77.86 Favored 'General case' 0 C--O 1.237 0.411 0 O-C-N 122.18 -0.325 . . . . 42.87 111.79 176.454 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 86.9 m -71.42 -51.22 25.11 Favored 'General case' 0 CA--C 1.518 -0.264 0 C-N-CA 119.707 -0.797 . . . . 30.63 111.225 -178.259 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -105.54 -1.96 24.15 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 113.661 0.985 . . . . 30.91 113.661 -166.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.35 27.92 71.5 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 120.287 2.875 . . . . 30.68 120.287 172.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -62.96 142.1 86.71 Favored 'Trans proline' 0 C--O 1.234 0.286 0 CA-C-N 120.517 2.158 . . . . 30.14 111.07 173.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.2 p -108.24 2.94 23.09 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 112.68 0.622 . . . . 31.53 112.68 176.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -136.91 134.31 36.66 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 108.994 -0.743 . . . . 29.96 108.994 -177.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 41.7 tp -102.61 133.91 46.84 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 123.87 0.731 . . . . 29.49 109.206 172.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.7 t -119.22 132.93 55.99 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 106.94 -1.504 . . . . 28.46 106.94 172.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.0 pt -138.71 157.67 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 108.237 -1.023 . . . . 30.76 108.237 -178.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -98.35 134.41 41.4 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.122 -0.944 . . . . 43.12 109.653 -179.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -63.54 138.7 58.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.792 -0.64 . . . . 46.15 110.278 174.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.4 t -89.35 117.07 31.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 N-CA-C 107.487 -1.301 . . . . 32.09 107.487 169.641 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -94.98 -66.05 0.94 Allowed 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 109.631 -0.507 . . . . 31.66 109.631 176.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 31.0 mmt -117.57 117.41 29.33 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 108.263 -1.014 . . . . 33.08 108.263 176.527 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.85 160.74 27.19 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 119.613 -0.835 . . . . 35.28 108.815 166.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.3 mtm-85 -68.42 -29.61 68.32 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 118.138 -1.425 . . . . 64.21 111.23 -174.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -175.15 178.14 1.78 Allowed 'General case' 0 C--O 1.238 0.5 0 N-CA-C 107.235 -1.394 . . . . 34.63 107.235 179.614 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.42 -30.9 47.92 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 113.227 0.825 . . . . 31.01 113.227 -173.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -61.86 -47.67 83.99 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 120.004 1.275 . . . . 33.1 109.845 170.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.9 t -56.07 -49.82 72.73 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 116.342 -0.39 . . . . 38.38 111.479 176.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.31 -41.99 90.35 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 120.185 -0.606 . . . . 28.45 111.862 -175.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 53.0 tp -58.34 -49.56 76.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.878 0.37 . . . . 28.95 110.954 -178.641 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' LYS . . . . . 0.479 ' NZ ' ' O ' ' A' ' 206' ' ' HOH . 23.2 mtmt -71.02 -34.66 71.52 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 120.313 -0.555 . . . . 49.37 111.453 -176.509 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.7 tp -67.13 -42.26 84.75 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 120.448 -0.501 . . . . 33.69 111.529 176.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -63.88 -37.54 94.8 Favored Glycine 0 C--N 1.34 0.765 0 C-N-CA 119.408 -1.377 . . . . 26.11 112.711 -179.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -62.29 -47.53 83.9 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.92 -0.753 . . . . 38.91 111.097 179.092 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.25 -41.26 99.04 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 119.779 -0.768 . . . . 27.04 110.584 176.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 52.7 ttt-85 -61.61 -43.75 98.28 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 116.555 -0.293 . . . . 38.45 111.622 -178.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -66.53 -39.8 94.07 Favored Glycine 0 C--N 1.336 0.545 0 C-N-CA 119.733 -1.222 . . . . 23.28 112.617 178.102 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.54 -39.16 86.88 Favored 'General case' 0 C--O 1.236 0.367 0 O-C-N 122.167 -0.607 . . . . 24.07 111.551 176.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.17 -38.01 63.82 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 121.816 -0.552 . . . . 24.32 111.482 -178.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 92.0 mt -71.14 -40.12 74.66 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 C-N-CA 118.913 -1.115 . . . . 26.26 110.725 -175.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 16.9 m -73.17 -31.54 35.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 C-N-CA 118.81 -1.156 . . . . 23.47 110.131 -176.048 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -56.75 -50.16 73.08 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 120.256 -0.578 . . . . 22.81 110.879 169.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.34 -44.78 76.22 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.05 0.452 . . . . 24.95 110.953 178.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 64.2 mtm -75.58 -30.17 59.55 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 119.717 -0.793 . . . . 45.92 112.681 -174.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' GLU . . . . . 0.511 ' OE2' ' NE2' ' B' ' 46' ' ' HIS . 17.4 mm-40 -59.09 -31.61 69.05 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 119.81 -0.756 . . . . 29.62 111.253 171.958 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -81.6 -2.76 51.33 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 113.01 0.744 . . . . 37.99 113.01 175.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.52 18.09 60.93 Favored Glycine 0 C--N 1.332 0.344 0 N-CA-C 115.396 0.919 . . . . 27.34 115.396 176.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.9 mp -73.29 141.78 47.17 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 118.402 1.101 . . . . 28.83 110.469 177.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.7 p -69.61 160.49 31.45 Favored 'General case' 0 C--O 1.242 0.705 0 C-N-CA 118.655 -1.218 . . . . 29.79 109.223 163.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.8 t -130.6 132.33 64.48 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 108.987 -0.746 . . . . 31.09 108.987 -177.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -131.56 129.94 41.63 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 107.552 -1.277 . . . . 30.64 107.552 178.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -110.2 134.74 51.91 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 109.534 -0.543 . . . . 48.6 109.534 179.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' TYR . . . . . 0.533 ' OH ' ' ND1' ' A' ' 150' ' ' HIS . 87.7 m-85 -126.78 151.21 48.55 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 123.37 0.668 . . . . 35.86 109.319 177.499 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 18.7 p -77.12 160.13 29.25 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.215 -0.661 . . . . 33.13 109.215 176.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.68 -35.0 60.6 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.788 -0.642 . . . . 35.37 111.184 176.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 t -74.77 -38.19 62.25 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 120.548 -0.461 . . . . 43.29 111.679 -177.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -61.59 -42.44 98.87 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 119.156 -1.018 . . . . 37.66 110.868 174.04 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 31.4 t -58.97 -44.75 91.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 120.878 0.371 . . . . 34.62 110.19 -179.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -73.23 -32.23 64.61 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 119.05 -1.06 . . . . 48.32 112.277 -179.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -62.25 -43.92 97.73 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 118.719 0.69 . . . . 48.13 111.248 175.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.77 -31.73 70.96 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.312 -0.555 . . . . 42.53 112.082 -176.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 54.6 t -96.39 -46.2 12.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 112.057 0.391 . . . . 42.28 112.057 -168.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 71.7 t -101.12 -26.12 3.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 N-CA-C 109.685 -0.487 . . . . 43.51 109.685 -176.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.54 -10.39 35.61 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-O 118.743 -1.032 . . . . 41.8 114.747 -177.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 6.0 t -146.82 149.38 33.21 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 118.932 1.366 . . . . 43.81 110.171 177.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.72 -18.1 75.57 Favored Glycine 0 C--N 1.335 0.512 0 CA-C-N 115.13 -0.941 . . . . 36.1 115.022 -170.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 204' ' ' HOH . . . -104.49 16.7 48.06 Favored Glycine 0 C--N 1.33 0.24 0 N-CA-C 115.803 1.081 . . . . 44.42 115.803 -175.789 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.82 143.99 45.61 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 117.581 0.691 . . . . 42.04 111.425 -178.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -86.14 175.49 8.49 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 118.192 -1.403 . . . . 64.74 110.949 179.228 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -28.57 66.25 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.071 -0.968 . . . . 67.5 111.533 -176.793 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -69.13 -51.19 40.95 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 120.476 0.179 . . . . 79.82 111.064 -178.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -63.14 -37.25 86.48 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.121 -0.632 . . . . 57.63 111.578 -179.162 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 51.9 t -64.25 -49.03 82.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 CA-C-O 121.329 0.585 . . . . 43.37 110.019 -177.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -62.24 -33.99 75.66 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 120.136 -0.626 . . . . 63.27 112.042 -179.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 12.7 mmt -74.05 -36.15 64.35 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 119.461 -0.896 . . . . 76.31 112.023 178.084 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 72.6 mmm -73.75 -29.88 62.48 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 119.642 -0.823 . . . . 51.73 111.186 178.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 46.2 t -60.52 -46.42 95.49 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-O 121.299 0.571 . . . . 41.6 109.952 170.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 88.3 mtp -67.84 -36.22 79.96 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.354 -0.538 . . . . 54.04 111.44 178.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -67.75 -47.95 67.79 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 119.302 -0.959 . . . . 50.59 111.555 178.926 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 22.0 mt -70.52 -26.88 63.78 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 112.324 0.49 . . . . 42.69 112.324 -172.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 98.5 mt -104.41 7.0 35.44 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 123.44 0.696 . . . . 41.19 112.348 -179.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 13.3 mmtm 46.51 49.45 13.47 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 124.07 0.948 . . . . 58.09 111.452 -179.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 33.1 mt -85.21 143.54 28.7 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 115.843 -0.617 . . . . 54.76 109.849 176.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 1.3 t -90.53 -34.21 15.63 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 119.651 -0.819 . . . . 59.02 112.403 173.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -102.73 139.14 38.71 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 123.567 0.747 . . . . 62.68 110.47 -174.205 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.79 119.73 39.83 Favored Pre-proline 0 C--O 1.24 0.565 0 N-CA-C 108.965 -0.754 . . . . 69.66 108.965 170.922 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -72.03 152.61 57.24 Favored 'Trans proline' 0 C--N 1.329 -0.487 0 N-CA-C 109.458 -1.016 . . . . 45.94 109.458 170.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.4 149.03 6.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.759 0.79 . . . . 64.06 109.275 166.346 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 2.7 mp -56.92 -47.01 83.92 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 CA-C-N 114.827 -1.078 . . . . 53.05 111.286 -170.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -62.97 -30.81 71.87 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 119.711 -0.795 . . . . 45.98 111.336 178.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -71.15 -42.19 69.47 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 120.007 -0.677 . . . . 31.99 111.175 178.453 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 69.3 p -74.22 -33.69 63.45 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 119.1 -1.04 . . . . 34.51 112.095 -177.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -58.66 -45.62 88.97 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 119.384 -0.926 . . . . 40.63 110.028 170.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -59.27 -43.41 92.49 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.314 -0.554 . . . . 25.75 111.145 177.103 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 71.0 mt -64.95 -42.82 94.3 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 119.707 -0.797 . . . . 27.37 111.049 177.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -52.13 -49.36 63.83 Favored 'General case' 0 C--O 1.241 0.645 0 CA-C-O 121.276 0.56 . . . . 26.88 111.207 172.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 17.1 mt -63.32 -34.76 69.04 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 C-N-CA 119.783 -0.767 . . . . 27.28 110.4 -177.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -70.5 -44.69 67.12 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 119.944 -0.703 . . . . 29.47 110.851 178.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 54.8 mt -56.38 -35.7 68.02 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.528 -0.469 . . . . 30.69 111.579 177.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 43.5 t -60.28 -37.0 79.13 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.085 -0.646 . . . . 33.12 111.006 -178.012 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' HIS . . . . . 0.533 ' ND1' ' OH ' ' A' ' 102' ' ' TYR . 74.8 t60 -76.35 -13.49 60.14 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 113.423 0.897 . . . . 35.04 113.423 -178.545 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -69.96 126.15 28.85 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 119.091 0.859 . . . . 47.65 112.281 -171.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 51.4 m80 76.79 -48.22 0.54 Allowed 'General case' 0 C--O 1.24 0.586 0 C-N-CA 127.998 2.519 . . . . 67.49 111.06 -179.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.237 0.445 0 C-N-CA 123.39 0.676 . . . . 69.81 112.082 169.305 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.6 tmt? . . . . . 0 C--O 1.218 -0.589 0 N-CA-C 109.153 -0.684 . . . . 85.77 109.153 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 1.8 m 60.54 111.59 0.02 OUTLIER 'General case' 0 C--O 1.239 0.529 0 N-CA-C 115.58 1.696 . . . . 53.49 115.58 179.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.77 135.16 36.59 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 107.619 -1.252 . . . . 34.43 107.619 162.484 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 76.9 mt -123.62 130.09 74.24 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 N-CA-C 108.81 -0.811 . . . . 27.82 108.81 -168.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 24.4 tp -102.93 125.25 49.61 Favored 'General case' 0 C--O 1.245 0.816 0 O-C-N 123.52 0.513 . . . . 24.05 109.95 173.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -105.75 138.61 14.38 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.155 -1.178 . . . . 25.55 110.155 169.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 27.1 mm -122.8 136.63 58.99 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.325 0 N-CA-C 107.97 -1.122 . . . . 31.29 107.97 -178.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -122.06 85.91 46.4 Favored Pre-proline 0 C--O 1.241 0.609 0 N-CA-C 108.507 -0.923 . . . . 36.7 108.507 173.452 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -64.94 157.62 55.84 Favored 'Trans proline' 0 C--N 1.328 -0.519 0 CA-C-O 122.447 0.936 . . . . 38.56 112.69 -174.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLY . . . . . 0.858 ' O ' ' O ' ' B' ' 201' ' ' HOH . . . -160.03 155.16 26.26 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 114.463 -1.244 . . . . 41.4 110.24 178.053 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.7 p -54.14 -46.6 72.27 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 114.608 -0.796 . . . . 48.25 111.24 174.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 12.6 mtp-105 -111.48 -24.8 9.94 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 114.452 1.279 . . . . 69.02 114.452 -175.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 24.0 mt -135.47 132.93 52.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 N-CA-C 108.419 -0.956 . . . . 42.43 108.419 178.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 45.2 m -113.21 114.28 26.52 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 107.813 -1.18 . . . . 33.3 107.813 169.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -78.99 153.82 38.48 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 119.857 -1.163 . . . . 29.59 111.49 174.065 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -140.29 147.18 39.54 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.07 -0.715 . . . . 27.7 109.07 173.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -143.25 132.44 5.0 Favored Glycine 0 C--O 1.238 0.392 0 N-CA-C 111.028 -0.829 . . . . 29.04 111.028 173.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 58.6 t -112.83 130.54 66.47 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 N-CA-C 108.223 -1.029 . . . . 26.95 108.223 173.605 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 22.8 m -127.43 154.56 37.92 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 108.087 -1.079 . . . . 28.22 108.087 175.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ARG . . . . . 0.815 ' NH1' ' O ' ' B' ' 202' ' ' HOH . 34.0 ttp-105 -115.55 123.32 48.19 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.291 -0.868 . . . . 37.14 109.115 176.452 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -65.41 133.73 51.97 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 119.818 -0.753 . . . . 48.8 109.723 173.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 80.4 p -121.33 167.68 12.49 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.271 -1.011 . . . . 53.79 108.271 166.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.62 -31.61 70.79 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 119.633 -0.827 . . . . 61.54 111.272 170.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -76.0 -24.79 55.32 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 112.584 0.587 . . . . 79.29 112.584 175.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.22 -112.0 0.51 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.015 -0.612 . . . . 55.53 111.923 -177.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 18.6 m -139.91 141.25 36.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.148 -0.619 . . . . 41.73 109.664 -179.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -110.03 142.6 41.24 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.832 -0.803 . . . . 57.51 108.832 174.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -67.69 133.45 49.34 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.521 -0.763 . . . . 34.57 110.153 173.349 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 93.7 t -112.63 -47.56 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-O 120.607 0.241 . . . . 30.66 111.444 175.007 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -168.5 160.59 11.14 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.373 -0.973 . . . . 29.48 108.373 -178.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 62.4 p -164.78 164.6 21.08 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.432 -1.322 . . . . 30.02 107.432 173.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 167.45 -167.62 40.04 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 110.125 -1.19 . . . . 30.09 110.125 176.218 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 55.8 m -126.65 136.7 52.83 Favored 'General case' 0 CA--C 1.514 -0.417 0 C-N-CA 124.058 0.943 . . . . 46.22 109.622 -178.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 9.7 mt -99.72 113.79 36.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 106.417 -1.697 . . . . 34.69 106.417 167.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' ARG . . . . . 0.416 ' NH2' ' OE1' ' B' ' 137' ' ' GLN . 17.6 mtt85 -98.5 125.64 43.78 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 109.744 -0.465 . . . . 64.64 109.744 -174.058 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 62.5 p -133.32 59.32 1.74 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 121.792 0.806 . . . . 52.42 109.001 -175.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -91.76 -27.52 16.69 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 121.124 -0.56 . . . . 58.93 113.9 -179.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -117.97 152.88 34.6 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 117.157 0.478 . . . . 71.75 110.816 -171.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 102.9 173.36 26.57 Favored Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.385 -0.825 . . . . 56.2 113.032 171.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -58.57 145.36 95.32 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 120.32 0.68 . . . . 46.97 110.989 175.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.1 tp -53.25 -39.4 63.81 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.681 -0.69 . . . . 50.68 111.862 -176.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -68.47 -36.33 78.82 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 119.872 -0.731 . . . . 41.91 111.667 -178.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -65.15 -37.05 86.16 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 118.539 -1.264 . . . . 44.46 110.796 176.614 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 56.5 mtm-85 -61.71 -45.64 93.1 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 120.882 0.373 . . . . 54.2 111.243 177.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 38.0 mt -62.96 -41.9 99.67 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 119.979 -0.689 . . . . 36.0 111.334 177.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' HIS . . . . . 0.511 ' NE2' ' OE2' ' A' ' 94' ' ' GLU . 6.4 t-160 -69.9 -31.49 69.3 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 117.485 -1.686 . . . . 29.36 111.92 -175.517 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 78.5 t -59.96 -44.29 94.22 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-O 120.892 0.377 . . . . 33.49 110.598 173.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 78.1 t -58.08 -49.46 81.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 O-C-N 121.817 -0.552 . . . . 30.75 110.393 176.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -58.98 -50.38 74.29 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.349 -0.54 . . . . 25.62 111.198 179.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' ARG . . . . . 0.503 ' NH2' ' O ' ' B' ' 208' ' ' HOH . 20.5 mtm105 -67.09 -36.08 81.19 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 112.086 0.402 . . . . 40.09 112.086 -176.932 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 6.0 m -71.95 -38.82 69.73 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.097 -0.641 . . . . 27.76 111.403 -178.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 28.5 t -63.87 -46.52 94.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 CA-C-O 121.234 0.54 . . . . 27.21 110.019 177.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -53.63 -41.77 67.06 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.601 -0.439 . . . . 39.04 111.613 174.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -75.26 -34.9 61.42 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 118.732 -1.187 . . . . 50.57 110.836 -173.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 45.1 t -58.51 -42.95 85.88 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 O-C-N 121.702 -0.624 . . . . 26.89 110.983 169.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.51 -49.48 80.44 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 O-C-N 121.575 -0.703 . . . . 26.12 110.683 -179.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -63.01 -34.02 76.67 Favored 'General case' 0 C--O 1.238 0.486 0 O-C-N 121.904 -0.498 . . . . 54.1 112.16 -178.07 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 91.8 m -72.91 -41.76 64.23 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 120.426 -0.51 . . . . 27.73 111.691 -179.232 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -113.08 -4.64 13.81 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 114.188 1.181 . . . . 31.04 114.188 -168.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 60.33 35.8 89.3 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 119.671 2.629 . . . . 29.6 119.671 173.614 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -66.66 141.59 60.79 Favored 'Trans proline' 0 C--O 1.236 0.4 0 CA-C-N 119.855 1.827 . . . . 30.62 110.487 168.926 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 50.6 p -106.37 -2.93 21.65 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 115.433 -0.803 . . . . 30.75 112.492 176.175 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -131.91 130.65 41.86 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 109.545 -0.539 . . . . 27.55 109.545 -177.048 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 15.8 tp -103.83 130.03 51.36 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.093 -0.706 . . . . 27.81 109.093 173.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 32.4 t -113.35 128.98 56.64 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 106.983 -1.488 . . . . 24.05 106.983 174.182 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 30.0 pt -132.22 161.14 41.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-O 121.9 0.857 . . . . 30.44 109.756 176.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' GLU . . . . . 0.576 ' N ' ' O ' ' B' ' 206' ' ' HOH . 31.5 tt0 -99.83 129.01 45.89 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 114.668 -1.151 . . . . 46.78 110.466 -178.977 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -58.61 131.96 52.38 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.337 -0.545 . . . . 51.4 110.159 172.106 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 87.0 t -76.67 126.25 37.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 N-CA-C 108.717 -0.846 . . . . 34.38 108.717 170.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -102.29 -80.02 0.51 Allowed 'General case' 0 C--O 1.238 0.448 0 C-N-CA 119.149 -1.02 . . . . 33.24 109.657 177.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 32.0 mmt -112.32 108.87 18.21 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 108.503 -0.925 . . . . 39.79 108.503 178.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' ALA . . . . . 0.44 ' O ' ' O ' ' B' ' 204' ' ' HOH . . . -76.69 163.82 26.47 Favored 'General case' 0 CA--C 1.515 -0.394 0 N-CA-C 108.163 -1.051 . . . . 33.63 108.163 164.593 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' ARG . . . . . 0.412 ' NH2' ' O ' ' B' ' 213' ' ' HOH . 12.7 ttt180 -73.87 -33.66 64.15 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 117.082 -1.847 . . . . 49.01 111.704 -174.462 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -159.08 177.04 11.53 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 107.293 -1.373 . . . . 41.63 107.293 178.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.19 -33.89 75.26 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 119.462 -0.895 . . . . 32.37 111.67 -177.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -65.15 -44.89 87.12 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 119.573 -0.851 . . . . 46.38 111.472 178.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 13.8 m -60.99 -43.61 98.6 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.867 -0.333 . . . . 49.39 111.005 176.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.81 86.97 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 120.722 0.296 . . . . 28.97 111.422 -179.171 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 15.1 tp -66.3 -48.95 68.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.554 0.216 . . . . 33.67 111.212 -179.425 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 48.8 mttm -66.94 -42.81 84.67 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 119.843 -0.743 . . . . 54.27 110.962 -179.193 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 20.4 tp -58.83 -44.18 90.85 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-O 120.921 0.391 . . . . 40.39 111.214 175.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -62.65 -41.42 99.82 Favored Glycine 0 C--N 1.337 0.632 0 C-N-CA 119.619 -1.276 . . . . 28.04 111.832 -178.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -61.13 -40.37 93.54 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.089 -0.645 . . . . 42.56 111.345 -179.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.93 -39.04 69.73 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 120.776 -0.37 . . . . 29.39 110.984 178.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 3.5 ttp85 -60.6 -46.88 88.61 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.054 0.454 . . . . 41.33 111.263 175.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.08 -41.31 99.68 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 119.689 -1.244 . . . . 26.36 112.356 178.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.75 -37.79 88.78 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.244 -0.582 . . . . 23.49 110.82 -179.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.84 -38.4 70.13 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 120.264 -0.574 . . . . 24.22 111.564 179.122 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 52.5 mt -66.62 -46.62 85.58 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 C-N-CA 120.405 -0.518 . . . . 23.31 110.93 -176.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 32.0 m -69.22 -25.74 30.22 Favored 'Isoleucine or valine' 0 C--O 1.242 0.693 0 C-N-CA 118.271 -1.372 . . . . 25.61 110.986 -177.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.49 -41.29 89.13 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 121.279 -0.888 . . . . 23.53 110.981 173.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.52 -43.71 98.14 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.14 -0.624 . . . . 24.7 110.668 175.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' MET . . . . . . . . . . . . . 4.0 mtp -72.12 -28.45 63.28 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 112.861 0.689 . . . . 48.54 112.861 -176.666 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -63.76 -33.22 75.18 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 119.481 -0.888 . . . . 35.22 110.764 174.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -82.02 -0.87 46.27 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 112.55 0.574 . . . . 38.1 112.55 176.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 83.57 19.99 60.9 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 115.7 1.04 . . . . 27.72 115.7 175.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 11.0 mp -76.7 142.02 40.67 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 119.052 1.426 . . . . 29.17 109.815 178.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 79.4 p -66.49 164.71 15.89 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 119.473 -0.891 . . . . 29.06 109.613 162.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 52.1 t -138.13 123.79 24.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 N-CA-C 108.522 -0.918 . . . . 32.39 108.522 -172.782 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -121.87 138.87 54.23 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 108.324 -0.991 . . . . 29.95 108.324 175.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -116.67 132.17 56.76 Favored 'General case' 0 C--O 1.236 0.37 0 O-C-N 123.464 0.478 . . . . 45.2 109.782 -179.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' TYR . . . . . 0.413 ' OH ' ' ND1' ' B' ' 150' ' ' HIS . 93.5 m-85 -128.57 141.51 51.35 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.47 -0.937 . . . . 34.74 108.47 -178.578 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 39.3 p -68.82 160.63 30.19 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 120.096 -0.642 . . . . 36.77 110.146 171.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.36 -31.7 45.84 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.451 -0.795 . . . . 34.9 112.252 172.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 4.1 m -74.44 -40.75 61.74 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 120.302 -0.559 . . . . 43.25 110.998 -177.81 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -60.59 -40.84 93.23 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 119.983 -0.687 . . . . 43.27 111.294 174.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.93 -47.68 92.09 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 C-N-CA 120.051 -0.66 . . . . 31.33 110.257 -179.155 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -67.71 -33.89 75.79 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 119.783 -0.767 . . . . 42.69 111.687 -178.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -65.56 -39.58 91.84 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 120.294 -0.562 . . . . 55.23 111.216 179.512 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -75.58 -33.88 60.62 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 119.826 -0.75 . . . . 36.36 111.766 -176.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 99.2 t -88.56 -45.37 15.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 111.431 0.16 . . . . 40.19 111.431 -174.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 51.7 t -101.65 -32.39 3.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 O-C-N 121.672 -0.642 . . . . 38.27 110.347 -174.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.25 -8.9 28.89 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-O 118.898 -0.945 . . . . 45.95 114.837 -177.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 2.0 t -147.63 142.88 27.25 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 119.206 1.503 . . . . 43.94 109.566 176.174 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.29 -13.93 65.72 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 120.668 -0.777 . . . . 36.37 114.586 -170.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -103.07 17.42 52.18 Favored Glycine 0 C--N 1.333 0.391 0 CA-C-N 118.069 0.934 . . . . 39.07 114.872 -178.062 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.66 144.35 57.09 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 117.626 0.713 . . . . 38.74 111.426 -179.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -86.77 179.93 6.67 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.88 0.847 . . . . 65.49 110.36 179.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -66.54 -36.5 82.84 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.94 -0.573 . . . . 69.97 111.831 -171.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -63.74 -47.6 80.39 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.504 -0.478 . . . . 67.56 110.691 -178.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -54.91 -44.1 73.87 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 120.657 -0.417 . . . . 53.24 111.477 175.443 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 70.1 t -61.91 -51.51 71.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 C-N-CA 120.23 -0.588 . . . . 41.78 110.26 -178.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -60.17 -42.66 95.47 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.336 -0.546 . . . . 61.81 111.665 -177.566 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 17.6 mmt -64.1 -44.3 92.72 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.974 -0.29 . . . . 75.57 111.647 178.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 68.8 mmm -69.93 -27.7 64.98 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 118.785 -1.166 . . . . 51.13 111.727 -179.522 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 19.2 t -66.68 -40.78 86.93 Favored 'Isoleucine or valine' 0 C--O 1.239 0.529 0 C-N-CA 119.853 -0.739 . . . . 39.34 110.017 174.635 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 127' ' ' MET . . . . . . . . . . . . . 2.6 mtp -73.31 -28.69 62.22 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.153 -0.619 . . . . 63.04 111.897 176.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -70.62 -50.35 37.94 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 119.779 -0.768 . . . . 50.93 110.815 175.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 129' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' B' ' 203' ' ' HOH . 61.4 mt -67.83 -28.42 67.55 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 112.188 0.44 . . . . 42.32 112.188 -174.667 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 94.2 mt -104.44 4.03 32.81 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 122.691 0.396 . . . . 43.17 112.052 -177.463 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 1.7 mptt 54.19 49.37 18.83 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.458 1.103 . . . . 54.48 111.576 176.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 15.4 mt -94.93 139.71 30.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.802 -0.636 . . . . 53.94 110.352 178.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 86.0 m -87.3 -40.84 14.13 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.607 -0.724 . . . . 64.53 111.419 169.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 134' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -84.76 124.31 31.41 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 123.3 0.64 . . . . 71.76 109.581 -174.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -59.36 114.61 9.73 Favored Pre-proline 0 C--O 1.236 0.387 0 N-CA-C 108.469 -0.937 . . . . 62.26 108.469 170.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -77.66 152.98 29.78 Favored 'Trans proline' 0 C--N 1.326 -0.617 0 CA-C-O 122.016 0.757 . . . . 52.17 110.827 176.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 137' ' ' GLN . . . . . 0.416 ' OE1' ' NH2' ' B' ' 35' ' ' ARG . 3.4 tt0 -54.18 151.22 7.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.854 -1.066 . . . . 68.44 110.148 172.874 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 3.7 mp -63.72 -36.11 75.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 115.822 -0.626 . . . . 48.87 110.756 -167.183 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -69.35 -36.58 77.01 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 119.448 -0.901 . . . . 41.48 111.884 178.927 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -71.97 -35.45 69.54 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.21 -0.596 . . . . 33.98 110.46 176.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 36.1 t -66.54 -46.12 77.15 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-O 120.746 0.308 . . . . 42.04 111.36 178.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -57.91 -44.76 87.0 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.06 0.457 . . . . 39.45 110.765 175.871 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.42 -39.51 93.53 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 119.883 -0.727 . . . . 26.98 111.006 179.661 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 36.2 mt -61.59 -44.0 97.82 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 119.906 -0.717 . . . . 28.44 111.148 174.351 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -56.27 -45.57 80.07 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.93 0.395 . . . . 28.11 111.158 177.067 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 146' ' ' ILE . . . . . . . . . . . . . 21.4 mt -63.67 -39.59 85.93 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 121.986 -0.446 . . . . 30.03 110.559 -179.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.1 -45.97 86.31 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.468 -0.77 . . . . 27.5 111.052 177.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 35.4 mt -60.57 -32.78 71.86 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 121.012 -0.275 . . . . 32.94 111.595 178.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 149' ' ' CYS . . . . . . . . . . . . . 42.3 t -59.81 -37.24 78.59 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 119.346 -0.942 . . . . 32.07 111.093 179.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 150' ' ' HIS . . . . . 0.413 ' ND1' ' OH ' ' B' ' 102' ' ' TYR . 73.7 t60 -74.85 -22.86 58.44 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.287 0.847 . . . . 34.16 113.287 179.184 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -65.76 137.87 57.55 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.619 0.723 . . . . 41.48 112.525 -173.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 64.7 38.46 6.96 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.231 -0.895 . . . . 56.32 111.486 174.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 153' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 107.925 -1.139 . . . . 58.74 107.925 170.256 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . 0.603 ' O ' ' NH1' ' A' ' 35' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . 0.543 ' O ' ' N ' ' A' ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . 0.507 ' O ' ' N ' ' A' ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . 0.479 ' O ' ' NZ ' ' A' ' 80' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . 0.414 ' O ' ' NH2' ' A' ' 20' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' HOH . . . . . 0.858 ' O ' ' O ' ' B' ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . 0.815 ' O ' ' NH1' ' B' ' 20' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . 0.427 ' O ' ' O ' ' B' ' 129' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' HOH . . . . . 0.44 ' O ' ' O ' ' B' ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' HOH . . . . . 0.576 ' O ' ' N ' ' B' ' 67' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 208' ' ' HOH . . . . . 0.503 ' O ' ' NH2' ' B' ' 50' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 209' ' ' HOH . . . . . 0.459 ' O ' ' NH2' ' B' ' 20' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 213' ' ' HOH . . . . . 0.412 ' O ' ' NH2' ' B' ' 73' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 254' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 255' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 256' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 257' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 259' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 260' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 261' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 262' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 263' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 205' ' ' HOH . 0.5 OUTLIER . . . . . 0 CA--C 1.538 0.495 0 CA-C-O 121.554 0.693 . . . . 69.15 112.104 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 2' ' ' THR . . . . . 0.625 ' H ' ' HB2' ' A' ' 21' ' ' GLU . 9.6 m -135.99 140.98 44.33 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 108.524 -0.917 . . . . 48.93 108.524 179.717 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.3 mt -93.47 127.0 38.92 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 107.832 -1.173 . . . . 31.4 107.832 166.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 77.1 mt -120.81 130.62 74.41 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.379 0 N-CA-C 108.474 -0.935 . . . . 28.82 108.474 -169.63 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 41.1 tp -101.54 127.1 48.39 Favored 'General case' 0 C--O 1.236 0.377 0 O-C-N 123.724 0.64 . . . . 25.46 109.294 174.001 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -110.1 143.2 16.73 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 109.169 -1.572 . . . . 26.03 109.169 169.253 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.7 mm -131.74 132.59 61.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 N-CA-C 108.709 -0.849 . . . . 30.39 108.709 -173.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -117.16 84.71 17.48 Favored Pre-proline 0 C--O 1.242 0.683 0 C-N-CA 123.133 0.573 . . . . 36.34 110.213 175.958 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -66.85 158.51 56.07 Favored 'Trans proline' 0 C--N 1.326 -0.657 0 CA-C-O 122.725 1.052 . . . . 37.71 113.178 -167.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -169.06 148.09 11.86 Favored Glycine 0 C--O 1.242 0.602 0 CA-C-N 114.563 -1.199 . . . . 38.13 111.271 175.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' SER . . . . . 0.603 ' HB3' ' HB3' ' A' ' 80' ' ' LYS . 2.6 p -55.13 -46.57 75.63 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.064 0.459 . . . . 49.14 111.024 176.026 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ARG . . . . . 1.105 HH21 ' NH2' ' A' ' 44' ' ' ARG . 7.2 mmp_? -92.12 -42.92 9.66 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 112.091 0.404 . . . . 81.69 112.091 -177.355 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.6 mt -135.07 129.74 51.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 N-CA-C 109.406 -0.59 . . . . 41.17 109.406 -175.198 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 50.0 m -114.16 113.17 24.31 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.672 -1.233 . . . . 33.9 107.672 172.22 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -77.28 144.13 29.2 Favored Glycine 0 CA--C 1.52 0.387 0 C-N-CA 119.933 -1.127 . . . . 26.82 110.73 173.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -129.66 151.1 50.63 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 121.484 0.659 . . . . 31.14 109.716 169.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -148.64 135.23 5.36 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 109.846 -1.302 . . . . 25.73 109.846 173.707 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.7 t -119.48 128.71 75.86 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 N-CA-C 108.095 -1.076 . . . . 27.28 108.095 178.011 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.0 m -127.6 158.84 38.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 N-CA-C 108.381 -0.97 . . . . 30.38 108.381 175.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.7 ttp-105 -115.06 119.51 36.7 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.042 -0.981 . . . . 38.46 109.196 179.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLU . . . . . 0.625 ' HB2' ' H ' ' A' ' 2' ' ' THR . 20.3 mt-10 -63.63 108.47 1.41 Allowed 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.039 -0.528 . . . . 58.93 109.929 171.868 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' THR . . . . . 0.42 HG23 ' N ' ' A' ' 25' ' ' GLY . 10.1 t -99.71 166.45 11.1 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.07 -0.715 . . . . 63.59 109.07 166.712 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.8 -21.65 63.38 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 119.63 -0.828 . . . . 62.1 112.253 174.672 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -89.46 1.37 55.97 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 124.216 1.006 . . . . 91.14 112.314 178.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLY . . . . . 0.42 ' N ' HG23 ' A' ' 22' ' ' THR . . . 137.48 -118.49 1.7 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.303 -0.475 . . . . 63.14 113.112 -176.869 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.7 m -143.28 139.41 30.15 Favored 'General case' 0 CA--C 1.512 -0.51 0 N-CA-C 109.022 -0.733 . . . . 49.81 109.022 -178.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -107.88 142.59 37.73 Favored 'General case' 0 C--O 1.235 0.332 0 O-C-N 124.105 0.878 . . . . 50.07 110.084 176.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -71.44 139.23 49.59 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.943 -0.571 . . . . 37.08 110.923 173.698 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 81.0 t -123.04 -56.61 2.64 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 C-N-CA 120.574 -0.451 . . . . 33.2 110.735 176.686 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.11 163.42 33.82 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.392 0.615 . . . . 33.4 109.492 177.926 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 99.0 p -165.66 169.75 14.9 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 107.376 -1.342 . . . . 32.87 107.376 173.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 160.79 -164.52 34.73 Favored Glycine 0 C--O 1.227 -0.298 0 C-N-CA 119.905 -1.141 . . . . 31.9 110.851 176.182 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' CYS . . . . . 0.429 ' SG ' ' HG2' ' A' ' 137' ' ' GLN . 89.8 m -125.46 135.49 52.39 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 114.771 -0.714 . . . . 38.1 110.281 -175.667 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.0 mt -101.65 111.35 31.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 105.933 -1.877 . . . . 35.0 105.933 171.427 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 62.3 mtt-85 -98.45 119.25 36.82 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 109.498 -0.556 . . . . 53.82 109.498 -174.678 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.6 p -132.28 78.88 1.83 Allowed 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 105.898 -1.89 . . . . 54.29 105.898 177.205 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -98.64 -64.08 0.85 Allowed Glycine 0 C--N 1.336 0.53 0 C-N-CA 120.962 -0.637 . . . . 69.5 113.31 -178.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -83.89 153.45 23.98 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.64 0.733 . . . . 71.22 110.548 -178.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.96 167.34 15.42 Favored Glycine 0 N--CA 1.443 -0.882 0 CA-C-N 115.278 -0.874 . . . . 45.99 112.283 172.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -65.79 153.72 76.92 Favored 'Trans proline' 0 C--N 1.328 -0.526 0 N-CA-C 110.383 -0.66 . . . . 39.2 110.383 173.679 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.0 tp -54.75 -48.28 72.79 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 115.561 -0.745 . . . . 41.56 111.556 -173.193 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 49.5 p-80 -63.05 -33.28 75.1 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 119.745 -0.782 . . . . 38.09 111.678 -174.507 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -68.81 -34.6 75.79 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 118.296 -1.362 . . . . 39.35 111.079 173.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ARG . . . . . 1.105 ' NH2' HH21 ' A' ' 12' ' ' ARG . 25.4 mtp180 -66.47 -42.38 87.59 Favored 'General case' 0 C--O 1.236 0.345 0 O-C-N 122.245 -0.284 . . . . 63.59 111.744 175.362 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.8 mt -66.75 -36.47 82.52 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 118.33 -1.348 . . . . 27.55 110.679 178.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -71.03 -30.3 66.45 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 117.91 -1.516 . . . . 29.69 111.885 -178.236 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 41.4 t -59.37 -47.15 91.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 C-N-CA 120.663 -0.415 . . . . 27.35 110.388 171.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.2 t -58.01 -51.16 74.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 O-C-N 121.967 -0.458 . . . . 25.81 110.769 179.475 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -54.88 -52.28 63.36 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-O 121.177 0.513 . . . . 25.79 111.632 177.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 33.5 mtm105 -68.85 -39.13 80.1 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 120.463 -0.495 . . . . 45.5 111.221 -175.099 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.8 m -67.51 -41.25 84.74 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.436 -0.506 . . . . 27.06 111.398 -179.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 30.7 t -62.3 -45.01 99.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 C-N-CA 120.27 -0.572 . . . . 24.03 110.21 176.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -60.6 -36.61 79.0 Favored 'General case' 0 C--O 1.236 0.356 0 O-C-N 121.813 -0.554 . . . . 38.99 111.022 177.543 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -67.59 -43.28 80.94 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.414 -0.514 . . . . 52.96 111.281 179.396 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.6 t -53.65 -43.73 55.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-O 120.795 0.331 . . . . 27.31 110.622 173.464 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 95.2 mt -70.27 -44.98 77.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 O-C-N 121.942 -0.474 . . . . 29.54 110.565 -174.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -62.91 -34.64 77.86 Favored 'General case' 0 C--O 1.237 0.411 0 O-C-N 122.18 -0.325 . . . . 42.87 111.79 176.454 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 86.9 m -71.42 -51.22 25.11 Favored 'General case' 0 CA--C 1.518 -0.264 0 C-N-CA 119.707 -0.797 . . . . 30.63 111.225 -178.259 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -105.54 -1.96 24.15 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 113.661 0.985 . . . . 30.91 113.661 -166.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.35 27.92 71.5 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 120.287 2.875 . . . . 30.68 120.287 172.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -62.96 142.1 86.71 Favored 'Trans proline' 0 C--O 1.234 0.286 0 CA-C-N 120.517 2.158 . . . . 30.14 111.07 173.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.2 p -108.24 2.94 23.09 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 112.68 0.622 . . . . 31.53 112.68 176.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -136.91 134.31 36.66 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 108.994 -0.743 . . . . 29.96 108.994 -177.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 41.7 tp -102.61 133.91 46.84 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 123.87 0.731 . . . . 29.49 109.206 172.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.7 t -119.22 132.93 55.99 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 106.94 -1.504 . . . . 28.46 106.94 172.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.0 pt -138.71 157.67 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 108.237 -1.023 . . . . 30.76 108.237 -178.34 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -98.35 134.41 41.4 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.122 -0.944 . . . . 43.12 109.653 -179.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -63.54 138.7 58.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.792 -0.64 . . . . 46.15 110.278 174.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.4 t -89.35 117.07 31.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 N-CA-C 107.487 -1.301 . . . . 32.09 107.487 169.641 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -94.98 -66.05 0.94 Allowed 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 109.631 -0.507 . . . . 31.66 109.631 176.703 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 31.0 mmt -117.57 117.41 29.33 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 108.263 -1.014 . . . . 33.08 108.263 176.527 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.85 160.74 27.19 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 119.613 -0.835 . . . . 35.28 108.815 166.485 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ARG . . . . . 0.503 ' HG3' ' NH2' ' A' ' 73' ' ' ARG . 11.3 mtm-85 -68.42 -29.61 68.32 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 118.138 -1.425 . . . . 64.21 111.23 -174.327 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -175.15 178.14 1.78 Allowed 'General case' 0 C--O 1.238 0.5 0 N-CA-C 107.235 -1.394 . . . . 34.63 107.235 179.614 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.42 -30.9 47.92 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 113.227 0.825 . . . . 31.01 113.227 -173.513 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -61.86 -47.67 83.99 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 120.004 1.275 . . . . 33.1 109.845 170.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.9 t -56.07 -49.82 72.73 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 116.342 -0.39 . . . . 38.38 111.479 176.37 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.31 -41.99 90.35 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 120.185 -0.606 . . . . 28.45 111.862 -175.503 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 53.0 tp -58.34 -49.56 76.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.878 0.37 . . . . 28.95 110.954 -178.641 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' LYS . . . . . 0.603 ' HB3' ' HB3' ' A' ' 11' ' ' SER . 23.2 mtmt -71.02 -34.66 71.52 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 120.313 -0.555 . . . . 49.37 111.453 -176.509 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.7 tp -67.13 -42.26 84.75 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 120.448 -0.501 . . . . 33.69 111.529 176.698 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -63.88 -37.54 94.8 Favored Glycine 0 C--N 1.34 0.765 0 C-N-CA 119.408 -1.377 . . . . 26.11 112.711 -179.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -62.29 -47.53 83.9 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.92 -0.753 . . . . 38.91 111.097 179.092 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.25 -41.26 99.04 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 119.779 -0.768 . . . . 27.04 110.584 176.451 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 52.7 ttt-85 -61.61 -43.75 98.28 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 116.555 -0.293 . . . . 38.45 111.622 -178.596 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' GLY . . . . . 0.468 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -66.53 -39.8 94.07 Favored Glycine 0 C--N 1.336 0.545 0 C-N-CA 119.733 -1.222 . . . . 23.28 112.617 178.102 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.54 -39.16 86.88 Favored 'General case' 0 C--O 1.236 0.367 0 O-C-N 122.167 -0.607 . . . . 24.07 111.551 176.826 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.17 -38.01 63.82 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 121.816 -0.552 . . . . 24.32 111.482 -178.404 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 92.0 mt -71.14 -40.12 74.66 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 C-N-CA 118.913 -1.115 . . . . 26.26 110.725 -175.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 86' ' ' GLY . 16.9 m -73.17 -31.54 35.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 C-N-CA 118.81 -1.156 . . . . 23.47 110.131 -176.048 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -56.75 -50.16 73.08 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 120.256 -0.578 . . . . 22.81 110.879 169.727 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.34 -44.78 76.22 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.05 0.452 . . . . 24.95 110.953 178.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' MET . . . . . 0.716 ' HE3' ' HB2' ' B' ' 46' ' ' HIS . 64.2 mtm -75.58 -30.17 59.55 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 119.717 -0.793 . . . . 45.92 112.681 -174.269 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -59.09 -31.61 69.05 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 119.81 -0.756 . . . . 29.62 111.253 171.958 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -81.6 -2.76 51.33 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 113.01 0.744 . . . . 37.99 113.01 175.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.52 18.09 60.93 Favored Glycine 0 C--N 1.332 0.344 0 N-CA-C 115.396 0.919 . . . . 27.34 115.396 176.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.9 mp -73.29 141.78 47.17 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 118.402 1.101 . . . . 28.83 110.469 177.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.7 p -69.61 160.49 31.45 Favored 'General case' 0 C--O 1.242 0.705 0 C-N-CA 118.655 -1.218 . . . . 29.79 109.223 163.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.8 t -130.6 132.33 64.48 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 108.987 -0.746 . . . . 31.09 108.987 -177.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -131.56 129.94 41.63 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 107.552 -1.277 . . . . 30.64 107.552 178.09 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -110.2 134.74 51.91 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 109.534 -0.543 . . . . 48.6 109.534 179.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -126.78 151.21 48.55 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 123.37 0.668 . . . . 35.86 109.319 177.499 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 18.7 p -77.12 160.13 29.25 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.215 -0.661 . . . . 33.13 109.215 176.107 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.68 -35.0 60.6 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.788 -0.642 . . . . 35.37 111.184 176.403 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 t -74.77 -38.19 62.25 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 120.548 -0.461 . . . . 43.29 111.679 -177.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -61.59 -42.44 98.87 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 119.156 -1.018 . . . . 37.66 110.868 174.04 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 31.4 t -58.97 -44.75 91.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 120.878 0.371 . . . . 34.62 110.19 -179.836 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -73.23 -32.23 64.61 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 119.05 -1.06 . . . . 48.32 112.277 -179.291 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -62.25 -43.92 97.73 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 118.719 0.69 . . . . 48.13 111.248 175.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.77 -31.73 70.96 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.312 -0.555 . . . . 42.53 112.082 -176.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 54.6 t -96.39 -46.2 12.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 112.057 0.391 . . . . 42.28 112.057 -168.677 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 71.7 t -101.12 -26.12 3.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 N-CA-C 109.685 -0.487 . . . . 43.51 109.685 -176.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.54 -10.39 35.61 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-O 118.743 -1.032 . . . . 41.8 114.747 -177.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 6.0 t -146.82 149.38 33.21 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 118.932 1.366 . . . . 43.81 110.171 177.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.72 -18.1 75.57 Favored Glycine 0 C--N 1.335 0.512 0 CA-C-N 115.13 -0.941 . . . . 36.1 115.022 -170.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 204' ' ' HOH . . . -104.49 16.7 48.06 Favored Glycine 0 C--N 1.33 0.24 0 N-CA-C 115.803 1.081 . . . . 44.42 115.803 -175.789 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.82 143.99 45.61 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 117.581 0.691 . . . . 42.04 111.425 -178.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -86.14 175.49 8.49 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 118.192 -1.403 . . . . 64.74 110.949 179.228 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' LYS . . . . . 0.528 ' HD3' ' H ' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -58.87 -28.57 66.25 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.071 -0.968 . . . . 67.5 111.533 -176.793 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 120' ' ' GLN . . . . . 0.528 ' H ' ' HD3' ' A' ' 119' ' ' LYS . 12.0 tt0 -69.13 -51.19 40.95 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 120.476 0.179 . . . . 79.82 111.064 -178.216 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -63.14 -37.25 86.48 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.121 -0.632 . . . . 57.63 111.578 -179.162 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 51.9 t -64.25 -49.03 82.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 CA-C-O 121.329 0.585 . . . . 43.37 110.019 -177.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -62.24 -33.99 75.66 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 120.136 -0.626 . . . . 63.27 112.042 -179.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 12.7 mmt -74.05 -36.15 64.35 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 119.461 -0.896 . . . . 76.31 112.023 178.084 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 72.6 mmm -73.75 -29.88 62.48 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 119.642 -0.823 . . . . 51.73 111.186 178.289 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 46.2 t -60.52 -46.42 95.49 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-O 121.299 0.571 . . . . 41.6 109.952 170.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 88.3 mtp -67.84 -36.22 79.96 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.354 -0.538 . . . . 54.04 111.44 178.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -67.75 -47.95 67.79 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 119.302 -0.959 . . . . 50.59 111.555 178.926 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 22.0 mt -70.52 -26.88 63.78 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 112.324 0.49 . . . . 42.69 112.324 -172.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 98.5 mt -104.41 7.0 35.44 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 123.44 0.696 . . . . 41.19 112.348 -179.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 13.3 mmtm 46.51 49.45 13.47 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 124.07 0.948 . . . . 58.09 111.452 -179.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 33.1 mt -85.21 143.54 28.7 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 115.843 -0.617 . . . . 54.76 109.849 176.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 1.3 t -90.53 -34.21 15.63 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 119.651 -0.819 . . . . 59.02 112.403 173.874 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -102.73 139.14 38.71 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 123.567 0.747 . . . . 62.68 110.47 -174.205 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.79 119.73 39.83 Favored Pre-proline 0 C--O 1.24 0.565 0 N-CA-C 108.965 -0.754 . . . . 69.66 108.965 170.922 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -72.03 152.61 57.24 Favored 'Trans proline' 0 C--N 1.329 -0.487 0 N-CA-C 109.458 -1.016 . . . . 45.94 109.458 170.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 137' ' ' GLN . . . . . 0.538 ' HG3' ' N ' ' A' ' 138' ' ' ILE . 0.9 OUTLIER -52.4 149.03 6.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.759 0.79 . . . . 64.06 109.275 166.346 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 138' ' ' ILE . . . . . 0.696 HD12 ' H ' ' A' ' 138' ' ' ILE . 2.7 mp -56.92 -47.01 83.92 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 CA-C-N 114.827 -1.078 . . . . 53.05 111.286 -170.153 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -62.97 -30.81 71.87 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 119.711 -0.795 . . . . 45.98 111.336 178.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -71.15 -42.19 69.47 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 120.007 -0.677 . . . . 31.99 111.175 178.453 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 69.3 p -74.22 -33.69 63.45 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 119.1 -1.04 . . . . 34.51 112.095 -177.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -58.66 -45.62 88.97 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 119.384 -0.926 . . . . 40.63 110.028 170.302 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -59.27 -43.41 92.49 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.314 -0.554 . . . . 25.75 111.145 177.103 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 71.0 mt -64.95 -42.82 94.3 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 119.707 -0.797 . . . . 27.37 111.049 177.856 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -52.13 -49.36 63.83 Favored 'General case' 0 C--O 1.241 0.645 0 CA-C-O 121.276 0.56 . . . . 26.88 111.207 172.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 17.1 mt -63.32 -34.76 69.04 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 C-N-CA 119.783 -0.767 . . . . 27.28 110.4 -177.49 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -70.5 -44.69 67.12 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 119.944 -0.703 . . . . 29.47 110.851 178.161 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 54.8 mt -56.38 -35.7 68.02 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.528 -0.469 . . . . 30.69 111.579 177.178 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 43.5 t -60.28 -37.0 79.13 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.085 -0.646 . . . . 33.12 111.006 -178.012 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -76.35 -13.49 60.14 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 113.423 0.897 . . . . 35.04 113.423 -178.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -69.96 126.15 28.85 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 119.091 0.859 . . . . 47.65 112.281 -171.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 51.4 m80 76.79 -48.22 0.54 Allowed 'General case' 0 C--O 1.24 0.586 0 C-N-CA 127.998 2.519 . . . . 67.49 111.06 -179.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.237 0.445 0 C-N-CA 123.39 0.676 . . . . 69.81 112.082 169.305 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' MET . . . . . 0.538 ' O ' ' HB2' ' B' ' 21' ' ' GLU . 1.6 tmt? . . . . . 0 C--O 1.218 -0.589 0 N-CA-C 109.153 -0.684 . . . . 85.77 109.153 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 1.8 m 60.54 111.59 0.02 OUTLIER 'General case' 0 C--O 1.239 0.529 0 N-CA-C 115.58 1.696 . . . . 53.49 115.58 179.198 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.77 135.16 36.59 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 107.619 -1.252 . . . . 34.43 107.619 162.484 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 76.9 mt -123.62 130.09 74.24 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 N-CA-C 108.81 -0.811 . . . . 27.82 108.81 -168.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 24.4 tp -102.93 125.25 49.61 Favored 'General case' 0 C--O 1.245 0.816 0 O-C-N 123.52 0.513 . . . . 24.05 109.95 173.696 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -105.75 138.61 14.38 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.155 -1.178 . . . . 25.55 110.155 169.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 27.1 mm -122.8 136.63 58.99 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.325 0 N-CA-C 107.97 -1.122 . . . . 31.29 107.97 -178.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -122.06 85.91 46.4 Favored Pre-proline 0 C--O 1.241 0.609 0 N-CA-C 108.507 -0.923 . . . . 36.7 108.507 173.452 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' PRO . . . . . 0.843 ' HG2' ' HG3' ' B' ' 85' ' ' ARG . 16.2 Cg_exo -64.94 157.62 55.84 Favored 'Trans proline' 0 C--N 1.328 -0.519 0 CA-C-O 122.447 0.936 . . . . 38.56 112.69 -174.308 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLY . . . . . 0.858 ' O ' ' O ' ' B' ' 201' ' ' HOH . . . -160.03 155.16 26.26 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 114.463 -1.244 . . . . 41.4 110.24 178.053 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.7 p -54.14 -46.6 72.27 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 114.608 -0.796 . . . . 48.25 111.24 174.578 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 12.6 mtp-105 -111.48 -24.8 9.94 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 114.452 1.279 . . . . 69.02 114.452 -175.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 24.0 mt -135.47 132.93 52.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 N-CA-C 108.419 -0.956 . . . . 42.43 108.419 178.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 45.2 m -113.21 114.28 26.52 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 107.813 -1.18 . . . . 33.3 107.813 169.828 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -78.99 153.82 38.48 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 119.857 -1.163 . . . . 29.59 111.49 174.065 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -140.29 147.18 39.54 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.07 -0.715 . . . . 27.7 109.07 173.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -143.25 132.44 5.0 Favored Glycine 0 C--O 1.238 0.392 0 N-CA-C 111.028 -0.829 . . . . 29.04 111.028 173.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 58.6 t -112.83 130.54 66.47 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 N-CA-C 108.223 -1.029 . . . . 26.95 108.223 173.605 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 22.8 m -127.43 154.56 37.92 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 108.087 -1.079 . . . . 28.22 108.087 175.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ARG . . . . . 0.467 ' NH1' ' O ' ' B' ' 202' ' ' HOH . 34.0 ttp-105 -115.55 123.32 48.19 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.291 -0.868 . . . . 37.14 109.115 176.452 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 21' ' ' GLU . . . . . 0.538 ' HB2' ' O ' ' B' ' 1' ' ' MET . 91.0 mt-10 -65.41 133.73 51.97 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 119.818 -0.753 . . . . 48.8 109.723 173.149 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 80.4 p -121.33 167.68 12.49 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.271 -1.011 . . . . 53.79 108.271 166.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.62 -31.61 70.79 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 119.633 -0.827 . . . . 61.54 111.272 170.633 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -76.0 -24.79 55.32 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 112.584 0.587 . . . . 79.29 112.584 175.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.22 -112.0 0.51 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.015 -0.612 . . . . 55.53 111.923 -177.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 18.6 m -139.91 141.25 36.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.148 -0.619 . . . . 41.73 109.664 -179.507 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -110.03 142.6 41.24 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.832 -0.803 . . . . 57.51 108.832 174.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -67.69 133.45 49.34 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.521 -0.763 . . . . 34.57 110.153 173.349 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 93.7 t -112.63 -47.56 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-O 120.607 0.241 . . . . 30.66 111.444 175.007 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -168.5 160.59 11.14 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.373 -0.973 . . . . 29.48 108.373 -178.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 62.4 p -164.78 164.6 21.08 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.432 -1.322 . . . . 30.02 107.432 173.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 167.45 -167.62 40.04 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 110.125 -1.19 . . . . 30.09 110.125 176.218 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 55.8 m -126.65 136.7 52.83 Favored 'General case' 0 CA--C 1.514 -0.417 0 C-N-CA 124.058 0.943 . . . . 46.22 109.622 -178.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 9.7 mt -99.72 113.79 36.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 106.417 -1.697 . . . . 34.69 106.417 167.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' ARG . . . . . 0.416 ' NH2' ' OE1' ' B' ' 137' ' ' GLN . 17.6 mtt85 -98.5 125.64 43.78 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 109.744 -0.465 . . . . 64.64 109.744 -174.058 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 36' ' ' THR . . . . . 0.446 ' HB ' ' HB3' ' B' ' 44' ' ' ARG . 62.5 p -133.32 59.32 1.74 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 121.792 0.806 . . . . 52.42 109.001 -175.845 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -91.76 -27.52 16.69 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 121.124 -0.56 . . . . 58.93 113.9 -179.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -117.97 152.88 34.6 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 117.157 0.478 . . . . 71.75 110.816 -171.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 102.9 173.36 26.57 Favored Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.385 -0.825 . . . . 56.2 113.032 171.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -58.57 145.36 95.32 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 120.32 0.68 . . . . 46.97 110.989 175.309 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.1 tp -53.25 -39.4 63.81 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.681 -0.69 . . . . 50.68 111.862 -176.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -68.47 -36.33 78.82 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 119.872 -0.731 . . . . 41.91 111.667 -178.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -65.15 -37.05 86.16 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 118.539 -1.264 . . . . 44.46 110.796 176.614 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' ARG . . . . . 0.446 ' HB3' ' HB ' ' B' ' 36' ' ' THR . 56.5 mtm-85 -61.71 -45.64 93.1 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 120.882 0.373 . . . . 54.2 111.243 177.334 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 38.0 mt -62.96 -41.9 99.67 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 119.979 -0.689 . . . . 36.0 111.334 177.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' HIS . . . . . 0.716 ' HB2' ' HE3' ' A' ' 93' ' ' MET . 6.4 t-160 -69.9 -31.49 69.3 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 117.485 -1.686 . . . . 29.36 111.92 -175.517 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 78.5 t -59.96 -44.29 94.22 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-O 120.892 0.377 . . . . 33.49 110.598 173.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 78.1 t -58.08 -49.46 81.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 O-C-N 121.817 -0.552 . . . . 30.75 110.393 176.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -58.98 -50.38 74.29 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.349 -0.54 . . . . 25.62 111.198 179.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' ARG . . . . . 0.503 ' NH2' ' O ' ' B' ' 208' ' ' HOH . 20.5 mtm105 -67.09 -36.08 81.19 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 112.086 0.402 . . . . 40.09 112.086 -176.932 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 6.0 m -71.95 -38.82 69.73 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.097 -0.641 . . . . 27.76 111.403 -178.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 28.5 t -63.87 -46.52 94.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 CA-C-O 121.234 0.54 . . . . 27.21 110.019 177.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -53.63 -41.77 67.06 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.601 -0.439 . . . . 39.04 111.613 174.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -75.26 -34.9 61.42 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 118.732 -1.187 . . . . 50.57 110.836 -173.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 45.1 t -58.51 -42.95 85.88 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 O-C-N 121.702 -0.624 . . . . 26.89 110.983 169.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.51 -49.48 80.44 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 O-C-N 121.575 -0.703 . . . . 26.12 110.683 -179.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -63.01 -34.02 76.67 Favored 'General case' 0 C--O 1.238 0.486 0 O-C-N 121.904 -0.498 . . . . 54.1 112.16 -178.07 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 91.8 m -72.91 -41.76 64.23 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 120.426 -0.51 . . . . 27.73 111.691 -179.232 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -113.08 -4.64 13.81 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 114.188 1.181 . . . . 31.04 114.188 -168.514 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 60.33 35.8 89.3 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 119.671 2.629 . . . . 29.6 119.671 173.614 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -66.66 141.59 60.79 Favored 'Trans proline' 0 C--O 1.236 0.4 0 CA-C-N 119.855 1.827 . . . . 30.62 110.487 168.926 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 50.6 p -106.37 -2.93 21.65 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 115.433 -0.803 . . . . 30.75 112.492 176.175 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -131.91 130.65 41.86 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 109.545 -0.539 . . . . 27.55 109.545 -177.048 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 15.8 tp -103.83 130.03 51.36 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.093 -0.706 . . . . 27.81 109.093 173.698 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 32.4 t -113.35 128.98 56.64 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 106.983 -1.488 . . . . 24.05 106.983 174.182 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 30.0 pt -132.22 161.14 41.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-O 121.9 0.857 . . . . 30.44 109.756 176.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -99.83 129.01 45.89 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 114.668 -1.151 . . . . 46.78 110.466 -178.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -58.61 131.96 52.38 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.337 -0.545 . . . . 51.4 110.159 172.106 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 87.0 t -76.67 126.25 37.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 N-CA-C 108.717 -0.846 . . . . 34.38 108.717 170.177 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -102.29 -80.02 0.51 Allowed 'General case' 0 C--O 1.238 0.448 0 C-N-CA 119.149 -1.02 . . . . 33.24 109.657 177.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 32.0 mmt -112.32 108.87 18.21 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 108.503 -0.925 . . . . 39.79 108.503 178.731 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' ALA . . . . . 0.44 ' O ' ' O ' ' B' ' 204' ' ' HOH . . . -76.69 163.82 26.47 Favored 'General case' 0 CA--C 1.515 -0.394 0 N-CA-C 108.163 -1.051 . . . . 33.63 108.163 164.593 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -73.87 -33.66 64.15 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 117.082 -1.847 . . . . 49.01 111.704 -174.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -159.08 177.04 11.53 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 107.293 -1.373 . . . . 41.63 107.293 178.828 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.19 -33.89 75.26 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 119.462 -0.895 . . . . 32.37 111.67 -177.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -65.15 -44.89 87.12 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 119.573 -0.851 . . . . 46.38 111.472 178.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 13.8 m -60.99 -43.61 98.6 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.867 -0.333 . . . . 49.39 111.005 176.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.81 86.97 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 120.722 0.296 . . . . 28.97 111.422 -179.171 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 15.1 tp -66.3 -48.95 68.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.554 0.216 . . . . 33.67 111.212 -179.425 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 48.8 mttm -66.94 -42.81 84.67 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 119.843 -0.743 . . . . 54.27 110.962 -179.193 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 20.4 tp -58.83 -44.18 90.85 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-O 120.921 0.391 . . . . 40.39 111.214 175.068 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -62.65 -41.42 99.82 Favored Glycine 0 C--N 1.337 0.632 0 C-N-CA 119.619 -1.276 . . . . 28.04 111.832 -178.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -61.13 -40.37 93.54 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.089 -0.645 . . . . 42.56 111.345 -179.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.93 -39.04 69.73 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 120.776 -0.37 . . . . 29.39 110.984 178.856 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' ARG . . . . . 0.843 ' HG3' ' HG2' ' B' ' 9' ' ' PRO . 3.5 ttp85 -60.6 -46.88 88.61 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.054 0.454 . . . . 41.33 111.263 175.496 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.08 -41.31 99.68 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 119.689 -1.244 . . . . 26.36 112.356 178.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.75 -37.79 88.78 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.244 -0.582 . . . . 23.49 110.82 -179.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.84 -38.4 70.13 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 120.264 -0.574 . . . . 24.22 111.564 179.122 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' ILE . . . . . 0.45 ' O ' ' HG3' ' B' ' 93' ' ' MET . 52.5 mt -66.62 -46.62 85.58 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 C-N-CA 120.405 -0.518 . . . . 23.31 110.93 -176.866 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 32.0 m -69.22 -25.74 30.22 Favored 'Isoleucine or valine' 0 C--O 1.242 0.693 0 C-N-CA 118.271 -1.372 . . . . 25.61 110.986 -177.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.49 -41.29 89.13 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 121.279 -0.888 . . . . 23.53 110.981 173.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.52 -43.71 98.14 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.14 -0.624 . . . . 24.7 110.668 175.931 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 93' ' ' MET . . . . . 0.45 ' HG3' ' O ' ' B' ' 89' ' ' ILE . 4.0 mtp -72.12 -28.45 63.28 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 112.861 0.689 . . . . 48.54 112.861 -176.666 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -63.76 -33.22 75.18 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 119.481 -0.888 . . . . 35.22 110.764 174.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -82.02 -0.87 46.27 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 112.55 0.574 . . . . 38.1 112.55 176.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 83.57 19.99 60.9 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 115.7 1.04 . . . . 27.72 115.7 175.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 11.0 mp -76.7 142.02 40.67 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 119.052 1.426 . . . . 29.17 109.815 178.622 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 79.4 p -66.49 164.71 15.89 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 119.473 -0.891 . . . . 29.06 109.613 162.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 52.1 t -138.13 123.79 24.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 N-CA-C 108.522 -0.918 . . . . 32.39 108.522 -172.782 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -121.87 138.87 54.23 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 108.324 -0.991 . . . . 29.95 108.324 175.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -116.67 132.17 56.76 Favored 'General case' 0 C--O 1.236 0.37 0 O-C-N 123.464 0.478 . . . . 45.2 109.782 -179.471 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -128.57 141.51 51.35 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.47 -0.937 . . . . 34.74 108.47 -178.578 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 39.3 p -68.82 160.63 30.19 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 120.096 -0.642 . . . . 36.77 110.146 171.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.36 -31.7 45.84 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.451 -0.795 . . . . 34.9 112.252 172.223 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 4.1 m -74.44 -40.75 61.74 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 120.302 -0.559 . . . . 43.25 110.998 -177.81 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -60.59 -40.84 93.23 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 119.983 -0.687 . . . . 43.27 111.294 174.354 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.93 -47.68 92.09 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 C-N-CA 120.051 -0.66 . . . . 31.33 110.257 -179.155 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -67.71 -33.89 75.79 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 119.783 -0.767 . . . . 42.69 111.687 -178.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -65.56 -39.58 91.84 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 120.294 -0.562 . . . . 55.23 111.216 179.512 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -75.58 -33.88 60.62 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 119.826 -0.75 . . . . 36.36 111.766 -176.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 99.2 t -88.56 -45.37 15.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 111.431 0.16 . . . . 40.19 111.431 -174.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 51.7 t -101.65 -32.39 3.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 O-C-N 121.672 -0.642 . . . . 38.27 110.347 -174.731 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.25 -8.9 28.89 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-O 118.898 -0.945 . . . . 45.95 114.837 -177.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 2.0 t -147.63 142.88 27.25 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 119.206 1.503 . . . . 43.94 109.566 176.174 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.29 -13.93 65.72 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 120.668 -0.777 . . . . 36.37 114.586 -170.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -103.07 17.42 52.18 Favored Glycine 0 C--N 1.333 0.391 0 CA-C-N 118.069 0.934 . . . . 39.07 114.872 -178.062 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.66 144.35 57.09 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 117.626 0.713 . . . . 38.74 111.426 -179.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -86.77 179.93 6.67 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.88 0.847 . . . . 65.49 110.36 179.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -66.54 -36.5 82.84 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.94 -0.573 . . . . 69.97 111.831 -171.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -63.74 -47.6 80.39 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.504 -0.478 . . . . 67.56 110.691 -178.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -54.91 -44.1 73.87 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 120.657 -0.417 . . . . 53.24 111.477 175.443 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 70.1 t -61.91 -51.51 71.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 C-N-CA 120.23 -0.588 . . . . 41.78 110.26 -178.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -60.17 -42.66 95.47 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.336 -0.546 . . . . 61.81 111.665 -177.566 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 17.6 mmt -64.1 -44.3 92.72 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.974 -0.29 . . . . 75.57 111.647 178.309 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 68.8 mmm -69.93 -27.7 64.98 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 118.785 -1.166 . . . . 51.13 111.727 -179.522 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 19.2 t -66.68 -40.78 86.93 Favored 'Isoleucine or valine' 0 C--O 1.239 0.529 0 C-N-CA 119.853 -0.739 . . . . 39.34 110.017 174.635 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 127' ' ' MET . . . . . . . . . . . . . 2.6 mtp -73.31 -28.69 62.22 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.153 -0.619 . . . . 63.04 111.897 176.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -70.62 -50.35 37.94 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 119.779 -0.768 . . . . 50.93 110.815 175.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 129' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' B' ' 203' ' ' HOH . 61.4 mt -67.83 -28.42 67.55 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 112.188 0.44 . . . . 42.32 112.188 -174.667 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 94.2 mt -104.44 4.03 32.81 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 122.691 0.396 . . . . 43.17 112.052 -177.463 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 1.7 mptt 54.19 49.37 18.83 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.458 1.103 . . . . 54.48 111.576 176.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 15.4 mt -94.93 139.71 30.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.802 -0.636 . . . . 53.94 110.352 178.083 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 86.0 m -87.3 -40.84 14.13 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.607 -0.724 . . . . 64.53 111.419 169.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 134' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -84.76 124.31 31.41 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 123.3 0.64 . . . . 71.76 109.581 -174.623 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -59.36 114.61 9.73 Favored Pre-proline 0 C--O 1.236 0.387 0 N-CA-C 108.469 -0.937 . . . . 62.26 108.469 170.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -77.66 152.98 29.78 Favored 'Trans proline' 0 C--N 1.326 -0.617 0 CA-C-O 122.016 0.757 . . . . 52.17 110.827 176.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 137' ' ' GLN . . . . . 0.416 ' OE1' ' NH2' ' B' ' 35' ' ' ARG . 3.4 tt0 -54.18 151.22 7.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.854 -1.066 . . . . 68.44 110.148 172.874 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 3.7 mp -63.72 -36.11 75.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 115.822 -0.626 . . . . 48.87 110.756 -167.183 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -69.35 -36.58 77.01 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 119.448 -0.901 . . . . 41.48 111.884 178.927 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -71.97 -35.45 69.54 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.21 -0.596 . . . . 33.98 110.46 176.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 36.1 t -66.54 -46.12 77.15 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-O 120.746 0.308 . . . . 42.04 111.36 178.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -57.91 -44.76 87.0 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.06 0.457 . . . . 39.45 110.765 175.871 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.42 -39.51 93.53 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 119.883 -0.727 . . . . 26.98 111.006 179.661 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 36.2 mt -61.59 -44.0 97.82 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 119.906 -0.717 . . . . 28.44 111.148 174.351 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -56.27 -45.57 80.07 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.93 0.395 . . . . 28.11 111.158 177.067 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 146' ' ' ILE . . . . . . . . . . . . . 21.4 mt -63.67 -39.59 85.93 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 121.986 -0.446 . . . . 30.03 110.559 -179.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.1 -45.97 86.31 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.468 -0.77 . . . . 27.5 111.052 177.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 35.4 mt -60.57 -32.78 71.86 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 121.012 -0.275 . . . . 32.94 111.595 178.448 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 149' ' ' CYS . . . . . . . . . . . . . 42.3 t -59.81 -37.24 78.59 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 119.346 -0.942 . . . . 32.07 111.093 179.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 150' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -74.85 -22.86 58.44 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.287 0.847 . . . . 34.16 113.287 179.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -65.76 137.87 57.55 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.619 0.723 . . . . 41.48 112.525 -173.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 64.7 38.46 6.96 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.231 -0.895 . . . . 56.32 111.486 174.539 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 153' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 107.925 -1.139 . . . . 58.74 107.925 170.256 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . 0.5 ' O ' ' N ' ' A' ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . 0.423 ' O ' ' N ' ' A' ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HOH . . . . . 0.858 ' O ' ' O ' ' B' ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . 0.467 ' O ' ' NH1' ' B' ' 20' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . 0.427 ' O ' ' O ' ' B' ' 129' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 204' ' ' HOH . . . . . 0.44 ' O ' ' O ' ' B' ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 208' ' ' HOH . . . . . 0.503 ' O ' ' NH2' ' B' ' 50' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 254' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 255' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 256' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 257' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 259' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 260' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 261' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 262' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 263' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 205' ' ' HOH . 0.5 OUTLIER . . . . . 0 CA--C 1.538 0.495 0 CA-C-O 121.554 0.693 . . . . 69.15 112.104 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' THR . . . . . 0.625 ' H ' ' HB2' ' A' ' 21' ' ' GLU . 9.6 m -135.99 140.98 44.33 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 108.524 -0.917 . . . . 48.93 108.524 179.717 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.3 mt -93.47 127.0 38.92 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 107.832 -1.173 . . . . 31.4 107.832 166.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 77.1 mt -120.81 130.62 74.41 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.379 0 N-CA-C 108.474 -0.935 . . . . 28.82 108.474 -169.63 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 41.1 tp -101.54 127.1 48.39 Favored 'General case' 0 C--O 1.236 0.377 0 O-C-N 123.724 0.64 . . . . 25.46 109.294 174.001 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -110.1 143.2 16.73 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 109.169 -1.572 . . . . 26.03 109.169 169.253 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.7 mm -131.74 132.59 61.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 N-CA-C 108.709 -0.849 . . . . 30.39 108.709 -173.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -117.16 84.71 17.48 Favored Pre-proline 0 C--O 1.242 0.683 0 C-N-CA 123.133 0.573 . . . . 36.34 110.213 175.958 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -66.85 158.51 56.07 Favored 'Trans proline' 0 C--N 1.326 -0.657 0 CA-C-O 122.725 1.052 . . . . 37.71 113.178 -167.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -169.06 148.09 11.86 Favored Glycine 0 C--O 1.242 0.602 0 CA-C-N 114.563 -1.199 . . . . 38.13 111.271 175.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' SER . . . . . 0.603 ' HB3' ' HB3' ' A' ' 80' ' ' LYS . 2.6 p -55.13 -46.57 75.63 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.064 0.459 . . . . 49.14 111.024 176.026 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ARG . . . . . 1.105 HH21 ' NH2' ' A' ' 44' ' ' ARG . 7.2 mmp_? -92.12 -42.92 9.66 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 112.091 0.404 . . . . 81.69 112.091 -177.355 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.6 mt -135.07 129.74 51.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 N-CA-C 109.406 -0.59 . . . . 41.17 109.406 -175.198 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 50.0 m -114.16 113.17 24.31 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.672 -1.233 . . . . 33.9 107.672 172.22 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -77.28 144.13 29.2 Favored Glycine 0 CA--C 1.52 0.387 0 C-N-CA 119.933 -1.127 . . . . 26.82 110.73 173.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -129.66 151.1 50.63 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 121.484 0.659 . . . . 31.14 109.716 169.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -148.64 135.23 5.36 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 109.846 -1.302 . . . . 25.73 109.846 173.707 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.7 t -119.48 128.71 75.86 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 N-CA-C 108.095 -1.076 . . . . 27.28 108.095 178.011 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.0 m -127.6 158.84 38.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 N-CA-C 108.381 -0.97 . . . . 30.38 108.381 175.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.7 ttp-105 -115.06 119.51 36.7 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.042 -0.981 . . . . 38.46 109.196 179.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.625 ' HB2' ' H ' ' A' ' 2' ' ' THR . 20.3 mt-10 -63.63 108.47 1.41 Allowed 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.039 -0.528 . . . . 58.93 109.929 171.868 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' THR . . . . . 0.42 HG23 ' N ' ' A' ' 25' ' ' GLY . 10.1 t -99.71 166.45 11.1 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.07 -0.715 . . . . 63.59 109.07 166.712 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.8 -21.65 63.38 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 119.63 -0.828 . . . . 62.1 112.253 174.672 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -89.46 1.37 55.97 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 124.216 1.006 . . . . 91.14 112.314 178.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.42 ' N ' HG23 ' A' ' 22' ' ' THR . . . 137.48 -118.49 1.7 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.303 -0.475 . . . . 63.14 113.112 -176.869 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.7 m -143.28 139.41 30.15 Favored 'General case' 0 CA--C 1.512 -0.51 0 N-CA-C 109.022 -0.733 . . . . 49.81 109.022 -178.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -107.88 142.59 37.73 Favored 'General case' 0 C--O 1.235 0.332 0 O-C-N 124.105 0.878 . . . . 50.07 110.084 176.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -71.44 139.23 49.59 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.943 -0.571 . . . . 37.08 110.923 173.698 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 81.0 t -123.04 -56.61 2.64 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 C-N-CA 120.574 -0.451 . . . . 33.2 110.735 176.686 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.11 163.42 33.82 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.392 0.615 . . . . 33.4 109.492 177.926 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 99.0 p -165.66 169.75 14.9 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 107.376 -1.342 . . . . 32.87 107.376 173.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 160.79 -164.52 34.73 Favored Glycine 0 C--O 1.227 -0.298 0 C-N-CA 119.905 -1.141 . . . . 31.9 110.851 176.182 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.429 ' SG ' ' HG2' ' A' ' 137' ' ' GLN . 89.8 m -125.46 135.49 52.39 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 114.771 -0.714 . . . . 38.1 110.281 -175.667 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.0 mt -101.65 111.35 31.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 105.933 -1.877 . . . . 35.0 105.933 171.427 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 62.3 mtt-85 -98.45 119.25 36.82 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 109.498 -0.556 . . . . 53.82 109.498 -174.678 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.6 p -132.28 78.88 1.83 Allowed 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 105.898 -1.89 . . . . 54.29 105.898 177.205 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -98.64 -64.08 0.85 Allowed Glycine 0 C--N 1.336 0.53 0 C-N-CA 120.962 -0.637 . . . . 69.5 113.31 -178.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -83.89 153.45 23.98 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.64 0.733 . . . . 71.22 110.548 -178.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.96 167.34 15.42 Favored Glycine 0 N--CA 1.443 -0.882 0 CA-C-N 115.278 -0.874 . . . . 45.99 112.283 172.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -65.79 153.72 76.92 Favored 'Trans proline' 0 C--N 1.328 -0.526 0 N-CA-C 110.383 -0.66 . . . . 39.2 110.383 173.679 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.0 tp -54.75 -48.28 72.79 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 115.561 -0.745 . . . . 41.56 111.556 -173.193 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 49.5 p-80 -63.05 -33.28 75.1 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 119.745 -0.782 . . . . 38.09 111.678 -174.507 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -68.81 -34.6 75.79 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 118.296 -1.362 . . . . 39.35 111.079 173.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ARG . . . . . 1.105 ' NH2' HH21 ' A' ' 12' ' ' ARG . 25.4 mtp180 -66.47 -42.38 87.59 Favored 'General case' 0 C--O 1.236 0.345 0 O-C-N 122.245 -0.284 . . . . 63.59 111.744 175.362 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.8 mt -66.75 -36.47 82.52 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 118.33 -1.348 . . . . 27.55 110.679 178.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -71.03 -30.3 66.45 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 117.91 -1.516 . . . . 29.69 111.885 -178.236 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 41.4 t -59.37 -47.15 91.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 C-N-CA 120.663 -0.415 . . . . 27.35 110.388 171.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.2 t -58.01 -51.16 74.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 O-C-N 121.967 -0.458 . . . . 25.81 110.769 179.475 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -54.88 -52.28 63.36 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-O 121.177 0.513 . . . . 25.79 111.632 177.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 33.5 mtm105 -68.85 -39.13 80.1 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 120.463 -0.495 . . . . 45.5 111.221 -175.099 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.8 m -67.51 -41.25 84.74 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.436 -0.506 . . . . 27.06 111.398 -179.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 30.7 t -62.3 -45.01 99.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 C-N-CA 120.27 -0.572 . . . . 24.03 110.21 176.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -60.6 -36.61 79.0 Favored 'General case' 0 C--O 1.236 0.356 0 O-C-N 121.813 -0.554 . . . . 38.99 111.022 177.543 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -67.59 -43.28 80.94 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.414 -0.514 . . . . 52.96 111.281 179.396 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.6 t -53.65 -43.73 55.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-O 120.795 0.331 . . . . 27.31 110.622 173.464 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 95.2 mt -70.27 -44.98 77.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 O-C-N 121.942 -0.474 . . . . 29.54 110.565 -174.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -62.91 -34.64 77.86 Favored 'General case' 0 C--O 1.237 0.411 0 O-C-N 122.18 -0.325 . . . . 42.87 111.79 176.454 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 86.9 m -71.42 -51.22 25.11 Favored 'General case' 0 CA--C 1.518 -0.264 0 C-N-CA 119.707 -0.797 . . . . 30.63 111.225 -178.259 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -105.54 -1.96 24.15 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 113.661 0.985 . . . . 30.91 113.661 -166.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.35 27.92 71.5 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 120.287 2.875 . . . . 30.68 120.287 172.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -62.96 142.1 86.71 Favored 'Trans proline' 0 C--O 1.234 0.286 0 CA-C-N 120.517 2.158 . . . . 30.14 111.07 173.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.2 p -108.24 2.94 23.09 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 112.68 0.622 . . . . 31.53 112.68 176.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -136.91 134.31 36.66 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 108.994 -0.743 . . . . 29.96 108.994 -177.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 41.7 tp -102.61 133.91 46.84 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 123.87 0.731 . . . . 29.49 109.206 172.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.7 t -119.22 132.93 55.99 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 106.94 -1.504 . . . . 28.46 106.94 172.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.0 pt -138.71 157.67 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 108.237 -1.023 . . . . 30.76 108.237 -178.34 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -98.35 134.41 41.4 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.122 -0.944 . . . . 43.12 109.653 -179.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -63.54 138.7 58.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.792 -0.64 . . . . 46.15 110.278 174.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.4 t -89.35 117.07 31.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 N-CA-C 107.487 -1.301 . . . . 32.09 107.487 169.641 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -94.98 -66.05 0.94 Allowed 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 109.631 -0.507 . . . . 31.66 109.631 176.703 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 31.0 mmt -117.57 117.41 29.33 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 108.263 -1.014 . . . . 33.08 108.263 176.527 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.85 160.74 27.19 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 119.613 -0.835 . . . . 35.28 108.815 166.485 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.503 ' HG3' ' NH2' ' A' ' 73' ' ' ARG . 11.3 mtm-85 -68.42 -29.61 68.32 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 118.138 -1.425 . . . . 64.21 111.23 -174.327 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -175.15 178.14 1.78 Allowed 'General case' 0 C--O 1.238 0.5 0 N-CA-C 107.235 -1.394 . . . . 34.63 107.235 179.614 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.42 -30.9 47.92 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 113.227 0.825 . . . . 31.01 113.227 -173.513 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -61.86 -47.67 83.99 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 120.004 1.275 . . . . 33.1 109.845 170.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.9 t -56.07 -49.82 72.73 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 116.342 -0.39 . . . . 38.38 111.479 176.37 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.31 -41.99 90.35 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 120.185 -0.606 . . . . 28.45 111.862 -175.503 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 53.0 tp -58.34 -49.56 76.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.878 0.37 . . . . 28.95 110.954 -178.641 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.603 ' HB3' ' HB3' ' A' ' 11' ' ' SER . 23.2 mtmt -71.02 -34.66 71.52 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 120.313 -0.555 . . . . 49.37 111.453 -176.509 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.7 tp -67.13 -42.26 84.75 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 120.448 -0.501 . . . . 33.69 111.529 176.698 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -63.88 -37.54 94.8 Favored Glycine 0 C--N 1.34 0.765 0 C-N-CA 119.408 -1.377 . . . . 26.11 112.711 -179.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -62.29 -47.53 83.9 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.92 -0.753 . . . . 38.91 111.097 179.092 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.25 -41.26 99.04 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 119.779 -0.768 . . . . 27.04 110.584 176.451 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 52.7 ttt-85 -61.61 -43.75 98.28 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 116.555 -0.293 . . . . 38.45 111.622 -178.596 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.468 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -66.53 -39.8 94.07 Favored Glycine 0 C--N 1.336 0.545 0 C-N-CA 119.733 -1.222 . . . . 23.28 112.617 178.102 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.54 -39.16 86.88 Favored 'General case' 0 C--O 1.236 0.367 0 O-C-N 122.167 -0.607 . . . . 24.07 111.551 176.826 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.17 -38.01 63.82 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 121.816 -0.552 . . . . 24.32 111.482 -178.404 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 92.0 mt -71.14 -40.12 74.66 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 C-N-CA 118.913 -1.115 . . . . 26.26 110.725 -175.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 86' ' ' GLY . 16.9 m -73.17 -31.54 35.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 C-N-CA 118.81 -1.156 . . . . 23.47 110.131 -176.048 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -56.75 -50.16 73.08 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 120.256 -0.578 . . . . 22.81 110.879 169.727 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.34 -44.78 76.22 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.05 0.452 . . . . 24.95 110.953 178.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' MET . . . . . 0.716 ' HE3' ' HB2' ' B' ' 46' ' ' HIS . 64.2 mtm -75.58 -30.17 59.55 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 119.717 -0.793 . . . . 45.92 112.681 -174.269 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -59.09 -31.61 69.05 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 119.81 -0.756 . . . . 29.62 111.253 171.958 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -81.6 -2.76 51.33 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 113.01 0.744 . . . . 37.99 113.01 175.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.52 18.09 60.93 Favored Glycine 0 C--N 1.332 0.344 0 N-CA-C 115.396 0.919 . . . . 27.34 115.396 176.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.9 mp -73.29 141.78 47.17 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 118.402 1.101 . . . . 28.83 110.469 177.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.7 p -69.61 160.49 31.45 Favored 'General case' 0 C--O 1.242 0.705 0 C-N-CA 118.655 -1.218 . . . . 29.79 109.223 163.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.8 t -130.6 132.33 64.48 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 108.987 -0.746 . . . . 31.09 108.987 -177.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -131.56 129.94 41.63 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 107.552 -1.277 . . . . 30.64 107.552 178.09 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -110.2 134.74 51.91 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 109.534 -0.543 . . . . 48.6 109.534 179.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -126.78 151.21 48.55 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 123.37 0.668 . . . . 35.86 109.319 177.499 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 18.7 p -77.12 160.13 29.25 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.215 -0.661 . . . . 33.13 109.215 176.107 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.68 -35.0 60.6 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.788 -0.642 . . . . 35.37 111.184 176.403 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 t -74.77 -38.19 62.25 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 120.548 -0.461 . . . . 43.29 111.679 -177.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -61.59 -42.44 98.87 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 119.156 -1.018 . . . . 37.66 110.868 174.04 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 31.4 t -58.97 -44.75 91.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 120.878 0.371 . . . . 34.62 110.19 -179.836 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -73.23 -32.23 64.61 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 119.05 -1.06 . . . . 48.32 112.277 -179.291 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -62.25 -43.92 97.73 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 118.719 0.69 . . . . 48.13 111.248 175.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.77 -31.73 70.96 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.312 -0.555 . . . . 42.53 112.082 -176.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 54.6 t -96.39 -46.2 12.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 112.057 0.391 . . . . 42.28 112.057 -168.677 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 71.7 t -101.12 -26.12 3.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 N-CA-C 109.685 -0.487 . . . . 43.51 109.685 -176.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.54 -10.39 35.61 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-O 118.743 -1.032 . . . . 41.8 114.747 -177.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 6.0 t -146.82 149.38 33.21 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 118.932 1.366 . . . . 43.81 110.171 177.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.72 -18.1 75.57 Favored Glycine 0 C--N 1.335 0.512 0 CA-C-N 115.13 -0.941 . . . . 36.1 115.022 -170.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 204' ' ' HOH . . . -104.49 16.7 48.06 Favored Glycine 0 C--N 1.33 0.24 0 N-CA-C 115.803 1.081 . . . . 44.42 115.803 -175.789 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.82 143.99 45.61 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 117.581 0.691 . . . . 42.04 111.425 -178.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -86.14 175.49 8.49 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 118.192 -1.403 . . . . 64.74 110.949 179.228 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.528 ' HD3' ' H ' ' A' ' 120' ' ' GLN . 0.0 OUTLIER -58.87 -28.57 66.25 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.071 -0.968 . . . . 67.5 111.533 -176.793 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.528 ' H ' ' HD3' ' A' ' 119' ' ' LYS . 12.0 tt0 -69.13 -51.19 40.95 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 120.476 0.179 . . . . 79.82 111.064 -178.216 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -63.14 -37.25 86.48 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.121 -0.632 . . . . 57.63 111.578 -179.162 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 51.9 t -64.25 -49.03 82.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 CA-C-O 121.329 0.585 . . . . 43.37 110.019 -177.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.408 HE21 ' CE ' ' A' ' 124' ' ' MET . 17.9 tt0 -62.24 -33.99 75.66 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 120.136 -0.626 . . . . 63.27 112.042 -179.128 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' MET . . . . . 0.408 ' CE ' HE21 ' A' ' 123' ' ' GLN . 12.7 mmt -74.05 -36.15 64.35 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 119.461 -0.896 . . . . 76.31 112.023 178.084 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 72.6 mmm -73.75 -29.88 62.48 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 119.642 -0.823 . . . . 51.73 111.186 178.289 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 46.2 t -60.52 -46.42 95.49 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-O 121.299 0.571 . . . . 41.6 109.952 170.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 88.3 mtp -67.84 -36.22 79.96 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.354 -0.538 . . . . 54.04 111.44 178.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -67.75 -47.95 67.79 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 119.302 -0.959 . . . . 50.59 111.555 178.926 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 22.0 mt -70.52 -26.88 63.78 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 112.324 0.49 . . . . 42.69 112.324 -172.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 98.5 mt -104.41 7.0 35.44 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 123.44 0.696 . . . . 41.19 112.348 -179.108 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 13.3 mmtm 46.51 49.45 13.47 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 124.07 0.948 . . . . 58.09 111.452 -179.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 33.1 mt -85.21 143.54 28.7 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 115.843 -0.617 . . . . 54.76 109.849 176.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 1.3 t -90.53 -34.21 15.63 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 119.651 -0.819 . . . . 59.02 112.403 173.874 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -102.73 139.14 38.71 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 123.567 0.747 . . . . 62.68 110.47 -174.205 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.79 119.73 39.83 Favored Pre-proline 0 C--O 1.24 0.565 0 N-CA-C 108.965 -0.754 . . . . 69.66 108.965 170.922 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -72.03 152.61 57.24 Favored 'Trans proline' 0 C--N 1.329 -0.487 0 N-CA-C 109.458 -1.016 . . . . 45.94 109.458 170.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.538 ' HG3' ' N ' ' A' ' 138' ' ' ILE . 0.9 OUTLIER -52.4 149.03 6.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.759 0.79 . . . . 64.06 109.275 166.346 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.696 HD12 ' H ' ' A' ' 138' ' ' ILE . 2.7 mp -56.92 -47.01 83.92 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 CA-C-N 114.827 -1.078 . . . . 53.05 111.286 -170.153 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -62.97 -30.81 71.87 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 119.711 -0.795 . . . . 45.98 111.336 178.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -71.15 -42.19 69.47 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 120.007 -0.677 . . . . 31.99 111.175 178.453 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 69.3 p -74.22 -33.69 63.45 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 119.1 -1.04 . . . . 34.51 112.095 -177.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -58.66 -45.62 88.97 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 119.384 -0.926 . . . . 40.63 110.028 170.302 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -59.27 -43.41 92.49 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.314 -0.554 . . . . 25.75 111.145 177.103 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 71.0 mt -64.95 -42.82 94.3 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 119.707 -0.797 . . . . 27.37 111.049 177.856 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -52.13 -49.36 63.83 Favored 'General case' 0 C--O 1.241 0.645 0 CA-C-O 121.276 0.56 . . . . 26.88 111.207 172.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 17.1 mt -63.32 -34.76 69.04 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 C-N-CA 119.783 -0.767 . . . . 27.28 110.4 -177.49 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -70.5 -44.69 67.12 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 119.944 -0.703 . . . . 29.47 110.851 178.161 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 54.8 mt -56.38 -35.7 68.02 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.528 -0.469 . . . . 30.69 111.579 177.178 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 43.5 t -60.28 -37.0 79.13 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.085 -0.646 . . . . 33.12 111.006 -178.012 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -76.35 -13.49 60.14 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 113.423 0.897 . . . . 35.04 113.423 -178.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -69.96 126.15 28.85 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 119.091 0.859 . . . . 47.65 112.281 -171.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 51.4 m80 76.79 -48.22 0.54 Allowed 'General case' 0 C--O 1.24 0.586 0 C-N-CA 127.998 2.519 . . . . 67.49 111.06 -179.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.237 0.445 0 C-N-CA 123.39 0.676 . . . . 69.81 112.082 169.305 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' MET . . . . . 0.538 ' O ' ' HB2' ' B' ' 21' ' ' GLU . 1.6 tmt? . . . . . 0 C--O 1.218 -0.589 0 N-CA-C 109.153 -0.684 . . . . 85.77 109.153 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 1.8 m 60.54 111.59 0.02 OUTLIER 'General case' 0 C--O 1.239 0.529 0 N-CA-C 115.58 1.696 . . . . 53.49 115.58 179.198 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.77 135.16 36.59 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 107.619 -1.252 . . . . 34.43 107.619 162.484 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 76.9 mt -123.62 130.09 74.24 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 N-CA-C 108.81 -0.811 . . . . 27.82 108.81 -168.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 24.4 tp -102.93 125.25 49.61 Favored 'General case' 0 C--O 1.245 0.816 0 O-C-N 123.52 0.513 . . . . 24.05 109.95 173.696 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -105.75 138.61 14.38 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.155 -1.178 . . . . 25.55 110.155 169.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 27.1 mm -122.8 136.63 58.99 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.325 0 N-CA-C 107.97 -1.122 . . . . 31.29 107.97 -178.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -122.06 85.91 46.4 Favored Pre-proline 0 C--O 1.241 0.609 0 N-CA-C 108.507 -0.923 . . . . 36.7 108.507 173.452 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.843 ' HG2' ' HG3' ' B' ' 85' ' ' ARG . 16.2 Cg_exo -64.94 157.62 55.84 Favored 'Trans proline' 0 C--N 1.328 -0.519 0 CA-C-O 122.447 0.936 . . . . 38.56 112.69 -174.308 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.858 ' O ' ' O ' ' B' ' 201' ' ' HOH . . . -160.03 155.16 26.26 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 114.463 -1.244 . . . . 41.4 110.24 178.053 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.7 p -54.14 -46.6 72.27 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 114.608 -0.796 . . . . 48.25 111.24 174.578 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 12.6 mtp-105 -111.48 -24.8 9.94 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 114.452 1.279 . . . . 69.02 114.452 -175.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 24.0 mt -135.47 132.93 52.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 N-CA-C 108.419 -0.956 . . . . 42.43 108.419 178.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 45.2 m -113.21 114.28 26.52 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 107.813 -1.18 . . . . 33.3 107.813 169.828 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -78.99 153.82 38.48 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 119.857 -1.163 . . . . 29.59 111.49 174.065 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -140.29 147.18 39.54 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.07 -0.715 . . . . 27.7 109.07 173.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -143.25 132.44 5.0 Favored Glycine 0 C--O 1.238 0.392 0 N-CA-C 111.028 -0.829 . . . . 29.04 111.028 173.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 58.6 t -112.83 130.54 66.47 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 N-CA-C 108.223 -1.029 . . . . 26.95 108.223 173.605 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 22.8 m -127.43 154.56 37.92 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 108.087 -1.079 . . . . 28.22 108.087 175.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.467 ' NH1' ' O ' ' B' ' 202' ' ' HOH . 34.0 ttp-105 -115.55 123.32 48.19 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.291 -0.868 . . . . 37.14 109.115 176.452 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.538 ' HB2' ' O ' ' B' ' 1' ' ' MET . 91.0 mt-10 -65.41 133.73 51.97 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 119.818 -0.753 . . . . 48.8 109.723 173.149 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 80.4 p -121.33 167.68 12.49 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.271 -1.011 . . . . 53.79 108.271 166.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.62 -31.61 70.79 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 119.633 -0.827 . . . . 61.54 111.272 170.633 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -76.0 -24.79 55.32 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 112.584 0.587 . . . . 79.29 112.584 175.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.22 -112.0 0.51 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.015 -0.612 . . . . 55.53 111.923 -177.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 18.6 m -139.91 141.25 36.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.148 -0.619 . . . . 41.73 109.664 -179.507 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -110.03 142.6 41.24 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.832 -0.803 . . . . 57.51 108.832 174.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -67.69 133.45 49.34 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.521 -0.763 . . . . 34.57 110.153 173.349 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 93.7 t -112.63 -47.56 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-O 120.607 0.241 . . . . 30.66 111.444 175.007 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -168.5 160.59 11.14 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.373 -0.973 . . . . 29.48 108.373 -178.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 62.4 p -164.78 164.6 21.08 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.432 -1.322 . . . . 30.02 107.432 173.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 167.45 -167.62 40.04 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 110.125 -1.19 . . . . 30.09 110.125 176.218 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 55.8 m -126.65 136.7 52.83 Favored 'General case' 0 CA--C 1.514 -0.417 0 C-N-CA 124.058 0.943 . . . . 46.22 109.622 -178.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 9.7 mt -99.72 113.79 36.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 106.417 -1.697 . . . . 34.69 106.417 167.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.416 ' NH2' ' OE1' ' B' ' 137' ' ' GLN . 17.6 mtt85 -98.5 125.64 43.78 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 109.744 -0.465 . . . . 64.64 109.744 -174.058 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' THR . . . . . 0.446 ' HB ' ' HB3' ' B' ' 44' ' ' ARG . 62.5 p -133.32 59.32 1.74 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 121.792 0.806 . . . . 52.42 109.001 -175.845 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -91.76 -27.52 16.69 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 121.124 -0.56 . . . . 58.93 113.9 -179.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -117.97 152.88 34.6 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 117.157 0.478 . . . . 71.75 110.816 -171.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 102.9 173.36 26.57 Favored Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.385 -0.825 . . . . 56.2 113.032 171.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -58.57 145.36 95.32 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 120.32 0.68 . . . . 46.97 110.989 175.309 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.1 tp -53.25 -39.4 63.81 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.681 -0.69 . . . . 50.68 111.862 -176.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -68.47 -36.33 78.82 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 119.872 -0.731 . . . . 41.91 111.667 -178.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -65.15 -37.05 86.16 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 118.539 -1.264 . . . . 44.46 110.796 176.614 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.446 ' HB3' ' HB ' ' B' ' 36' ' ' THR . 56.5 mtm-85 -61.71 -45.64 93.1 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 120.882 0.373 . . . . 54.2 111.243 177.334 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 38.0 mt -62.96 -41.9 99.67 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 119.979 -0.689 . . . . 36.0 111.334 177.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' HIS . . . . . 0.716 ' HB2' ' HE3' ' A' ' 93' ' ' MET . 6.4 t-160 -69.9 -31.49 69.3 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 117.485 -1.686 . . . . 29.36 111.92 -175.517 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 78.5 t -59.96 -44.29 94.22 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-O 120.892 0.377 . . . . 33.49 110.598 173.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 78.1 t -58.08 -49.46 81.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 O-C-N 121.817 -0.552 . . . . 30.75 110.393 176.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -58.98 -50.38 74.29 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.349 -0.54 . . . . 25.62 111.198 179.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.503 ' NH2' ' O ' ' B' ' 208' ' ' HOH . 20.5 mtm105 -67.09 -36.08 81.19 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 112.086 0.402 . . . . 40.09 112.086 -176.932 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 6.0 m -71.95 -38.82 69.73 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.097 -0.641 . . . . 27.76 111.403 -178.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 28.5 t -63.87 -46.52 94.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 CA-C-O 121.234 0.54 . . . . 27.21 110.019 177.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -53.63 -41.77 67.06 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.601 -0.439 . . . . 39.04 111.613 174.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -75.26 -34.9 61.42 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 118.732 -1.187 . . . . 50.57 110.836 -173.809 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 45.1 t -58.51 -42.95 85.88 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 O-C-N 121.702 -0.624 . . . . 26.89 110.983 169.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.51 -49.48 80.44 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 O-C-N 121.575 -0.703 . . . . 26.12 110.683 -179.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -63.01 -34.02 76.67 Favored 'General case' 0 C--O 1.238 0.486 0 O-C-N 121.904 -0.498 . . . . 54.1 112.16 -178.07 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 91.8 m -72.91 -41.76 64.23 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 120.426 -0.51 . . . . 27.73 111.691 -179.232 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -113.08 -4.64 13.81 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 114.188 1.181 . . . . 31.04 114.188 -168.514 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 60.33 35.8 89.3 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 119.671 2.629 . . . . 29.6 119.671 173.614 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -66.66 141.59 60.79 Favored 'Trans proline' 0 C--O 1.236 0.4 0 CA-C-N 119.855 1.827 . . . . 30.62 110.487 168.926 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 50.6 p -106.37 -2.93 21.65 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 115.433 -0.803 . . . . 30.75 112.492 176.175 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -131.91 130.65 41.86 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 109.545 -0.539 . . . . 27.55 109.545 -177.048 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 15.8 tp -103.83 130.03 51.36 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.093 -0.706 . . . . 27.81 109.093 173.698 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 32.4 t -113.35 128.98 56.64 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 106.983 -1.488 . . . . 24.05 106.983 174.182 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 30.0 pt -132.22 161.14 41.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-O 121.9 0.857 . . . . 30.44 109.756 176.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -99.83 129.01 45.89 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 114.668 -1.151 . . . . 46.78 110.466 -178.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -58.61 131.96 52.38 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.337 -0.545 . . . . 51.4 110.159 172.106 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 87.0 t -76.67 126.25 37.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 N-CA-C 108.717 -0.846 . . . . 34.38 108.717 170.177 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -102.29 -80.02 0.51 Allowed 'General case' 0 C--O 1.238 0.448 0 C-N-CA 119.149 -1.02 . . . . 33.24 109.657 177.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 32.0 mmt -112.32 108.87 18.21 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 108.503 -0.925 . . . . 39.79 108.503 178.731 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' ALA . . . . . 0.44 ' O ' ' O ' ' B' ' 204' ' ' HOH . . . -76.69 163.82 26.47 Favored 'General case' 0 CA--C 1.515 -0.394 0 N-CA-C 108.163 -1.051 . . . . 33.63 108.163 164.593 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -73.87 -33.66 64.15 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 117.082 -1.847 . . . . 49.01 111.704 -174.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -159.08 177.04 11.53 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 107.293 -1.373 . . . . 41.63 107.293 178.828 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.19 -33.89 75.26 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 119.462 -0.895 . . . . 32.37 111.67 -177.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -65.15 -44.89 87.12 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 119.573 -0.851 . . . . 46.38 111.472 178.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 13.8 m -60.99 -43.61 98.6 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.867 -0.333 . . . . 49.39 111.005 176.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.81 86.97 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 120.722 0.296 . . . . 28.97 111.422 -179.171 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 15.1 tp -66.3 -48.95 68.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.554 0.216 . . . . 33.67 111.212 -179.425 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 48.8 mttm -66.94 -42.81 84.67 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 119.843 -0.743 . . . . 54.27 110.962 -179.193 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 20.4 tp -58.83 -44.18 90.85 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-O 120.921 0.391 . . . . 40.39 111.214 175.068 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -62.65 -41.42 99.82 Favored Glycine 0 C--N 1.337 0.632 0 C-N-CA 119.619 -1.276 . . . . 28.04 111.832 -178.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -61.13 -40.37 93.54 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.089 -0.645 . . . . 42.56 111.345 -179.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.93 -39.04 69.73 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 120.776 -0.37 . . . . 29.39 110.984 178.856 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' ARG . . . . . 0.843 ' HG3' ' HG2' ' B' ' 9' ' ' PRO . 3.5 ttp85 -60.6 -46.88 88.61 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.054 0.454 . . . . 41.33 111.263 175.496 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.08 -41.31 99.68 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 119.689 -1.244 . . . . 26.36 112.356 178.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.75 -37.79 88.78 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.244 -0.582 . . . . 23.49 110.82 -179.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.84 -38.4 70.13 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 120.264 -0.574 . . . . 24.22 111.564 179.122 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' ILE . . . . . 0.45 ' O ' ' HG3' ' B' ' 93' ' ' MET . 52.5 mt -66.62 -46.62 85.58 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 C-N-CA 120.405 -0.518 . . . . 23.31 110.93 -176.866 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 32.0 m -69.22 -25.74 30.22 Favored 'Isoleucine or valine' 0 C--O 1.242 0.693 0 C-N-CA 118.271 -1.372 . . . . 25.61 110.986 -177.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.49 -41.29 89.13 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 121.279 -0.888 . . . . 23.53 110.981 173.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.52 -43.71 98.14 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.14 -0.624 . . . . 24.7 110.668 175.931 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' MET . . . . . 0.45 ' HG3' ' O ' ' B' ' 89' ' ' ILE . 4.0 mtp -72.12 -28.45 63.28 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 112.861 0.689 . . . . 48.54 112.861 -176.666 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -63.76 -33.22 75.18 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 119.481 -0.888 . . . . 35.22 110.764 174.28 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -82.02 -0.87 46.27 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 112.55 0.574 . . . . 38.1 112.55 176.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . 83.57 19.99 60.9 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 115.7 1.04 . . . . 27.72 115.7 175.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 11.0 mp -76.7 142.02 40.67 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 119.052 1.426 . . . . 29.17 109.815 178.622 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' SER . . . . . . . . . . . . . 79.4 p -66.49 164.71 15.89 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 119.473 -0.891 . . . . 29.06 109.613 162.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 52.1 t -138.13 123.79 24.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 N-CA-C 108.522 -0.918 . . . . 32.39 108.522 -172.782 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -121.87 138.87 54.23 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 108.324 -0.991 . . . . 29.95 108.324 175.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -116.67 132.17 56.76 Favored 'General case' 0 C--O 1.236 0.37 0 O-C-N 123.464 0.478 . . . . 45.2 109.782 -179.471 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -128.57 141.51 51.35 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.47 -0.937 . . . . 34.74 108.47 -178.578 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 39.3 p -68.82 160.63 30.19 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 120.096 -0.642 . . . . 36.77 110.146 171.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.36 -31.7 45.84 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.451 -0.795 . . . . 34.9 112.252 172.223 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 4.1 m -74.44 -40.75 61.74 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 120.302 -0.559 . . . . 43.25 110.998 -177.81 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -60.59 -40.84 93.23 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 119.983 -0.687 . . . . 43.27 111.294 174.354 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.93 -47.68 92.09 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 C-N-CA 120.051 -0.66 . . . . 31.33 110.257 -179.155 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -67.71 -33.89 75.79 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 119.783 -0.767 . . . . 42.69 111.687 -178.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -65.56 -39.58 91.84 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 120.294 -0.562 . . . . 55.23 111.216 179.512 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -75.58 -33.88 60.62 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 119.826 -0.75 . . . . 36.36 111.766 -176.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 99.2 t -88.56 -45.37 15.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 111.431 0.16 . . . . 40.19 111.431 -174.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 51.7 t -101.65 -32.39 3.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 O-C-N 121.672 -0.642 . . . . 38.27 110.347 -174.731 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.25 -8.9 28.89 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-O 118.898 -0.945 . . . . 45.95 114.837 -177.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 2.0 t -147.63 142.88 27.25 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 119.206 1.503 . . . . 43.94 109.566 176.174 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.29 -13.93 65.72 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 120.668 -0.777 . . . . 36.37 114.586 -170.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -103.07 17.42 52.18 Favored Glycine 0 C--N 1.333 0.391 0 CA-C-N 118.069 0.934 . . . . 39.07 114.872 -178.062 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.66 144.35 57.09 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 117.626 0.713 . . . . 38.74 111.426 -179.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -86.77 179.93 6.67 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.88 0.847 . . . . 65.49 110.36 179.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -66.54 -36.5 82.84 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.94 -0.573 . . . . 69.97 111.831 -171.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -63.74 -47.6 80.39 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.504 -0.478 . . . . 67.56 110.691 -178.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -54.91 -44.1 73.87 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 120.657 -0.417 . . . . 53.24 111.477 175.443 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 70.1 t -61.91 -51.51 71.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 C-N-CA 120.23 -0.588 . . . . 41.78 110.26 -178.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -60.17 -42.66 95.47 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.336 -0.546 . . . . 61.81 111.665 -177.566 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' MET . . . . . . . . . . . . . 17.6 mmt -64.1 -44.3 92.72 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.974 -0.29 . . . . 75.57 111.647 178.309 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 125' ' ' MET . . . . . . . . . . . . . 68.8 mmm -69.93 -27.7 64.98 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 118.785 -1.166 . . . . 51.13 111.727 -179.522 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 19.2 t -66.68 -40.78 86.93 Favored 'Isoleucine or valine' 0 C--O 1.239 0.529 0 C-N-CA 119.853 -0.739 . . . . 39.34 110.017 174.635 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 127' ' ' MET . . . . . . . . . . . . . 2.6 mtp -73.31 -28.69 62.22 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.153 -0.619 . . . . 63.04 111.897 176.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -70.62 -50.35 37.94 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 119.779 -0.768 . . . . 50.93 110.815 175.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 129' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' B' ' 203' ' ' HOH . 61.4 mt -67.83 -28.42 67.55 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 112.188 0.44 . . . . 42.32 112.188 -174.667 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 94.2 mt -104.44 4.03 32.81 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 122.691 0.396 . . . . 43.17 112.052 -177.463 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 1.7 mptt 54.19 49.37 18.83 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.458 1.103 . . . . 54.48 111.576 176.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 15.4 mt -94.93 139.71 30.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.802 -0.636 . . . . 53.94 110.352 178.083 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 86.0 m -87.3 -40.84 14.13 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.607 -0.724 . . . . 64.53 111.419 169.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 134' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -84.76 124.31 31.41 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 123.3 0.64 . . . . 71.76 109.581 -174.623 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -59.36 114.61 9.73 Favored Pre-proline 0 C--O 1.236 0.387 0 N-CA-C 108.469 -0.937 . . . . 62.26 108.469 170.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -77.66 152.98 29.78 Favored 'Trans proline' 0 C--N 1.326 -0.617 0 CA-C-O 122.016 0.757 . . . . 52.17 110.827 176.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 137' ' ' GLN . . . . . 0.416 ' OE1' ' NH2' ' B' ' 35' ' ' ARG . 3.4 tt0 -54.18 151.22 7.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.854 -1.066 . . . . 68.44 110.148 172.874 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 3.7 mp -63.72 -36.11 75.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 115.822 -0.626 . . . . 48.87 110.756 -167.183 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -69.35 -36.58 77.01 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 119.448 -0.901 . . . . 41.48 111.884 178.927 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -71.97 -35.45 69.54 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.21 -0.596 . . . . 33.98 110.46 176.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 36.1 t -66.54 -46.12 77.15 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-O 120.746 0.308 . . . . 42.04 111.36 178.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -57.91 -44.76 87.0 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.06 0.457 . . . . 39.45 110.765 175.871 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.42 -39.51 93.53 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 119.883 -0.727 . . . . 26.98 111.006 179.661 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 36.2 mt -61.59 -44.0 97.82 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 119.906 -0.717 . . . . 28.44 111.148 174.351 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -56.27 -45.57 80.07 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.93 0.395 . . . . 28.11 111.158 177.067 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 146' ' ' ILE . . . . . . . . . . . . . 21.4 mt -63.67 -39.59 85.93 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 121.986 -0.446 . . . . 30.03 110.559 -179.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.1 -45.97 86.31 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.468 -0.77 . . . . 27.5 111.052 177.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 35.4 mt -60.57 -32.78 71.86 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 121.012 -0.275 . . . . 32.94 111.595 178.448 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 149' ' ' CYS . . . . . . . . . . . . . 42.3 t -59.81 -37.24 78.59 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 119.346 -0.942 . . . . 32.07 111.093 179.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 150' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -74.85 -22.86 58.44 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.287 0.847 . . . . 34.16 113.287 179.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -65.76 137.87 57.55 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.619 0.723 . . . . 41.48 112.525 -173.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 152' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 64.7 38.46 6.96 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.231 -0.895 . . . . 56.32 111.486 174.539 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 153' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 107.925 -1.139 . . . . 58.74 107.925 170.256 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . 0.5 ' O ' ' N ' ' A' ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . 0.423 ' O ' ' N ' ' A' ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' HOH . . . . . 0.858 ' O ' ' O ' ' B' ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . 0.467 ' O ' ' NH1' ' B' ' 20' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . 0.427 ' O ' ' O ' ' B' ' 129' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' HOH . . . . . 0.44 ' O ' ' O ' ' B' ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 208' ' ' HOH . . . . . 0.503 ' O ' ' NH2' ' B' ' 50' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 254' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 255' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 256' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 257' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 259' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 260' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 261' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 262' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 263' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_