data_6iwn_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 6iwn _Structure_validation_residue.Date_analyzed 2019-12-06 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 ' 2' ' ' VAL . . . . . . . . . . . . . 8.1 p . . . . . 0 CA--C 1.532 0.277 0 CA-C-O 120.76 0.314 . . . . 67.62 110.429 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.3 p -140.08 160.24 40.38 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.267 -0.642 . . . . 59.44 109.267 -178.277 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 16.0 m -60.55 -27.29 67.54 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.238 -0.892 . . . . 63.81 112.212 -178.805 -81.781 0.477 -94.923 103.796 2.031 103.735 -55.803 -70.448 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.42 -41.93 50.52 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 119.563 -1.303 . . . . 67.41 113.145 -178.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -66.7 -35.84 81.08 Favored 'General case' 0 CA--C 1.521 -0.149 0 C-N-CA 118.805 -1.158 . . . . 84.23 110.802 174.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 19.4 t -60.12 -45.56 95.62 Favored 'Isoleucine or valine' 0 C--O 1.241 0.625 0 CA-C-O 121.262 0.553 . . . . 61.61 110.03 176.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ASP . . . . . 0.513 ' OD1' ' NH2' ' A' ' 58' ' ' ARG . 84.6 m-20 -57.01 -44.38 82.74 Favored 'General case' 0 C--O 1.238 0.499 0 O-C-N 122.119 -0.363 . . . . 66.06 110.804 175.171 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.67 -43.45 98.77 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.694 -0.402 . . . . 65.23 110.88 -179.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -63.66 -38.63 91.84 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 120.596 0.236 . . . . 67.7 111.288 -177.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 81.5 mt -92.81 -9.66 39.64 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 114.077 1.14 . . . . 60.57 114.077 -173.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.43 -47.0 84.58 Favored Pre-proline 0 C--O 1.241 0.632 0 N-CA-C 113.998 1.11 . . . . 68.84 113.998 177.438 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -69.67 -8.9 24.79 Favored 'Trans proline' 0 C--O 1.238 0.493 0 CA-C-N 121.523 1.58 . . . . 63.27 114.266 178.429 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 77.7 m -87.48 -8.72 56.11 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 119.063 0.847 . . . . 57.92 112.756 174.811 -60.847 -68.224 98.936 104.393 2.031 103.86 55.032 172.057 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 73.5 t -57.26 -46.29 99.84 Favored Pre-proline 0 C--O 1.244 0.764 0 CA-C-O 118.549 -0.738 . . . . 66.16 112.412 -177.674 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -56.51 -49.64 14.29 Favored 'Trans proline' 0 N--CA 1.476 0.444 0 CA-C-N 121.114 1.433 . . . . 65.29 113.164 176.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -61.44 -41.34 97.04 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.409 -0.516 . . . . 62.92 111.69 177.374 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.3 mt -74.33 -16.92 60.9 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 112.921 0.711 . . . . 64.55 112.921 -174.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.2 p -112.14 -20.36 11.94 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 114.074 1.139 . . . . 70.48 114.074 -178.63 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -122.1 -5.63 8.95 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 113.495 0.924 . . . . 74.85 113.495 -178.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.6 -163.71 44.56 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-O 122.279 0.933 . . . . 63.06 112.064 -179.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.97 -122.24 7.35 Favored Glycine 0 N--CA 1.449 -0.477 0 CA-C-N 114.806 -0.697 . . . . 57.51 113.248 179.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -130.62 145.2 56.53 Favored Pre-proline 0 C--O 1.235 0.342 0 C-N-CA 124.259 1.024 . . . . 58.97 108.909 179.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -66.02 -44.88 6.71 Favored 'Trans proline' 0 C--O 1.238 0.494 0 N-CA-C 113.74 0.631 . . . . 60.06 113.74 -175.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.16 168.53 33.16 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-O 122.493 1.052 . . . . 61.3 112.567 177.295 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.57 85.72 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 114.244 -0.978 . . . . 63.97 112.083 -175.393 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.5 -42.4 82.95 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 119.911 -0.716 . . . . 64.32 111.438 -175.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.8 t -57.93 -51.17 70.73 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 120.689 0.28 . . . . 69.35 111.389 176.676 172.057 55.032 98.936 103.86 2.031 104.393 -68.224 -60.847 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 84.1 m -64.32 -35.93 82.46 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.339 -0.544 . . . . 64.62 111.467 -178.227 -67.478 -50.625 -80.165 104.738 2.039 105.371 -60.2 -71.332 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.9 m -63.92 -44.36 93.14 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 119.808 -0.757 . . . . 71.25 111.091 176.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.43 -41.95 99.66 Favored Glycine 0 C--N 1.336 0.56 0 C-N-CA 120.003 -1.094 . . . . 66.62 112.647 176.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.9 t -65.05 -37.74 81.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 O-C-N 122.342 -0.504 . . . . 65.1 110.455 179.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -63.85 -46.65 84.05 Favored 'General case' 0 C--O 1.238 0.483 0 O-C-N 121.863 -0.523 . . . . 88.25 111.169 176.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.6 m -53.19 -49.35 66.9 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.703 -0.399 . . . . 74.09 111.268 174.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.8 tp -65.22 -44.46 88.2 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.495 -0.482 . . . . 74.33 111.541 -176.849 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -57.91 -32.47 67.78 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.707 -0.397 . . . . 79.09 111.537 175.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -74.13 -33.39 57.08 Favored Glycine 0 C--N 1.336 0.548 0 C-N-CA 120.027 -1.082 . . . . 87.21 112.573 179.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -78.06 -10.56 59.67 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 112.488 0.551 . . . . 90.46 112.488 175.145 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -109.47 66.41 0.63 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.86 0.838 . . . . 79.89 109.32 -179.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -91.04 -46.7 7.99 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.62 -0.718 . . . . 74.63 112.217 -177.003 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.3 p -85.78 161.11 51.48 Favored Pre-proline 0 C--O 1.235 0.299 0 C-N-CA 123.619 0.768 . . . . 77.4 110.638 -177.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -63.78 -36.01 53.72 Favored 'Trans proline' 0 C--O 1.238 0.499 0 N-CA-C 113.886 0.687 . . . . 74.52 113.886 179.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -61.03 -51.86 67.41 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 121.142 0.496 . . . . 71.36 111.155 176.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -54.37 -39.97 67.67 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.368 -0.378 . . . . 66.99 111.121 174.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -68.56 -39.77 80.89 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 121.029 -0.268 . . . . 87.59 111.284 -175.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.8 mttm -66.7 -42.64 86.12 Favored 'General case' 0 C--O 1.245 0.858 0 C-N-CA 120.194 -0.602 . . . . 74.62 111.292 176.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.3 m -61.83 -49.54 75.88 Favored 'General case' 0 C--O 1.243 0.737 0 C-N-CA 120.293 -0.563 . . . . 57.36 111.071 178.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.71 -37.46 76.16 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.376 -0.374 . . . . 54.21 111.077 177.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 44.0 t -62.28 -44.91 95.45 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.175 -0.61 . . . . 57.71 111.094 -179.567 176.695 -84.721 -74.242 102.818 2.031 102.455 -70.39 -63.036 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -67.93 -39.21 83.53 Favored 'General case' 0 C--O 1.245 0.846 0 C-N-CA 118.342 -1.343 . . . . 53.58 111.154 -179.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 87.7 m -57.3 -44.46 84.1 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 120.486 -0.486 . . . . 54.3 111.309 174.692 -70.448 -55.803 -94.923 103.735 2.031 103.796 0.477 -81.781 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 8.6 mt -69.0 -37.45 77.22 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 CA-C-N 116.6 -0.273 . . . . 58.79 111.275 -177.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.5 tttt -56.88 -45.8 82.31 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 119.864 -0.734 . . . . 64.08 110.731 173.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.46 -49.88 75.8 Favored 'General case' 0 C--O 1.244 0.802 0 C-N-CA 119.918 -0.713 . . . . 56.41 111.186 177.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.6 -42.14 82.62 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.51 -0.476 . . . . 62.06 111.452 -179.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.09 -37.77 88.57 Favored 'General case' 0 C--O 1.237 0.415 0 O-C-N 122.202 -0.311 . . . . 63.97 111.294 179.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -75.02 -11.58 60.13 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.034 -0.666 . . . . 70.48 112.672 -179.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ARG . . . . . 0.513 ' NH2' ' OD1' ' A' ' 8' ' ' ASP . 56.7 mtm-85 -63.03 -15.95 58.19 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 113.269 0.841 . . . . 88.21 113.269 175.413 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -127.05 112.13 21.76 Favored Pre-proline 0 C--O 1.248 1.01 0 CA-C-N 119.046 0.839 . . . . 81.35 111.416 -176.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -69.15 -24.32 32.59 Favored 'Trans proline' 0 C--O 1.238 0.504 0 CA-C-N 118.831 0.618 . . . . 85.57 113.639 170.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 3.5 p-10 -75.92 3.06 10.92 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 113.392 0.886 . . . . 88.86 113.392 177.252 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.0 tp -62.03 139.88 58.4 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 118.719 0.69 . . . . 72.93 111.058 -175.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -97.8 119.63 36.74 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 108.963 -0.754 . . . . 74.62 108.963 179.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -65.4 -29.26 69.94 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 120.162 -0.615 . . . . 85.93 111.906 -178.027 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -71.81 -36.52 70.28 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 119.215 -0.994 . . . . 71.14 111.317 -178.896 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.85 -45.57 91.98 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 120.438 -0.505 . . . . 53.01 111.292 173.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.14 -40.27 95.39 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 120.821 -0.352 . . . . 55.02 111.448 178.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -75.17 -26.7 59.27 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 112.339 0.496 . . . . 64.46 112.339 -177.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.8 p -96.63 -11.29 25.46 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 113.793 1.035 . . . . 56.95 113.793 -178.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.3 tt -51.05 -49.71 79.42 Favored Pre-proline 0 C--O 1.241 0.645 0 N-CA-C 113.997 1.11 . . . . 51.83 113.997 178.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -60.45 -40.75 54.7 Favored 'Trans proline' 0 C--O 1.239 0.546 0 CA-C-N 121.493 1.569 . . . . 56.87 113.499 -173.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.4 p -76.95 -31.52 56.66 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.138 -0.625 . . . . 54.62 111.819 177.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 53.6 mttm -65.68 -28.87 69.4 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.393 -0.523 . . . . 55.14 111.657 174.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 72.8 m -96.27 -5.66 39.72 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 113.247 0.832 . . . . 57.23 113.247 175.582 -71.332 -60.2 -80.165 105.371 2.039 104.738 -50.625 -67.478 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.42 42.33 95.96 Favored Glycine 0 C--O 1.238 0.374 0 C-N-CA 120.554 -0.832 . . . . 74.95 114.555 -179.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 44.3 mt -129.2 142.38 44.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 N-CA-C 108.958 -0.756 . . . . 69.79 108.958 -178.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.3 t -84.72 88.96 7.41 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 105.509 -2.034 . . . . 83.42 105.509 171.666 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.4 tp -73.82 112.83 10.31 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.557 -0.747 . . . . 74.67 109.906 -177.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 56.5 m-20 -71.72 -18.74 62.13 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 119.767 -0.773 . . . . 81.65 112.062 178.425 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.8 m -118.66 115.86 35.14 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 108.228 -1.027 . . . . 83.9 108.228 -178.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -74.88 153.98 42.78 Favored 'Trans proline' 0 CA--C 1.516 -0.408 0 CA-C-N 119.058 0.699 . . . . 69.0 111.548 179.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 6.5 mt -104.83 102.63 14.08 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 N-CA-C 106.738 -1.579 . . . . 60.11 106.738 -179.605 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -150.35 152.69 34.81 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.148 -1.056 . . . . 66.27 108.148 178.619 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 69.9 mtm180 -79.02 -15.03 58.8 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.389 -0.823 . . . . 88.76 112.934 176.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.3 p -122.93 11.31 9.6 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 113.441 0.904 . . . . 72.22 113.441 -171.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.0 tt -64.78 140.61 19.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-N 118.768 0.713 . . . . 70.32 110.29 179.035 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -97.56 107.06 19.48 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 106.64 -1.615 . . . . 81.9 106.64 169.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 73.1 m -71.31 -7.21 45.52 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 113.824 1.046 . . . . 69.9 113.824 -170.403 -63.036 -70.39 -74.242 102.455 2.031 102.818 -84.721 176.695 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -68.52 -23.22 64.52 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 118.957 0.799 . . . . 77.1 112.152 175.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' THR . . . . . 0.468 ' O ' ' NZ ' ' B' ' 73' ' ' LYS . 66.7 p -72.04 -24.79 61.6 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 120.314 -0.554 . . . . 79.08 111.722 179.55 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.9 mm . . . . . 0 C--N 1.329 -0.287 0 N-CA-C 109.586 -0.524 . . . . 83.37 109.586 -178.703 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 6.1 p . . . . . 0 CA--C 1.532 0.277 0 N-CA-C 109.88 -0.415 . . . . 69.71 109.88 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 17.4 p -140.02 159.92 41.09 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.085 -0.709 . . . . 61.58 109.085 -178.244 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' CYS . . . . . . . . . . . . . 19.8 m -60.31 -27.96 67.73 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.39 -0.823 . . . . 55.91 111.93 -177.301 -80.686 1.694 -93.964 104.138 2.03 104.769 -54.881 -70.594 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.0 -38.52 59.86 Favored Glycine 0 C--N 1.334 0.458 0 C-N-CA 119.971 -1.109 . . . . 53.15 111.747 179.489 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -65.28 -38.68 91.03 Favored 'General case' 0 C--O 1.236 0.38 0 O-C-N 122.457 -0.437 . . . . 77.77 111.305 174.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 15.7 t -61.33 -47.04 95.28 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 CA-C-O 121.144 0.497 . . . . 51.17 110.26 176.529 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -58.64 -45.71 88.69 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 120.733 -0.387 . . . . 54.12 111.499 177.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.34 -46.44 80.24 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 120.293 -0.563 . . . . 54.73 111.496 -177.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -65.6 -33.04 74.97 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.764 -0.374 . . . . 61.31 111.978 -178.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 87.1 mt -91.6 -9.47 43.99 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 118.804 -1.159 . . . . 52.03 113.843 -178.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.56 -47.16 85.04 Favored Pre-proline 0 C--O 1.241 0.644 0 N-CA-C 113.808 1.04 . . . . 54.35 113.808 176.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -69.58 -8.4 23.5 Favored 'Trans proline' 0 C--O 1.239 0.563 0 CA-C-N 121.492 1.568 . . . . 54.94 114.255 177.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 79.2 m -87.84 -8.59 55.67 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 113.358 0.873 . . . . 53.01 113.358 175.531 -60.57 -66.272 99.529 103.261 2.029 102.76 55.317 170.697 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 74.6 t -57.01 -45.19 99.98 Favored Pre-proline 0 C--O 1.243 0.73 0 CA-C-O 118.517 -0.754 . . . . 61.45 112.599 -177.076 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -55.86 -50.51 12.22 Favored 'Trans proline' 0 C--O 1.239 0.555 0 CA-C-N 121.033 1.405 . . . . 65.25 113.592 177.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -61.27 -39.73 91.46 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 119.853 -0.739 . . . . 62.92 111.152 176.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 65.3 mt -73.06 -16.12 61.49 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 112.746 0.647 . . . . 63.29 112.746 -174.275 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 51.2 p -112.01 -23.17 10.65 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 114.174 1.176 . . . . 68.5 114.174 -179.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -123.48 -5.25 8.22 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 114.017 1.118 . . . . 92.07 114.017 179.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.29 -164.05 45.45 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-O 122.415 1.008 . . . . 71.34 113.222 178.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.29 -122.9 7.61 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 114.587 -0.806 . . . . 64.3 113.09 179.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -130.63 139.22 34.96 Favored Pre-proline 0 C--O 1.238 0.45 0 CA-C-N 116.884 0.342 . . . . 66.75 110.335 178.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -72.22 137.33 28.44 Favored 'Trans proline' 0 C--N 1.332 -0.297 0 C-N-CA 120.06 0.507 . . . . 61.08 110.915 178.058 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.12 170.9 46.75 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-O 122.324 0.958 . . . . 55.68 112.149 177.174 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.53 -42.96 88.99 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 114.76 -0.72 . . . . 52.69 111.213 -178.158 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.27 -39.24 92.34 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.799 -0.36 . . . . 52.34 111.207 -177.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' CYS . . . . . . . . . . . . . 17.1 t -56.26 -51.9 66.45 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-O 120.875 0.369 . . . . 51.7 111.194 175.234 170.697 55.317 99.529 102.76 2.029 103.261 -66.272 -60.57 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 90.1 m -64.26 -35.34 80.51 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.542 -0.463 . . . . 54.2 111.292 -178.209 -66.731 -51.419 -80.483 104.53 2.035 104.258 -64.926 -74.646 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 22.7 t -63.87 -44.6 92.59 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 120.03 -0.668 . . . . 51.21 111.249 176.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.54 -40.81 98.3 Favored Glycine 0 C--N 1.335 0.475 0 C-N-CA 120.01 -1.09 . . . . 54.22 112.281 176.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 70.4 t -65.22 -39.5 85.65 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 O-C-N 122.325 -0.514 . . . . 53.53 110.869 -179.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -65.25 -44.22 88.83 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 119.939 -0.704 . . . . 66.49 110.85 176.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 78.0 m -51.88 -48.75 63.94 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 121.092 0.472 . . . . 63.54 111.148 173.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 18.6 mt -63.59 -42.65 98.26 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.487 -0.485 . . . . 58.03 111.053 -178.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -56.86 -34.71 68.09 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.512 -0.475 . . . . 67.48 111.442 174.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.1 -33.47 45.05 Favored Glycine 0 C--N 1.336 0.541 0 N-CA-C 115.227 0.851 . . . . 60.77 115.227 -179.248 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -77.86 -9.85 59.27 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 113.89 1.07 . . . . 69.83 113.89 179.226 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -106.58 71.86 0.88 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.868 0.842 . . . . 53.67 109.526 -176.058 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -87.08 -46.18 10.04 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.396 -0.82 . . . . 79.12 112.145 -176.259 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 94.4 p -87.56 161.44 45.23 Favored Pre-proline 0 C--N 1.326 -0.451 0 C-N-CA 120.294 -0.562 . . . . 56.73 110.674 -179.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -63.14 -34.31 69.49 Favored 'Trans proline' 0 C--O 1.239 0.535 0 N-CA-C 113.102 0.385 . . . . 56.21 113.102 176.059 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -60.24 -48.15 82.95 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 120.343 -0.543 . . . . 64.53 110.458 173.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -52.94 -41.49 64.53 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 116.568 -0.287 . . . . 58.01 110.998 174.078 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 93.9 mtm-85 -69.64 -39.7 76.96 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 119.56 -0.856 . . . . 53.92 111.463 -175.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 22.8 mttp -67.22 -40.5 86.4 Favored 'General case' 0 C--O 1.243 0.727 0 C-N-CA 119.565 -0.854 . . . . 63.3 111.169 178.112 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 13.9 m -61.03 -49.42 77.46 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-O 121.079 0.466 . . . . 53.87 110.682 177.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.09 -37.91 78.25 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.416 -0.356 . . . . 48.57 111.175 176.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 44.4 t -62.44 -44.93 95.23 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.457 -0.497 . . . . 50.47 111.152 -179.133 176.61 -85.67 -77.006 104.645 2.038 104.444 -75.204 -66.554 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -68.94 -40.02 79.2 Favored 'General case' 0 C--O 1.243 0.751 0 C-N-CA 118.967 -1.093 . . . . 50.43 111.321 -179.817 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 85.4 m -57.76 -44.07 85.9 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 120.307 -0.557 . . . . 50.22 111.169 174.321 -70.594 -54.881 -93.964 104.769 2.03 104.138 1.694 -80.686 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 2.1 mm -67.7 -38.07 79.71 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 CA-C-O 120.916 0.388 . . . . 56.94 110.207 -177.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 49.2 tttt -56.54 -46.15 80.8 Favored 'General case' 0 C--O 1.238 0.478 0 O-C-N 122.019 -0.425 . . . . 57.29 110.881 173.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.07 -50.38 73.95 Favored 'General case' 0 C--O 1.242 0.66 0 C-N-CA 120.141 -0.623 . . . . 52.63 110.937 177.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.03 -41.66 83.68 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.557 -0.457 . . . . 55.52 111.477 -179.674 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.06 -38.3 90.36 Favored 'General case' 0 C--O 1.238 0.451 0 O-C-N 122.183 -0.323 . . . . 58.26 111.165 179.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -75.57 -9.34 58.5 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 112.602 0.593 . . . . 59.69 112.602 178.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -61.44 -23.77 66.08 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 112.71 0.633 . . . . 71.04 112.71 179.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -135.09 111.56 11.03 Favored Pre-proline 0 C--O 1.238 0.483 0 O-C-N 121.785 -0.572 . . . . 70.82 110.027 179.923 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -66.28 -19.89 55.86 Favored 'Trans proline' 0 C--O 1.238 0.492 0 CA-C-N 119.498 0.856 . . . . 84.32 113.682 173.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' ASN . . . . . 0.551 ' N ' ' OD1' ' B' ' 61' ' ' ASN . 1.7 p-10 -70.2 -3.13 15.45 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 118.906 0.775 . . . . 79.94 112.692 176.149 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 tt -68.95 142.1 54.79 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 121.003 0.43 . . . . 70.71 110.349 -179.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . . . -96.88 121.11 38.38 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 108.337 -0.986 . . . . 66.26 108.337 177.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -63.78 -31.4 72.57 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.562 -0.455 . . . . 74.96 111.936 -176.003 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -73.16 -33.98 65.77 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 119.909 -0.716 . . . . 80.9 111.614 -179.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.68 -42.58 97.37 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 119.883 -0.727 . . . . 64.64 110.499 171.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.57 -40.27 94.12 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.837 -0.345 . . . . 58.99 111.325 176.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -73.78 -26.25 60.55 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.552 -0.459 . . . . 66.55 112.157 -178.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 4.3 m -94.86 -11.41 28.84 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 113.109 0.781 . . . . 67.25 113.109 -177.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 5.2 tt -50.92 -51.81 63.66 Favored Pre-proline 0 C--O 1.241 0.638 0 N-CA-C 113.424 0.898 . . . . 58.04 113.424 179.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -61.63 -39.3 55.15 Favored 'Trans proline' 0 C--O 1.238 0.507 0 CA-C-N 121.348 1.517 . . . . 63.51 113.768 -174.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 14.8 p -76.41 -32.49 58.53 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.276 -0.569 . . . . 75.53 112.338 179.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' LYS . . . . . 0.468 ' NZ ' ' O ' ' A' ' 90' ' ' THR . 46.6 mttm -64.04 -28.0 69.5 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 119.465 -0.894 . . . . 70.18 111.0 172.392 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 57.7 m -90.76 -5.06 56.19 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 123.13 0.572 . . . . 64.56 112.348 175.147 -74.646 -64.926 -80.483 104.258 2.035 104.53 -51.419 -66.731 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 64.91 38.24 95.27 Favored Glycine 0 C--O 1.238 0.398 0 N-CA-C 114.517 0.567 . . . . 73.7 114.517 179.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 5.1 tp -132.92 141.99 43.45 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 N-CA-C 108.133 -1.062 . . . . 75.86 108.133 177.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 47.1 t -87.01 95.06 9.8 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 108.679 -0.86 . . . . 87.01 108.679 173.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 12.2 tp -71.28 117.09 12.37 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.586 -0.524 . . . . 57.79 109.586 177.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 39.3 p30 -68.16 -12.92 61.76 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 113.113 0.783 . . . . 64.54 113.113 179.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 21.2 t -119.8 125.41 27.42 Favored Pre-proline 0 C--O 1.233 0.232 0 CA-C-N 118.867 0.758 . . . . 57.94 110.218 -179.214 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -73.14 151.78 49.88 Favored 'Trans proline' 0 C--O 1.234 0.318 0 CA-C-N 119.608 0.896 . . . . 54.78 112.502 179.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 8.4 mt -107.37 107.17 22.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 N-CA-C 107.577 -1.268 . . . . 56.06 107.577 179.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 19.2 t -148.22 151.64 35.84 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 119.95 -0.7 . . . . 53.61 110.114 179.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' ARG . . . . . . . . . . . . . 43.7 mtm180 -81.62 -20.34 39.92 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.521 -0.763 . . . . 88.49 112.669 175.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 3.3 p -125.46 9.13 7.79 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 113.182 0.808 . . . . 89.42 113.182 -171.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 2.6 tt -65.25 143.09 16.07 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 CA-C-O 121.566 0.698 . . . . 58.89 109.985 179.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -94.54 106.14 18.11 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 105.263 -2.125 . . . . 58.86 105.263 168.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 91.6 m -67.51 -7.05 22.74 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 113.207 0.817 . . . . 53.42 113.207 -170.145 -66.554 -75.204 -77.006 104.444 2.038 104.645 -85.67 176.61 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -69.26 -24.61 64.0 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 118.408 0.549 . . . . 64.23 111.941 174.891 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' THR . . . . . . . . . . . . . 72.8 p -75.17 -25.32 58.2 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 113.502 0.927 . . . . 62.65 113.502 -178.047 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 1.9 pt -73.17 158.68 6.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-O 122.278 1.037 . . . . 59.24 110.423 -174.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 115.126 -0.943 . . . . 60.91 111.644 -178.114 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' TRS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' TRS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.1 p . . . . . 0 CA--C 1.532 0.277 0 CA-C-O 120.76 0.314 . . . . 67.62 110.429 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.3 p -140.08 160.24 40.38 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.267 -0.642 . . . . 59.44 109.267 -178.277 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 16.0 m -60.55 -27.29 67.54 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.238 -0.892 . . . . 63.81 112.212 -178.805 -81.781 0.477 -94.923 103.796 2.031 103.735 -55.803 -70.448 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.42 -41.93 50.52 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 119.563 -1.303 . . . . 67.41 113.145 -178.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -66.7 -35.84 81.08 Favored 'General case' 0 CA--C 1.521 -0.149 0 C-N-CA 118.805 -1.158 . . . . 84.23 110.802 174.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' VAL . . . . . 0.41 HG22 HD13 ' A' ' 35' ' ' LEU . 19.4 t -60.12 -45.56 95.62 Favored 'Isoleucine or valine' 0 C--O 1.241 0.625 0 CA-C-O 121.262 0.553 . . . . 61.61 110.03 176.389 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ASP . . . . . 0.445 ' OD1' ' NH2' ' A' ' 58' ' ' ARG . 84.6 m-20 -57.01 -44.38 82.74 Favored 'General case' 0 C--O 1.238 0.499 0 O-C-N 122.119 -0.363 . . . . 66.06 110.804 175.171 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.67 -43.45 98.77 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.694 -0.402 . . . . 65.23 110.88 -179.75 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -63.66 -38.63 91.84 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 120.596 0.236 . . . . 67.7 111.288 -177.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 81.5 mt -92.81 -9.66 39.64 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 114.077 1.14 . . . . 60.57 114.077 -173.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.43 -47.0 84.58 Favored Pre-proline 0 C--O 1.241 0.632 0 N-CA-C 113.998 1.11 . . . . 68.84 113.998 177.438 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -69.67 -8.9 24.79 Favored 'Trans proline' 0 C--O 1.238 0.493 0 CA-C-N 121.523 1.58 . . . . 63.27 114.266 178.429 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 77.7 m -87.48 -8.72 56.11 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 119.063 0.847 . . . . 57.92 112.756 174.811 -60.847 -68.224 98.936 104.393 2.031 103.86 55.032 172.057 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 73.5 t -57.26 -46.29 99.84 Favored Pre-proline 0 C--O 1.244 0.764 0 CA-C-O 118.549 -0.738 . . . . 66.16 112.412 -177.674 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -56.51 -49.64 14.29 Favored 'Trans proline' 0 N--CA 1.476 0.444 0 CA-C-N 121.114 1.433 . . . . 65.29 113.164 176.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -61.44 -41.34 97.04 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.409 -0.516 . . . . 62.92 111.69 177.374 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.3 mt -74.33 -16.92 60.9 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 112.921 0.711 . . . . 64.55 112.921 -174.342 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.2 p -112.14 -20.36 11.94 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 114.074 1.139 . . . . 70.48 114.074 -178.63 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -122.1 -5.63 8.95 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 113.495 0.924 . . . . 74.85 113.495 -178.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.6 -163.71 44.56 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-O 122.279 0.933 . . . . 63.06 112.064 -179.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.97 -122.24 7.35 Favored Glycine 0 N--CA 1.449 -0.477 0 CA-C-N 114.806 -0.697 . . . . 57.51 113.248 179.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -130.62 145.2 56.53 Favored Pre-proline 0 C--O 1.235 0.342 0 C-N-CA 124.259 1.024 . . . . 58.97 108.909 179.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -66.02 -44.88 6.71 Favored 'Trans proline' 0 C--O 1.238 0.494 0 N-CA-C 113.74 0.631 . . . . 60.06 113.74 -175.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLY . . . . . 0.632 ' HA3' ' H32' ' A' ' 102' ' ' TRS . . . 97.16 168.53 33.16 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-O 122.493 1.052 . . . . 61.3 112.567 177.295 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.57 85.72 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 114.244 -0.978 . . . . 63.97 112.083 -175.393 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.5 -42.4 82.95 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 119.911 -0.716 . . . . 64.32 111.438 -175.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.8 t -57.93 -51.17 70.73 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 120.689 0.28 . . . . 69.35 111.389 176.676 172.057 55.032 98.936 103.86 2.031 104.393 -68.224 -60.847 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 84.1 m -64.32 -35.93 82.46 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.339 -0.544 . . . . 64.62 111.467 -178.227 -67.478 -50.625 -80.165 104.738 2.039 105.371 -60.2 -71.332 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.9 m -63.92 -44.36 93.14 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 119.808 -0.757 . . . . 71.25 111.091 176.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.43 -41.95 99.66 Favored Glycine 0 C--N 1.336 0.56 0 C-N-CA 120.003 -1.094 . . . . 66.62 112.647 176.263 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' VAL . . . . . 0.525 HG21 HD21 ' A' ' 70' ' ' LEU . 70.9 t -65.05 -37.74 81.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 O-C-N 122.342 -0.504 . . . . 65.1 110.455 179.609 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -63.85 -46.65 84.05 Favored 'General case' 0 C--O 1.238 0.483 0 O-C-N 121.863 -0.523 . . . . 88.25 111.169 176.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.6 m -53.19 -49.35 66.9 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.703 -0.399 . . . . 74.09 111.268 174.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LEU . . . . . 0.597 HD21 HD11 ' A' ' 52' ' ' ILE . 5.8 tp -65.22 -44.46 88.2 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.495 -0.482 . . . . 74.33 111.541 -176.849 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -57.91 -32.47 67.78 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.707 -0.397 . . . . 79.09 111.537 175.276 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -74.13 -33.39 57.08 Favored Glycine 0 C--N 1.336 0.548 0 C-N-CA 120.027 -1.082 . . . . 87.21 112.573 179.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -78.06 -10.56 59.67 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 112.488 0.551 . . . . 90.46 112.488 175.145 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -109.47 66.41 0.63 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.86 0.838 . . . . 79.89 109.32 -179.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -91.04 -46.7 7.99 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.62 -0.718 . . . . 74.63 112.217 -177.003 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.3 p -85.78 161.11 51.48 Favored Pre-proline 0 C--O 1.235 0.299 0 C-N-CA 123.619 0.768 . . . . 77.4 110.638 -177.334 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -63.78 -36.01 53.72 Favored 'Trans proline' 0 C--O 1.238 0.499 0 N-CA-C 113.886 0.687 . . . . 74.52 113.886 179.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -61.03 -51.86 67.41 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 121.142 0.496 . . . . 71.36 111.155 176.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -54.37 -39.97 67.67 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.368 -0.378 . . . . 66.99 111.121 174.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -68.56 -39.77 80.89 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 121.029 -0.268 . . . . 87.59 111.284 -175.693 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.8 mttm -66.7 -42.64 86.12 Favored 'General case' 0 C--O 1.245 0.858 0 C-N-CA 120.194 -0.602 . . . . 74.62 111.292 176.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.3 m -61.83 -49.54 75.88 Favored 'General case' 0 C--O 1.243 0.737 0 C-N-CA 120.293 -0.563 . . . . 57.36 111.071 178.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.71 -37.46 76.16 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.376 -0.374 . . . . 54.21 111.077 177.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 44.0 t -62.28 -44.91 95.45 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.175 -0.61 . . . . 57.71 111.094 -179.567 176.695 -84.721 -74.242 102.818 2.031 102.455 -70.39 -63.036 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -67.93 -39.21 83.53 Favored 'General case' 0 C--O 1.245 0.846 0 C-N-CA 118.342 -1.343 . . . . 53.58 111.154 -179.775 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 87.7 m -57.3 -44.46 84.1 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 120.486 -0.486 . . . . 54.3 111.309 174.692 -70.448 -55.803 -94.923 103.735 2.031 103.796 0.477 -81.781 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ILE . . . . . 0.597 HD11 HD21 ' A' ' 35' ' ' LEU . 8.6 mt -69.0 -37.45 77.22 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 CA-C-N 116.6 -0.273 . . . . 58.79 111.275 -177.973 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.5 tttt -56.88 -45.8 82.31 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 119.864 -0.734 . . . . 64.08 110.731 173.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.46 -49.88 75.8 Favored 'General case' 0 C--O 1.244 0.802 0 C-N-CA 119.918 -0.713 . . . . 56.41 111.186 177.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.6 -42.14 82.62 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.51 -0.476 . . . . 62.06 111.452 -179.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.09 -37.77 88.57 Favored 'General case' 0 C--O 1.237 0.415 0 O-C-N 122.202 -0.311 . . . . 63.97 111.294 179.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -75.02 -11.58 60.13 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.034 -0.666 . . . . 70.48 112.672 -179.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ARG . . . . . 0.445 ' NH2' ' OD1' ' A' ' 8' ' ' ASP . 56.7 mtm-85 -63.03 -15.95 58.19 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 113.269 0.841 . . . . 88.21 113.269 175.413 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -127.05 112.13 21.76 Favored Pre-proline 0 C--O 1.248 1.01 0 CA-C-N 119.046 0.839 . . . . 81.35 111.416 -176.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -69.15 -24.32 32.59 Favored 'Trans proline' 0 C--O 1.238 0.504 0 CA-C-N 118.831 0.618 . . . . 85.57 113.639 170.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -75.92 3.06 10.92 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 113.392 0.886 . . . . 88.86 113.392 177.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.0 tp -62.03 139.88 58.4 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 118.719 0.69 . . . . 72.93 111.058 -175.015 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -97.8 119.63 36.74 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 108.963 -0.754 . . . . 74.62 108.963 179.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -65.4 -29.26 69.94 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 120.162 -0.615 . . . . 85.93 111.906 -178.027 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -71.81 -36.52 70.28 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 119.215 -0.994 . . . . 71.14 111.317 -178.896 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.85 -45.57 91.98 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 120.438 -0.505 . . . . 53.01 111.292 173.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.14 -40.27 95.39 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 120.821 -0.352 . . . . 55.02 111.448 178.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -75.17 -26.7 59.27 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 112.339 0.496 . . . . 64.46 112.339 -177.073 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.8 p -96.63 -11.29 25.46 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 113.793 1.035 . . . . 56.95 113.793 -178.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LEU . . . . . 0.525 HD21 HG21 ' A' ' 32' ' ' VAL . 6.3 tt -51.05 -49.71 79.42 Favored Pre-proline 0 C--O 1.241 0.645 0 N-CA-C 113.997 1.11 . . . . 51.83 113.997 178.556 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -60.45 -40.75 54.7 Favored 'Trans proline' 0 C--O 1.239 0.546 0 CA-C-N 121.493 1.569 . . . . 56.87 113.499 -173.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' SER . . . . . 0.411 ' HB2' ' HA ' ' B' ' 79' ' ' ASN . 17.4 p -76.95 -31.52 56.66 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.138 -0.625 . . . . 54.62 111.819 177.945 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 53.6 mttm -65.68 -28.87 69.4 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.393 -0.523 . . . . 55.14 111.657 174.14 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 72.8 m -96.27 -5.66 39.72 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 113.247 0.832 . . . . 57.23 113.247 175.582 -71.332 -60.2 -80.165 105.371 2.039 104.738 -50.625 -67.478 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.42 42.33 95.96 Favored Glycine 0 C--O 1.238 0.374 0 C-N-CA 120.554 -0.832 . . . . 74.95 114.555 -179.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 44.3 mt -129.2 142.38 44.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 N-CA-C 108.958 -0.756 . . . . 69.79 108.958 -178.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.3 t -84.72 88.96 7.41 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 105.509 -2.034 . . . . 83.42 105.509 171.666 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 80' ' ' VAL . 10.4 tp -73.82 112.83 10.31 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.557 -0.747 . . . . 74.67 109.906 -177.01 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ASN . . . . . 0.601 ' HA ' ' HB2' ' B' ' 72' ' ' SER . 56.5 m-20 -71.72 -18.74 62.13 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 119.767 -0.773 . . . . 81.65 112.062 178.425 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' VAL . . . . . 0.437 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 11.8 m -118.66 115.86 35.14 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 108.228 -1.027 . . . . 83.9 108.228 -178.677 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -74.88 153.98 42.78 Favored 'Trans proline' 0 CA--C 1.516 -0.408 0 CA-C-N 119.058 0.699 . . . . 69.0 111.548 179.355 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 6.5 mt -104.83 102.63 14.08 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 N-CA-C 106.738 -1.579 . . . . 60.11 106.738 -179.605 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -150.35 152.69 34.81 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.148 -1.056 . . . . 66.27 108.148 178.619 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 69.9 mtm180 -79.02 -15.03 58.8 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.389 -0.823 . . . . 88.76 112.934 176.436 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.3 p -122.93 11.31 9.6 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 113.441 0.904 . . . . 72.22 113.441 -171.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.0 tt -64.78 140.61 19.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-N 118.768 0.713 . . . . 70.32 110.29 179.035 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -97.56 107.06 19.48 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 106.64 -1.615 . . . . 81.9 106.64 169.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 73.1 m -71.31 -7.21 45.52 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 113.824 1.046 . . . . 69.9 113.824 -170.403 -63.036 -70.39 -74.242 102.455 2.031 102.818 -84.721 176.695 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -68.52 -23.22 64.52 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 118.957 0.799 . . . . 77.1 112.152 175.679 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' THR . . . . . 0.426 ' O ' ' NZ ' ' B' ' 73' ' ' LYS . 66.7 p -72.04 -24.79 61.6 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 120.314 -0.554 . . . . 79.08 111.722 179.55 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.9 mm . . . . . 0 C--N 1.329 -0.287 0 N-CA-C 109.586 -0.524 . . . . 83.37 109.586 -178.703 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 6.1 p . . . . . 0 CA--C 1.532 0.277 0 N-CA-C 109.88 -0.415 . . . . 69.71 109.88 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 17.4 p -140.02 159.92 41.09 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.085 -0.709 . . . . 61.58 109.085 -178.244 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' CYS . . . . . . . . . . . . . 19.8 m -60.31 -27.96 67.73 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.39 -0.823 . . . . 55.91 111.93 -177.301 -80.686 1.694 -93.964 104.138 2.03 104.769 -54.881 -70.594 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.0 -38.52 59.86 Favored Glycine 0 C--N 1.334 0.458 0 C-N-CA 119.971 -1.109 . . . . 53.15 111.747 179.489 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -65.28 -38.68 91.03 Favored 'General case' 0 C--O 1.236 0.38 0 O-C-N 122.457 -0.437 . . . . 77.77 111.305 174.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 15.7 t -61.33 -47.04 95.28 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 CA-C-O 121.144 0.497 . . . . 51.17 110.26 176.529 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -58.64 -45.71 88.69 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 120.733 -0.387 . . . . 54.12 111.499 177.686 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.34 -46.44 80.24 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 120.293 -0.563 . . . . 54.73 111.496 -177.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -65.6 -33.04 74.97 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.764 -0.374 . . . . 61.31 111.978 -178.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' LEU . . . . . 0.819 HD11 HD13 ' B' ' 52' ' ' ILE . 87.1 mt -91.6 -9.47 43.99 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 118.804 -1.159 . . . . 52.03 113.843 -178.301 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.56 -47.16 85.04 Favored Pre-proline 0 C--O 1.241 0.644 0 N-CA-C 113.808 1.04 . . . . 54.35 113.808 176.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -69.58 -8.4 23.5 Favored 'Trans proline' 0 C--O 1.239 0.563 0 CA-C-N 121.492 1.568 . . . . 54.94 114.255 177.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 79.2 m -87.84 -8.59 55.67 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 113.358 0.873 . . . . 53.01 113.358 175.531 -60.57 -66.272 99.529 103.261 2.029 102.76 55.317 170.697 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 74.6 t -57.01 -45.19 99.98 Favored Pre-proline 0 C--O 1.243 0.73 0 CA-C-O 118.517 -0.754 . . . . 61.45 112.599 -177.076 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -55.86 -50.51 12.22 Favored 'Trans proline' 0 C--O 1.239 0.555 0 CA-C-N 121.033 1.405 . . . . 65.25 113.592 177.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -61.27 -39.73 91.46 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 119.853 -0.739 . . . . 62.92 111.152 176.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' LEU . . . . . 0.409 HD21 HD12 ' B' ' 70' ' ' LEU . 65.3 mt -73.06 -16.12 61.49 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 112.746 0.647 . . . . 63.29 112.746 -174.275 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 51.2 p -112.01 -23.17 10.65 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 114.174 1.176 . . . . 68.5 114.174 -179.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -123.48 -5.25 8.22 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 114.017 1.118 . . . . 92.07 114.017 179.348 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.29 -164.05 45.45 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-O 122.415 1.008 . . . . 71.34 113.222 178.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.29 -122.9 7.61 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 114.587 -0.806 . . . . 64.3 113.09 179.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -130.63 139.22 34.96 Favored Pre-proline 0 C--O 1.238 0.45 0 CA-C-N 116.884 0.342 . . . . 66.75 110.335 178.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -72.22 137.33 28.44 Favored 'Trans proline' 0 C--N 1.332 -0.297 0 C-N-CA 120.06 0.507 . . . . 61.08 110.915 178.058 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.12 170.9 46.75 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-O 122.324 0.958 . . . . 55.68 112.149 177.174 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.53 -42.96 88.99 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 114.76 -0.72 . . . . 52.69 111.213 -178.158 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.27 -39.24 92.34 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.799 -0.36 . . . . 52.34 111.207 -177.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' CYS . . . . . . . . . . . . . 17.1 t -56.26 -51.9 66.45 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-O 120.875 0.369 . . . . 51.7 111.194 175.234 170.697 55.317 99.529 102.76 2.029 103.261 -66.272 -60.57 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 90.1 m -64.26 -35.34 80.51 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.542 -0.463 . . . . 54.2 111.292 -178.209 -66.731 -51.419 -80.483 104.53 2.035 104.258 -64.926 -74.646 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 22.7 t -63.87 -44.6 92.59 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 120.03 -0.668 . . . . 51.21 111.249 176.68 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.54 -40.81 98.3 Favored Glycine 0 C--N 1.335 0.475 0 C-N-CA 120.01 -1.09 . . . . 54.22 112.281 176.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' VAL . . . . . 0.49 HG21 HD21 ' B' ' 70' ' ' LEU . 70.4 t -65.22 -39.5 85.65 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 O-C-N 122.325 -0.514 . . . . 53.53 110.869 -179.989 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -65.25 -44.22 88.83 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 119.939 -0.704 . . . . 66.49 110.85 176.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 78.0 m -51.88 -48.75 63.94 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 121.092 0.472 . . . . 63.54 111.148 173.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 18.6 mt -63.59 -42.65 98.26 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.487 -0.485 . . . . 58.03 111.053 -178.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -56.86 -34.71 68.09 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.512 -0.475 . . . . 67.48 111.442 174.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.1 -33.47 45.05 Favored Glycine 0 C--N 1.336 0.541 0 N-CA-C 115.227 0.851 . . . . 60.77 115.227 -179.248 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -77.86 -9.85 59.27 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 113.89 1.07 . . . . 69.83 113.89 179.226 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' ALA . . . . . 0.425 ' HA ' ' HB3' ' B' ' 44' ' ' ASP . . . -106.58 71.86 0.88 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.868 0.842 . . . . 53.67 109.526 -176.058 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -87.08 -46.18 10.04 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.396 -0.82 . . . . 79.12 112.145 -176.259 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 94.4 p -87.56 161.44 45.23 Favored Pre-proline 0 C--N 1.326 -0.451 0 C-N-CA 120.294 -0.562 . . . . 56.73 110.674 -179.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' PRO . . . . . 0.486 ' HG3' ' NH2' ' B' ' 45' ' ' ARG . 54.2 Cg_exo -63.14 -34.31 69.49 Favored 'Trans proline' 0 C--O 1.239 0.535 0 N-CA-C 113.102 0.385 . . . . 56.21 113.102 176.059 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -60.24 -48.15 82.95 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 120.343 -0.543 . . . . 64.53 110.458 173.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' ASP . . . . . 0.425 ' HB3' ' HA ' ' B' ' 39' ' ' ALA . 87.9 m-20 -52.94 -41.49 64.53 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 116.568 -0.287 . . . . 58.01 110.998 174.078 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 45' ' ' ARG . . . . . 0.486 ' NH2' ' HG3' ' B' ' 42' ' ' PRO . 93.9 mtm-85 -69.64 -39.7 76.96 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 119.56 -0.856 . . . . 53.92 111.463 -175.941 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 22.8 mttp -67.22 -40.5 86.4 Favored 'General case' 0 C--O 1.243 0.727 0 C-N-CA 119.565 -0.854 . . . . 63.3 111.169 178.112 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 13.9 m -61.03 -49.42 77.46 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-O 121.079 0.466 . . . . 53.87 110.682 177.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.09 -37.91 78.25 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.416 -0.356 . . . . 48.57 111.175 176.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 44.4 t -62.44 -44.93 95.23 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.457 -0.497 . . . . 50.47 111.152 -179.133 176.61 -85.67 -77.006 104.645 2.038 104.444 -75.204 -66.554 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -68.94 -40.02 79.2 Favored 'General case' 0 C--O 1.243 0.751 0 C-N-CA 118.967 -1.093 . . . . 50.43 111.321 -179.817 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 85.4 m -57.76 -44.07 85.9 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 120.307 -0.557 . . . . 50.22 111.169 174.321 -70.594 -54.881 -93.964 104.769 2.03 104.138 1.694 -80.686 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' ILE . . . . . 0.819 HD13 HD11 ' B' ' 11' ' ' LEU . 2.1 mm -67.7 -38.07 79.71 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 CA-C-O 120.916 0.388 . . . . 56.94 110.207 -177.669 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 49.2 tttt -56.54 -46.15 80.8 Favored 'General case' 0 C--O 1.238 0.478 0 O-C-N 122.019 -0.425 . . . . 57.29 110.881 173.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.07 -50.38 73.95 Favored 'General case' 0 C--O 1.242 0.66 0 C-N-CA 120.141 -0.623 . . . . 52.63 110.937 177.37 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.03 -41.66 83.68 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.557 -0.457 . . . . 55.52 111.477 -179.674 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.06 -38.3 90.36 Favored 'General case' 0 C--O 1.238 0.451 0 O-C-N 122.183 -0.323 . . . . 58.26 111.165 179.581 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -75.57 -9.34 58.5 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 112.602 0.593 . . . . 59.69 112.602 178.448 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -61.44 -23.77 66.08 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 112.71 0.633 . . . . 71.04 112.71 179.264 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -135.09 111.56 11.03 Favored Pre-proline 0 C--O 1.238 0.483 0 O-C-N 121.785 -0.572 . . . . 70.82 110.027 179.923 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -66.28 -19.89 55.86 Favored 'Trans proline' 0 C--O 1.238 0.492 0 CA-C-N 119.498 0.856 . . . . 84.32 113.682 173.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' ASN . . . . . 0.507 ' OD1' ' N ' ' B' ' 61' ' ' ASN . 1.7 p-10 -70.2 -3.13 15.45 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 118.906 0.775 . . . . 79.94 112.692 176.149 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 tt -68.95 142.1 54.79 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 121.003 0.43 . . . . 70.71 110.349 -179.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . . . -96.88 121.11 38.38 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 108.337 -0.986 . . . . 66.26 108.337 177.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -63.78 -31.4 72.57 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.562 -0.455 . . . . 74.96 111.936 -176.003 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -73.16 -33.98 65.77 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 119.909 -0.716 . . . . 80.9 111.614 -179.75 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.68 -42.58 97.37 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 119.883 -0.727 . . . . 64.64 110.499 171.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.57 -40.27 94.12 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.837 -0.345 . . . . 58.99 111.325 176.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -73.78 -26.25 60.55 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.552 -0.459 . . . . 66.55 112.157 -178.646 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 4.3 m -94.86 -11.41 28.84 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 113.109 0.781 . . . . 67.25 113.109 -177.578 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' LEU . . . . . 0.49 HD21 HG21 ' B' ' 32' ' ' VAL . 5.2 tt -50.92 -51.81 63.66 Favored Pre-proline 0 C--O 1.241 0.638 0 N-CA-C 113.424 0.898 . . . . 58.04 113.424 179.821 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -61.63 -39.3 55.15 Favored 'Trans proline' 0 C--O 1.238 0.507 0 CA-C-N 121.348 1.517 . . . . 63.51 113.768 -174.161 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' SER . . . . . 0.601 ' HB2' ' HA ' ' A' ' 79' ' ' ASN . 14.8 p -76.41 -32.49 58.53 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.276 -0.569 . . . . 75.53 112.338 179.099 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 73' ' ' LYS . . . . . 0.426 ' NZ ' ' O ' ' A' ' 90' ' ' THR . 46.6 mttm -64.04 -28.0 69.5 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 119.465 -0.894 . . . . 70.18 111.0 172.392 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 57.7 m -90.76 -5.06 56.19 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 123.13 0.572 . . . . 64.56 112.348 175.147 -74.646 -64.926 -80.483 104.258 2.035 104.53 -51.419 -66.731 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 64.91 38.24 95.27 Favored Glycine 0 C--O 1.238 0.398 0 N-CA-C 114.517 0.567 . . . . 73.7 114.517 179.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 5.1 tp -132.92 141.99 43.45 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 N-CA-C 108.133 -1.062 . . . . 75.86 108.133 177.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 47.1 t -87.01 95.06 9.8 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 108.679 -0.86 . . . . 87.01 108.679 173.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 12.2 tp -71.28 117.09 12.37 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.586 -0.524 . . . . 57.79 109.586 177.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' ASN . . . . . 0.411 ' HA ' ' HB2' ' A' ' 72' ' ' SER . 39.3 p30 -68.16 -12.92 61.76 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 113.113 0.783 . . . . 64.54 113.113 179.268 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 21.2 t -119.8 125.41 27.42 Favored Pre-proline 0 C--O 1.233 0.232 0 CA-C-N 118.867 0.758 . . . . 57.94 110.218 -179.214 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -73.14 151.78 49.88 Favored 'Trans proline' 0 C--O 1.234 0.318 0 CA-C-N 119.608 0.896 . . . . 54.78 112.502 179.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 8.4 mt -107.37 107.17 22.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 N-CA-C 107.577 -1.268 . . . . 56.06 107.577 179.407 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 19.2 t -148.22 151.64 35.84 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 119.95 -0.7 . . . . 53.61 110.114 179.255 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' ARG . . . . . . . . . . . . . 43.7 mtm180 -81.62 -20.34 39.92 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.521 -0.763 . . . . 88.49 112.669 175.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 3.3 p -125.46 9.13 7.79 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 113.182 0.808 . . . . 89.42 113.182 -171.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 2.6 tt -65.25 143.09 16.07 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 CA-C-O 121.566 0.698 . . . . 58.89 109.985 179.596 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -94.54 106.14 18.11 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 105.263 -2.125 . . . . 58.86 105.263 168.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 91.6 m -67.51 -7.05 22.74 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 113.207 0.817 . . . . 53.42 113.207 -170.145 -66.554 -75.204 -77.006 104.444 2.038 104.645 -85.67 176.61 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -69.26 -24.61 64.0 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 118.408 0.549 . . . . 64.23 111.941 174.891 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 90' ' ' THR . . . . . . . . . . . . . 72.8 p -75.17 -25.32 58.2 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 113.502 0.927 . . . . 62.65 113.502 -178.047 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 1.9 pt -73.17 158.68 6.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-O 122.278 1.037 . . . . 59.24 110.423 -174.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 115.126 -0.943 . . . . 60.91 111.644 -178.114 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' MYR . . . . . 0.589 ' H32' ' H92' ' A' ' 101' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' TRS . . . . . 0.632 ' H32' ' HA3' ' A' ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' TRS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 0 . 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 nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.1 p . . . . . 0 CA--C 1.532 0.277 0 CA-C-O 120.76 0.314 . . . . 67.62 110.429 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.3 p -140.08 160.24 40.38 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.267 -0.642 . . . . 59.44 109.267 -178.277 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 16.0 m -60.55 -27.29 67.54 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.238 -0.892 . . . . 63.81 112.212 -178.805 -81.781 0.477 -94.923 103.796 2.031 103.735 -55.803 -70.448 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.42 -41.93 50.52 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 119.563 -1.303 . . . . 67.41 113.145 -178.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -66.7 -35.84 81.08 Favored 'General case' 0 CA--C 1.521 -0.149 0 C-N-CA 118.805 -1.158 . . . . 84.23 110.802 174.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.41 HG22 HD13 ' A' ' 35' ' ' LEU . 19.4 t -60.12 -45.56 95.62 Favored 'Isoleucine or valine' 0 C--O 1.241 0.625 0 CA-C-O 121.262 0.553 . . . . 61.61 110.03 176.389 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.445 ' OD1' ' NH2' ' A' ' 58' ' ' ARG . 84.6 m-20 -57.01 -44.38 82.74 Favored 'General case' 0 C--O 1.238 0.499 0 O-C-N 122.119 -0.363 . . . . 66.06 110.804 175.171 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.67 -43.45 98.77 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.694 -0.402 . . . . 65.23 110.88 -179.75 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -63.66 -38.63 91.84 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 120.596 0.236 . . . . 67.7 111.288 -177.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 81.5 mt -92.81 -9.66 39.64 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 114.077 1.14 . . . . 60.57 114.077 -173.989 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.43 -47.0 84.58 Favored Pre-proline 0 C--O 1.241 0.632 0 N-CA-C 113.998 1.11 . . . . 68.84 113.998 177.438 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -69.67 -8.9 24.79 Favored 'Trans proline' 0 C--O 1.238 0.493 0 CA-C-N 121.523 1.58 . . . . 63.27 114.266 178.429 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 77.7 m -87.48 -8.72 56.11 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 119.063 0.847 . . . . 57.92 112.756 174.811 -60.847 -68.224 98.936 104.393 2.031 103.86 55.032 172.057 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 73.5 t -57.26 -46.29 99.84 Favored Pre-proline 0 C--O 1.244 0.764 0 CA-C-O 118.549 -0.738 . . . . 66.16 112.412 -177.674 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -56.51 -49.64 14.29 Favored 'Trans proline' 0 N--CA 1.476 0.444 0 CA-C-N 121.114 1.433 . . . . 65.29 113.164 176.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -61.44 -41.34 97.04 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.409 -0.516 . . . . 62.92 111.69 177.374 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.3 mt -74.33 -16.92 60.9 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 112.921 0.711 . . . . 64.55 112.921 -174.342 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.2 p -112.14 -20.36 11.94 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 114.074 1.139 . . . . 70.48 114.074 -178.63 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -122.1 -5.63 8.95 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 113.495 0.924 . . . . 74.85 113.495 -178.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.6 -163.71 44.56 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-O 122.279 0.933 . . . . 63.06 112.064 -179.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.97 -122.24 7.35 Favored Glycine 0 N--CA 1.449 -0.477 0 CA-C-N 114.806 -0.697 . . . . 57.51 113.248 179.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -130.62 145.2 56.53 Favored Pre-proline 0 C--O 1.235 0.342 0 C-N-CA 124.259 1.024 . . . . 58.97 108.909 179.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -66.02 -44.88 6.71 Favored 'Trans proline' 0 C--O 1.238 0.494 0 N-CA-C 113.74 0.631 . . . . 60.06 113.74 -175.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.632 ' HA3' ' H32' ' A' ' 102' ' ' TRS . . . 97.16 168.53 33.16 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-O 122.493 1.052 . . . . 61.3 112.567 177.295 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.57 85.72 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 114.244 -0.978 . . . . 63.97 112.083 -175.393 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.5 -42.4 82.95 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 119.911 -0.716 . . . . 64.32 111.438 -175.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.8 t -57.93 -51.17 70.73 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 120.689 0.28 . . . . 69.35 111.389 176.676 172.057 55.032 98.936 103.86 2.031 104.393 -68.224 -60.847 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 84.1 m -64.32 -35.93 82.46 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.339 -0.544 . . . . 64.62 111.467 -178.227 -67.478 -50.625 -80.165 104.738 2.039 105.371 -60.2 -71.332 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.9 m -63.92 -44.36 93.14 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 119.808 -0.757 . . . . 71.25 111.091 176.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.43 -41.95 99.66 Favored Glycine 0 C--N 1.336 0.56 0 C-N-CA 120.003 -1.094 . . . . 66.62 112.647 176.263 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.525 HG21 HD21 ' A' ' 70' ' ' LEU . 70.9 t -65.05 -37.74 81.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 O-C-N 122.342 -0.504 . . . . 65.1 110.455 179.609 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -63.85 -46.65 84.05 Favored 'General case' 0 C--O 1.238 0.483 0 O-C-N 121.863 -0.523 . . . . 88.25 111.169 176.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.6 m -53.19 -49.35 66.9 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.703 -0.399 . . . . 74.09 111.268 174.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.597 HD21 HD11 ' A' ' 52' ' ' ILE . 5.8 tp -65.22 -44.46 88.2 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.495 -0.482 . . . . 74.33 111.541 -176.849 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -57.91 -32.47 67.78 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.707 -0.397 . . . . 79.09 111.537 175.276 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -74.13 -33.39 57.08 Favored Glycine 0 C--N 1.336 0.548 0 C-N-CA 120.027 -1.082 . . . . 87.21 112.573 179.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -78.06 -10.56 59.67 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 112.488 0.551 . . . . 90.46 112.488 175.145 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -109.47 66.41 0.63 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.86 0.838 . . . . 79.89 109.32 -179.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . . . -91.04 -46.7 7.99 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.62 -0.718 . . . . 74.63 112.217 -177.003 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.3 p -85.78 161.11 51.48 Favored Pre-proline 0 C--O 1.235 0.299 0 C-N-CA 123.619 0.768 . . . . 77.4 110.638 -177.334 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -63.78 -36.01 53.72 Favored 'Trans proline' 0 C--O 1.238 0.499 0 N-CA-C 113.886 0.687 . . . . 74.52 113.886 179.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -61.03 -51.86 67.41 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 121.142 0.496 . . . . 71.36 111.155 176.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -54.37 -39.97 67.67 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.368 -0.378 . . . . 66.99 111.121 174.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -68.56 -39.77 80.89 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 121.029 -0.268 . . . . 87.59 111.284 -175.693 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.8 mttm -66.7 -42.64 86.12 Favored 'General case' 0 C--O 1.245 0.858 0 C-N-CA 120.194 -0.602 . . . . 74.62 111.292 176.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.3 m -61.83 -49.54 75.88 Favored 'General case' 0 C--O 1.243 0.737 0 C-N-CA 120.293 -0.563 . . . . 57.36 111.071 178.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.71 -37.46 76.16 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.376 -0.374 . . . . 54.21 111.077 177.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 44.0 t -62.28 -44.91 95.45 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.175 -0.61 . . . . 57.71 111.094 -179.567 176.695 -84.721 -74.242 102.818 2.031 102.455 -70.39 -63.036 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -67.93 -39.21 83.53 Favored 'General case' 0 C--O 1.245 0.846 0 C-N-CA 118.342 -1.343 . . . . 53.58 111.154 -179.775 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 87.7 m -57.3 -44.46 84.1 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 120.486 -0.486 . . . . 54.3 111.309 174.692 -70.448 -55.803 -94.923 103.735 2.031 103.796 0.477 -81.781 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.597 HD11 HD21 ' A' ' 35' ' ' LEU . 8.6 mt -69.0 -37.45 77.22 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 CA-C-N 116.6 -0.273 . . . . 58.79 111.275 -177.973 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.5 tttt -56.88 -45.8 82.31 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 119.864 -0.734 . . . . 64.08 110.731 173.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.46 -49.88 75.8 Favored 'General case' 0 C--O 1.244 0.802 0 C-N-CA 119.918 -0.713 . . . . 56.41 111.186 177.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.6 -42.14 82.62 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.51 -0.476 . . . . 62.06 111.452 -179.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.09 -37.77 88.57 Favored 'General case' 0 C--O 1.237 0.415 0 O-C-N 122.202 -0.311 . . . . 63.97 111.294 179.33 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -75.02 -11.58 60.13 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.034 -0.666 . . . . 70.48 112.672 -179.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.445 ' NH2' ' OD1' ' A' ' 8' ' ' ASP . 56.7 mtm-85 -63.03 -15.95 58.19 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 113.269 0.841 . . . . 88.21 113.269 175.413 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -127.05 112.13 21.76 Favored Pre-proline 0 C--O 1.248 1.01 0 CA-C-N 119.046 0.839 . . . . 81.35 111.416 -176.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -69.15 -24.32 32.59 Favored 'Trans proline' 0 C--O 1.238 0.504 0 CA-C-N 118.831 0.618 . . . . 85.57 113.639 170.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -75.92 3.06 10.92 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 113.392 0.886 . . . . 88.86 113.392 177.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.0 tp -62.03 139.88 58.4 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 118.719 0.69 . . . . 72.93 111.058 -175.015 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -97.8 119.63 36.74 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 108.963 -0.754 . . . . 74.62 108.963 179.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -65.4 -29.26 69.94 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 120.162 -0.615 . . . . 85.93 111.906 -178.027 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -71.81 -36.52 70.28 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 119.215 -0.994 . . . . 71.14 111.317 -178.896 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.85 -45.57 91.98 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 120.438 -0.505 . . . . 53.01 111.292 173.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.14 -40.27 95.39 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 120.821 -0.352 . . . . 55.02 111.448 178.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -75.17 -26.7 59.27 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 112.339 0.496 . . . . 64.46 112.339 -177.073 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.8 p -96.63 -11.29 25.46 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 113.793 1.035 . . . . 56.95 113.793 -178.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.525 HD21 HG21 ' A' ' 32' ' ' VAL . 6.3 tt -51.05 -49.71 79.42 Favored Pre-proline 0 C--O 1.241 0.645 0 N-CA-C 113.997 1.11 . . . . 51.83 113.997 178.556 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -60.45 -40.75 54.7 Favored 'Trans proline' 0 C--O 1.239 0.546 0 CA-C-N 121.493 1.569 . . . . 56.87 113.499 -173.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' SER . . . . . 0.411 ' HB2' ' HA ' ' B' ' 79' ' ' ASN . 17.4 p -76.95 -31.52 56.66 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.138 -0.625 . . . . 54.62 111.819 177.945 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 53.6 mttm -65.68 -28.87 69.4 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.393 -0.523 . . . . 55.14 111.657 174.14 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 72.8 m -96.27 -5.66 39.72 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 113.247 0.832 . . . . 57.23 113.247 175.582 -71.332 -60.2 -80.165 105.371 2.039 104.738 -50.625 -67.478 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.42 42.33 95.96 Favored Glycine 0 C--O 1.238 0.374 0 C-N-CA 120.554 -0.832 . . . . 74.95 114.555 -179.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 44.3 mt -129.2 142.38 44.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 N-CA-C 108.958 -0.756 . . . . 69.79 108.958 -178.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.3 t -84.72 88.96 7.41 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 105.509 -2.034 . . . . 83.42 105.509 171.666 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 80' ' ' VAL . 10.4 tp -73.82 112.83 10.31 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.557 -0.747 . . . . 74.67 109.906 -177.01 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.601 ' HA ' ' HB2' ' B' ' 72' ' ' SER . 56.5 m-20 -71.72 -18.74 62.13 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 119.767 -0.773 . . . . 81.65 112.062 178.425 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.437 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 11.8 m -118.66 115.86 35.14 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 108.228 -1.027 . . . . 83.9 108.228 -178.677 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -74.88 153.98 42.78 Favored 'Trans proline' 0 CA--C 1.516 -0.408 0 CA-C-N 119.058 0.699 . . . . 69.0 111.548 179.355 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 6.5 mt -104.83 102.63 14.08 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 N-CA-C 106.738 -1.579 . . . . 60.11 106.738 -179.605 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -150.35 152.69 34.81 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.148 -1.056 . . . . 66.27 108.148 178.619 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 69.9 mtm180 -79.02 -15.03 58.8 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.389 -0.823 . . . . 88.76 112.934 176.436 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.3 p -122.93 11.31 9.6 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 113.441 0.904 . . . . 72.22 113.441 -171.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.0 tt -64.78 140.61 19.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-N 118.768 0.713 . . . . 70.32 110.29 179.035 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -97.56 107.06 19.48 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 106.64 -1.615 . . . . 81.9 106.64 169.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 73.1 m -71.31 -7.21 45.52 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 113.824 1.046 . . . . 69.9 113.824 -170.403 -63.036 -70.39 -74.242 102.455 2.031 102.818 -84.721 176.695 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -68.52 -23.22 64.52 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 118.957 0.799 . . . . 77.1 112.152 175.679 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' THR . . . . . 0.426 ' O ' ' NZ ' ' B' ' 73' ' ' LYS . 66.7 p -72.04 -24.79 61.6 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 120.314 -0.554 . . . . 79.08 111.722 179.55 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.9 mm . . . . . 0 C--N 1.329 -0.287 0 N-CA-C 109.586 -0.524 . . . . 83.37 109.586 -178.703 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 6.1 p . . . . . 0 CA--C 1.532 0.277 0 N-CA-C 109.88 -0.415 . . . . 69.71 109.88 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 17.4 p -140.02 159.92 41.09 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.085 -0.709 . . . . 61.58 109.085 -178.244 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' CYS . . . . . . . . . . . . . 19.8 m -60.31 -27.96 67.73 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.39 -0.823 . . . . 55.91 111.93 -177.301 -80.686 1.694 -93.964 104.138 2.03 104.769 -54.881 -70.594 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.0 -38.52 59.86 Favored Glycine 0 C--N 1.334 0.458 0 C-N-CA 119.971 -1.109 . . . . 53.15 111.747 179.489 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -65.28 -38.68 91.03 Favored 'General case' 0 C--O 1.236 0.38 0 O-C-N 122.457 -0.437 . . . . 77.77 111.305 174.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 15.7 t -61.33 -47.04 95.28 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 CA-C-O 121.144 0.497 . . . . 51.17 110.26 176.529 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -58.64 -45.71 88.69 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 120.733 -0.387 . . . . 54.12 111.499 177.686 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.34 -46.44 80.24 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 120.293 -0.563 . . . . 54.73 111.496 -177.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -65.6 -33.04 74.97 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.764 -0.374 . . . . 61.31 111.978 -178.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.819 HD11 HD13 ' B' ' 52' ' ' ILE . 87.1 mt -91.6 -9.47 43.99 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 118.804 -1.159 . . . . 52.03 113.843 -178.301 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.56 -47.16 85.04 Favored Pre-proline 0 C--O 1.241 0.644 0 N-CA-C 113.808 1.04 . . . . 54.35 113.808 176.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -69.58 -8.4 23.5 Favored 'Trans proline' 0 C--O 1.239 0.563 0 CA-C-N 121.492 1.568 . . . . 54.94 114.255 177.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 79.2 m -87.84 -8.59 55.67 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 113.358 0.873 . . . . 53.01 113.358 175.531 -60.57 -66.272 99.529 103.261 2.029 102.76 55.317 170.697 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 74.6 t -57.01 -45.19 99.98 Favored Pre-proline 0 C--O 1.243 0.73 0 CA-C-O 118.517 -0.754 . . . . 61.45 112.599 -177.076 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -55.86 -50.51 12.22 Favored 'Trans proline' 0 C--O 1.239 0.555 0 CA-C-N 121.033 1.405 . . . . 65.25 113.592 177.967 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -61.27 -39.73 91.46 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 119.853 -0.739 . . . . 62.92 111.152 176.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.409 HD21 HD12 ' B' ' 70' ' ' LEU . 65.3 mt -73.06 -16.12 61.49 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 112.746 0.647 . . . . 63.29 112.746 -174.275 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 51.2 p -112.01 -23.17 10.65 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 114.174 1.176 . . . . 68.5 114.174 -179.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -123.48 -5.25 8.22 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 114.017 1.118 . . . . 92.07 114.017 179.348 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.29 -164.05 45.45 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-O 122.415 1.008 . . . . 71.34 113.222 178.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.29 -122.9 7.61 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 114.587 -0.806 . . . . 64.3 113.09 179.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -130.63 139.22 34.96 Favored Pre-proline 0 C--O 1.238 0.45 0 CA-C-N 116.884 0.342 . . . . 66.75 110.335 178.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -72.22 137.33 28.44 Favored 'Trans proline' 0 C--N 1.332 -0.297 0 C-N-CA 120.06 0.507 . . . . 61.08 110.915 178.058 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.12 170.9 46.75 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-O 122.324 0.958 . . . . 55.68 112.149 177.174 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.53 -42.96 88.99 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 114.76 -0.72 . . . . 52.69 111.213 -178.158 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.27 -39.24 92.34 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.799 -0.36 . . . . 52.34 111.207 -177.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' CYS . . . . . . . . . . . . . 17.1 t -56.26 -51.9 66.45 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-O 120.875 0.369 . . . . 51.7 111.194 175.234 170.697 55.317 99.529 102.76 2.029 103.261 -66.272 -60.57 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 90.1 m -64.26 -35.34 80.51 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.542 -0.463 . . . . 54.2 111.292 -178.209 -66.731 -51.419 -80.483 104.53 2.035 104.258 -64.926 -74.646 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 22.7 t -63.87 -44.6 92.59 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 120.03 -0.668 . . . . 51.21 111.249 176.68 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.54 -40.81 98.3 Favored Glycine 0 C--N 1.335 0.475 0 C-N-CA 120.01 -1.09 . . . . 54.22 112.281 176.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.49 HG21 HD21 ' B' ' 70' ' ' LEU . 70.4 t -65.22 -39.5 85.65 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 O-C-N 122.325 -0.514 . . . . 53.53 110.869 -179.989 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -65.25 -44.22 88.83 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 119.939 -0.704 . . . . 66.49 110.85 176.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 78.0 m -51.88 -48.75 63.94 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 121.092 0.472 . . . . 63.54 111.148 173.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 18.6 mt -63.59 -42.65 98.26 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.487 -0.485 . . . . 58.03 111.053 -178.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -56.86 -34.71 68.09 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.512 -0.475 . . . . 67.48 111.442 174.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.1 -33.47 45.05 Favored Glycine 0 C--N 1.336 0.541 0 N-CA-C 115.227 0.851 . . . . 60.77 115.227 -179.248 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -77.86 -9.85 59.27 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 113.89 1.07 . . . . 69.83 113.89 179.226 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' ALA . . . . . 0.425 ' HA ' ' HB3' ' B' ' 44' ' ' ASP . . . -106.58 71.86 0.88 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.868 0.842 . . . . 53.67 109.526 -176.058 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -87.08 -46.18 10.04 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.396 -0.82 . . . . 79.12 112.145 -176.259 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 94.4 p -87.56 161.44 45.23 Favored Pre-proline 0 C--N 1.326 -0.451 0 C-N-CA 120.294 -0.562 . . . . 56.73 110.674 -179.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' PRO . . . . . 0.486 ' HG3' ' NH2' ' B' ' 45' ' ' ARG . 54.2 Cg_exo -63.14 -34.31 69.49 Favored 'Trans proline' 0 C--O 1.239 0.535 0 N-CA-C 113.102 0.385 . . . . 56.21 113.102 176.059 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -60.24 -48.15 82.95 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 120.343 -0.543 . . . . 64.53 110.458 173.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' ASP . . . . . 0.425 ' HB3' ' HA ' ' B' ' 39' ' ' ALA . 87.9 m-20 -52.94 -41.49 64.53 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 116.568 -0.287 . . . . 58.01 110.998 174.078 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.486 ' NH2' ' HG3' ' B' ' 42' ' ' PRO . 93.9 mtm-85 -69.64 -39.7 76.96 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 119.56 -0.856 . . . . 53.92 111.463 -175.941 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 22.8 mttp -67.22 -40.5 86.4 Favored 'General case' 0 C--O 1.243 0.727 0 C-N-CA 119.565 -0.854 . . . . 63.3 111.169 178.112 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 13.9 m -61.03 -49.42 77.46 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-O 121.079 0.466 . . . . 53.87 110.682 177.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.09 -37.91 78.25 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.416 -0.356 . . . . 48.57 111.175 176.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 44.4 t -62.44 -44.93 95.23 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.457 -0.497 . . . . 50.47 111.152 -179.133 176.61 -85.67 -77.006 104.645 2.038 104.444 -75.204 -66.554 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -68.94 -40.02 79.2 Favored 'General case' 0 C--O 1.243 0.751 0 C-N-CA 118.967 -1.093 . . . . 50.43 111.321 -179.817 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 85.4 m -57.76 -44.07 85.9 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 120.307 -0.557 . . . . 50.22 111.169 174.321 -70.594 -54.881 -93.964 104.769 2.03 104.138 1.694 -80.686 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' ILE . . . . . 0.819 HD13 HD11 ' B' ' 11' ' ' LEU . 2.1 mm -67.7 -38.07 79.71 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 CA-C-O 120.916 0.388 . . . . 56.94 110.207 -177.669 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 49.2 tttt -56.54 -46.15 80.8 Favored 'General case' 0 C--O 1.238 0.478 0 O-C-N 122.019 -0.425 . . . . 57.29 110.881 173.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.07 -50.38 73.95 Favored 'General case' 0 C--O 1.242 0.66 0 C-N-CA 120.141 -0.623 . . . . 52.63 110.937 177.37 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.03 -41.66 83.68 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.557 -0.457 . . . . 55.52 111.477 -179.674 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.06 -38.3 90.36 Favored 'General case' 0 C--O 1.238 0.451 0 O-C-N 122.183 -0.323 . . . . 58.26 111.165 179.581 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -75.57 -9.34 58.5 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 112.602 0.593 . . . . 59.69 112.602 178.448 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -61.44 -23.77 66.08 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 112.71 0.633 . . . . 71.04 112.71 179.264 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -135.09 111.56 11.03 Favored Pre-proline 0 C--O 1.238 0.483 0 O-C-N 121.785 -0.572 . . . . 70.82 110.027 179.923 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -66.28 -19.89 55.86 Favored 'Trans proline' 0 C--O 1.238 0.492 0 CA-C-N 119.498 0.856 . . . . 84.32 113.682 173.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' ASN . . . . . 0.507 ' OD1' ' N ' ' B' ' 61' ' ' ASN . 1.7 p-10 -70.2 -3.13 15.45 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 118.906 0.775 . . . . 79.94 112.692 176.149 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 tt -68.95 142.1 54.79 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 121.003 0.43 . . . . 70.71 110.349 -179.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . . . -96.88 121.11 38.38 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 108.337 -0.986 . . . . 66.26 108.337 177.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -63.78 -31.4 72.57 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.562 -0.455 . . . . 74.96 111.936 -176.003 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -73.16 -33.98 65.77 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 119.909 -0.716 . . . . 80.9 111.614 -179.75 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.68 -42.58 97.37 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 119.883 -0.727 . . . . 64.64 110.499 171.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.57 -40.27 94.12 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.837 -0.345 . . . . 58.99 111.325 176.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -73.78 -26.25 60.55 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.552 -0.459 . . . . 66.55 112.157 -178.646 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 4.3 m -94.86 -11.41 28.84 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 113.109 0.781 . . . . 67.25 113.109 -177.578 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.49 HD21 HG21 ' B' ' 32' ' ' VAL . 5.2 tt -50.92 -51.81 63.66 Favored Pre-proline 0 C--O 1.241 0.638 0 N-CA-C 113.424 0.898 . . . . 58.04 113.424 179.821 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -61.63 -39.3 55.15 Favored 'Trans proline' 0 C--O 1.238 0.507 0 CA-C-N 121.348 1.517 . . . . 63.51 113.768 -174.161 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' SER . . . . . 0.601 ' HB2' ' HA ' ' A' ' 79' ' ' ASN . 14.8 p -76.41 -32.49 58.53 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.276 -0.569 . . . . 75.53 112.338 179.099 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' LYS . . . . . 0.426 ' NZ ' ' O ' ' A' ' 90' ' ' THR . 46.6 mttm -64.04 -28.0 69.5 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 119.465 -0.894 . . . . 70.18 111.0 172.392 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' CYS . . . . . . . . . . . . . 57.7 m -90.76 -5.06 56.19 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 123.13 0.572 . . . . 64.56 112.348 175.147 -74.646 -64.926 -80.483 104.258 2.035 104.53 -51.419 -66.731 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 64.91 38.24 95.27 Favored Glycine 0 C--O 1.238 0.398 0 N-CA-C 114.517 0.567 . . . . 73.7 114.517 179.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 5.1 tp -132.92 141.99 43.45 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 N-CA-C 108.133 -1.062 . . . . 75.86 108.133 177.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 47.1 t -87.01 95.06 9.8 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 108.679 -0.86 . . . . 87.01 108.679 173.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 12.2 tp -71.28 117.09 12.37 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.586 -0.524 . . . . 57.79 109.586 177.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' ASN . . . . . 0.411 ' HA ' ' HB2' ' A' ' 72' ' ' SER . 39.3 p30 -68.16 -12.92 61.76 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 113.113 0.783 . . . . 64.54 113.113 179.268 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 21.2 t -119.8 125.41 27.42 Favored Pre-proline 0 C--O 1.233 0.232 0 CA-C-N 118.867 0.758 . . . . 57.94 110.218 -179.214 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -73.14 151.78 49.88 Favored 'Trans proline' 0 C--O 1.234 0.318 0 CA-C-N 119.608 0.896 . . . . 54.78 112.502 179.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 8.4 mt -107.37 107.17 22.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 N-CA-C 107.577 -1.268 . . . . 56.06 107.577 179.407 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 19.2 t -148.22 151.64 35.84 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 119.95 -0.7 . . . . 53.61 110.114 179.255 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' ARG . . . . . . . . . . . . . 43.7 mtm180 -81.62 -20.34 39.92 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.521 -0.763 . . . . 88.49 112.669 175.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 3.3 p -125.46 9.13 7.79 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 113.182 0.808 . . . . 89.42 113.182 -171.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 2.6 tt -65.25 143.09 16.07 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 CA-C-O 121.566 0.698 . . . . 58.89 109.985 179.596 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -94.54 106.14 18.11 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 105.263 -2.125 . . . . 58.86 105.263 168.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 91.6 m -67.51 -7.05 22.74 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 113.207 0.817 . . . . 53.42 113.207 -170.145 -66.554 -75.204 -77.006 104.444 2.038 104.645 -85.67 176.61 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -69.26 -24.61 64.0 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 118.408 0.549 . . . . 64.23 111.941 174.891 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' THR . . . . . . . . . . . . . 72.8 p -75.17 -25.32 58.2 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 113.502 0.927 . . . . 62.65 113.502 -178.047 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 1.9 pt -73.17 158.68 6.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-O 122.278 1.037 . . . . 59.24 110.423 -174.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 115.126 -0.943 . . . . 60.91 111.644 -178.114 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' MYR . . . . . 0.589 ' H32' ' H92' ' A' ' 101' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' TRS . . . . . 0.632 ' H32' ' HA3' ' A' ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' TRS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 0 . 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 stop_ save_