data_6pln_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 6pln _Structure_validation_residue.Date_analyzed 2020-07-03 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 ' 5' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt . . . . . 0 C--O 1.243 0.715 0 CA-C-O 120.469 0.176 . . . . 108.04 110.949 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -69.07 -32.82 72.56 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 120.031 -0.667 . . . . 102.47 110.839 169.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -48.08 -58.72 4.09 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 123.781 0.833 . . . . 108.68 110.65 170.371 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 p -72.73 -36.27 67.72 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.641 -0.709 . . . . 92.38 112.052 -175.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.53 -46.49 79.38 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 119.467 -0.893 . . . . 82.57 110.923 -177.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.9 tp -48.87 -54.87 13.53 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 120.924 -0.311 . . . . 74.34 111.28 171.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 19.9 mt -59.65 -32.53 70.54 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 120.102 -0.639 . . . . 69.66 111.748 -177.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -71.2 -39.06 72.0 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 119.105 -1.038 . . . . 89.56 111.425 179.871 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.6 mt -60.83 -38.82 79.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 C-N-CA 119.079 -1.048 . . . . 70.4 109.916 172.118 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.93 -42.55 98.35 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.347 -0.541 . . . . 60.78 111.117 177.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.5 ttm105 -59.76 -48.68 80.73 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 120.109 -0.636 . . . . 87.7 111.703 177.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -54.18 -43.16 70.43 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.041 -0.664 . . . . 84.87 110.819 175.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.9 mm -60.97 -59.02 4.92 Favored 'Isoleucine or valine' 0 C--O 1.243 0.737 0 C-N-CA 120.239 -0.584 . . . . 65.32 110.461 -179.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -149.47 31.93 1.13 Allowed Glycine 0 C--N 1.335 0.527 0 C-N-CA 118.889 -1.624 . . . . 62.81 115.936 -168.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 69.3 -155.33 53.46 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 118.472 -1.823 . . . . 56.66 112.181 169.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -66.67 -26.9 67.26 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-N 115.237 -0.481 . . . . 65.12 111.751 -173.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -69.08 -47.95 63.92 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 120.252 -0.579 . . . . 94.1 110.82 -179.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.88 -40.04 63.14 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 120.627 0.251 . . . . 51.06 111.239 173.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 83.1 t -69.38 -35.01 65.17 Favored 'Isoleucine or valine' 0 C--O 1.243 0.758 0 C-N-CA 118.67 -1.212 . . . . 52.92 110.057 -179.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -65.24 -39.54 92.84 Favored 'General case' 0 C--O 1.244 0.804 0 C-N-CA 119.371 -0.932 . . . . 57.98 110.721 175.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 37.2 t -66.27 -49.83 72.9 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 CA-C-O 121.166 0.507 . . . . 50.06 110.214 -176.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.32 -43.5 86.33 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 CA-C-O 120.758 0.313 . . . . 48.83 110.796 178.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -65.85 -38.72 89.59 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 119.443 -0.903 . . . . 66.76 111.354 -178.042 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.6 -39.57 70.43 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 118.616 -1.233 . . . . 50.58 110.442 179.067 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.0 tp -57.3 -52.48 65.18 Favored 'General case' 0 C--O 1.245 0.86 0 N-CA-C 111.924 0.342 . . . . 57.35 111.924 176.064 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -59.82 -38.69 82.69 Favored 'General case' 0 C--N 1.348 0.507 0 C-N-CA 119.764 -0.774 . . . . 81.0 111.872 178.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -67.01 -27.16 67.19 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 119.167 -1.013 . . . . 77.41 110.929 -178.138 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 tptm -98.27 -13.15 20.92 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 112.633 0.605 . . . . 76.5 112.633 -174.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.66 -74.69 2.35 Favored Glycine 0 C--N 1.337 0.589 0 CA-C-N 118.728 0.695 . . . . 61.89 112.722 -172.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -127.24 150.08 49.71 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 108.282 -1.007 . . . . 99.68 108.282 174.751 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -157.06 155.76 31.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.505 -0.771 . . . . 49.06 109.259 -178.671 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.0 p -89.42 163.01 15.46 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.061 -0.718 . . . . 52.1 109.061 170.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -41.78 -58.25 2.07 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 115.849 -0.614 . . . . 59.5 110.821 166.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -59.14 -44.93 92.1 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.981 -1.009 . . . . 77.42 111.012 -174.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -61.71 -34.08 75.15 Favored 'General case' 0 C--O 1.241 0.637 0 C-N-CA 119.489 -0.884 . . . . 64.41 110.63 178.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 63.2 mt -75.84 -40.6 54.46 Favored 'General case' 0 C--O 1.241 0.612 0 C-N-CA 119.386 -0.926 . . . . 54.14 110.509 -177.338 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.95 -36.57 67.94 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 120.611 -0.436 . . . . 55.88 112.035 173.304 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -79.8 -40.61 28.22 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 119.963 -0.695 . . . . 87.51 111.59 179.379 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.5 mt -58.12 -41.86 84.53 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 117.818 -1.553 . . . . 55.51 110.601 174.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 55.4 p -96.99 -29.43 13.66 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 114.76 1.393 . . . . 58.01 114.76 -166.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.49 -13.8 64.44 Favored Glycine 0 C--N 1.338 0.691 0 CA-C-N 119.296 0.953 . . . . 69.51 113.935 -169.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 39.4 t -66.5 152.09 9.76 Favored 'Isoleucine or valine' 0 C--O 1.239 0.507 0 CA-C-O 121.731 0.777 . . . . 55.26 110.302 174.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.9 mtt85 -75.97 152.35 37.03 Favored 'General case' 0 C--O 1.242 0.707 0 C-N-CA 118.965 -1.094 . . . . 105.09 109.364 -178.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.4 p -67.71 -35.17 71.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 CA-C-N 114.857 -1.065 . . . . 58.65 110.462 -171.529 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ASN . . . . . 0.556 ' ND2' ' O ' ' A' ' 202' ' ' HOH . 54.2 m-80 -61.8 -30.83 71.08 Favored 'General case' 0 CA--C 1.511 -0.558 0 C-N-CA 119.097 -1.041 . . . . 81.51 111.12 176.546 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.1 m -86.21 -38.12 17.96 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 123.022 0.202 . . . . 62.97 111.485 -178.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 79.4 t -55.26 -44.98 77.4 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.312 0 CA-C-O 121.682 0.753 . . . . 50.24 109.565 169.061 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 46.7 ttm105 -64.61 -49.71 70.03 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 119.932 -0.707 . . . . 58.68 110.813 -178.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -59.39 -38.93 81.77 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 119.595 -0.842 . . . . 82.18 111.474 -178.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 64.0 mt -60.42 -45.24 97.02 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 O-C-N 121.768 -0.582 . . . . 49.91 110.618 173.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 69.4 mt -67.32 -39.88 85.93 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 118.301 -1.36 . . . . 49.35 110.936 -173.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -67.84 -25.95 65.81 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 118.687 -1.205 . . . . 56.04 111.183 178.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.09 -45.18 70.9 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 120.537 -0.465 . . . . 57.88 110.774 173.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.6 mt -62.9 -31.2 72.21 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 120.186 -0.606 . . . . 60.88 111.401 176.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -69.67 -46.21 66.6 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.818 -0.353 . . . . 62.14 110.812 177.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -63.03 -36.66 84.31 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.359 0.503 . . . . 63.53 112.359 177.007 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.21 6.09 2.43 Favored 'General case' 0 C--O 1.244 0.808 0 N-CA-C 112.884 0.698 . . . . 64.46 112.884 171.228 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.2 mtmm 46.54 38.14 5.21 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.766 0.826 . . . . 84.11 112.254 -174.755 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 72.6 mt -105.93 2.07 27.22 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 112.954 0.724 . . . . 64.61 112.954 171.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.78 144.24 26.89 Favored 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 108.721 -0.844 . . . . 62.83 108.721 179.174 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.7 t -125.26 173.57 8.71 Favored 'General case' 0 N--CA 1.436 -1.126 0 N-CA-C 108.169 -1.048 . . . . 71.53 108.169 173.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -147.22 162.83 38.11 Favored 'General case' 0 CA--C 1.51 -0.568 0 C-N-CA 119.256 -0.978 . . . . 53.3 110.614 179.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.0 ptt85 -134.08 141.09 47.04 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 114.689 -1.141 . . . . 105.07 109.141 171.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.4 ptt180 -106.46 141.92 36.97 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.688 -0.687 . . . . 64.03 111.793 -165.157 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 87.6 t -124.25 135.41 63.8 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 C-N-CA 124.894 1.277 . . . . 56.87 107.806 179.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.0 ttt-85 -85.89 120.73 27.61 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 107.792 -1.188 . . . . 79.41 107.792 175.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -81.18 121.09 25.7 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 106.87 -1.53 . . . . 73.86 106.87 175.078 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -89.47 -14.79 34.53 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 116.263 -2.175 . . . . 83.72 113.935 -165.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -60.19 -46.82 88.39 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 119.203 -0.999 . . . . 102.06 111.133 167.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.0 p -104.85 -20.71 13.49 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 114.606 1.336 . . . . 69.97 114.606 -171.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.81 3.81 87.75 Favored Glycine 0 C--O 1.243 0.66 0 CA-C-O 118.997 -0.89 . . . . 70.1 115.118 -175.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 45.5 m95 -94.22 155.24 17.14 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 118.636 1.218 . . . . 71.57 111.048 175.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -86.62 155.03 20.59 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 118.899 -1.12 . . . . 63.6 111.427 176.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -134.8 142.87 46.79 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 107.379 -1.341 . . . . 52.81 107.379 164.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.0 m-30 -92.82 148.02 22.37 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-O 121.292 0.567 . . . . 49.37 111.787 -173.013 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -110.38 110.43 21.21 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 105.513 -2.032 . . . . 71.79 105.513 167.495 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 76.2 m95 -90.74 155.98 18.41 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-O 121.946 0.879 . . . . 50.66 110.297 -176.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -152.99 151.18 30.0 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-N 114.433 -1.258 . . . . 90.23 108.73 170.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 29.3 mm -72.76 137.91 22.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-N 114.943 -1.026 . . . . 60.78 108.475 176.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -122.29 99.46 6.43 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 109.523 -0.547 . . . . 86.55 109.523 176.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 18.6 p -87.87 2.02 52.52 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.692 0.627 . . . . 81.14 112.692 178.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.9 ttpp -49.34 -52.69 26.45 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 118.125 0.421 . . . . 98.42 111.607 -177.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -101.74 18.36 20.64 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 112.621 0.6 . . . . 99.22 112.621 179.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 42.7 tp -54.27 -44.24 98.41 Favored Pre-proline 0 C--O 1.257 1.452 0 CA-C-O 118.033 -0.984 . . . . 83.2 113.516 173.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -57.22 -47.58 21.84 Favored 'Trans proline' 0 C--O 1.238 0.512 0 CA-C-N 122.296 1.856 . . . . 87.12 112.897 -179.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' GLU . . . . . 0.433 ' O ' ' OG1' ' A' ' 94' ' ' THR . 2.1 pt-20 -64.91 -26.23 68.22 Favored 'General case' 0 C--O 1.242 0.666 0 C-N-CA 119.776 -0.77 . . . . 102.96 111.973 176.723 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 87.2 t -74.55 -45.39 45.55 Favored 'Isoleucine or valine' 0 C--N 1.342 0.267 0 C-N-CA 120.51 -0.476 . . . . 77.44 110.904 178.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 95.3 mt -52.93 -45.68 51.88 Favored 'Isoleucine or valine' 0 C--O 1.242 0.668 0 CA-C-O 121.476 0.655 . . . . 76.47 110.726 175.102 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 39.8 ttp-105 -66.64 -54.11 26.75 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 116.061 -0.518 . . . . 102.22 110.635 -176.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 90' ' ' GLU . 4.3 m -50.87 -38.42 49.36 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.366 -0.379 . . . . 77.93 111.148 179.251 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 22.5 mtp85 -71.72 -33.5 68.79 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 119.735 -0.786 . . . . 78.89 111.074 -177.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -67.56 -52.56 37.3 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 121.006 -0.278 . . . . 78.87 111.131 174.824 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 38.4 mt -53.66 -46.29 70.54 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.053 0.454 . . . . 84.54 111.043 178.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -62.34 -45.99 90.69 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 120.593 -0.443 . . . . 91.19 111.168 179.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 33.4 tp10 -63.73 -33.85 76.56 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 118.389 -1.325 . . . . 89.61 110.903 178.038 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.4 tt -65.03 -50.45 66.2 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 119.488 -0.885 . . . . 85.01 110.839 179.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -84.16 -3.54 58.2 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 116.875 -1.93 . . . . 93.62 112.78 -175.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -65.35 -38.13 89.17 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 118.818 -1.153 . . . . 92.05 109.79 155.634 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 53.3 tp -69.91 -38.14 76.17 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 119.719 -0.792 . . . . 83.09 111.003 174.661 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 48.8 tttt -55.8 -40.76 73.16 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.399 -0.52 . . . . 90.08 111.922 -179.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -74.16 -29.99 62.05 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 117.351 -1.74 . . . . 99.58 112.034 -177.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 20.1 mtp -65.02 -28.52 69.55 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 118.169 -1.413 . . . . 94.38 110.654 174.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.2 mt -74.76 -32.38 62.05 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.726 -0.389 . . . . 97.0 111.358 177.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -81.31 2.38 28.44 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 124.352 1.061 . . . . 99.17 113.381 175.04 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 . . . . . 0 N--CA 1.471 0.602 0 N-CA-C 116.407 2.002 . . . . 111.09 116.407 176.181 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.237 0.423 0 N-CA-C 111.858 0.318 . . . . 107.54 111.858 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 31.4 m -54.82 -18.11 4.4 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.002 -0.679 . . . . 98.18 111.62 171.468 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.46 -48.82 46.88 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 118.079 0.4 . . . . 95.44 111.589 176.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 15.8 tp -69.7 -36.34 75.87 Favored 'General case' 0 C--O 1.24 0.597 0 C-N-CA 119.975 -0.69 . . . . 94.3 111.755 -178.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 7.8 mt -56.53 -32.44 65.11 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.018 -0.673 . . . . 90.89 111.575 175.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -79.34 -30.65 42.81 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 119.623 -0.831 . . . . 98.91 112.22 178.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.1 mt -63.38 -48.02 89.2 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 CA-C-O 121.371 0.605 . . . . 89.44 109.92 168.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.97 -47.59 82.5 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.31 -0.405 . . . . 90.52 110.834 -177.849 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 47.0 ttm-85 -62.02 -33.81 75.05 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 112.404 0.52 . . . . 93.19 112.404 -178.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -71.62 -16.75 62.29 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 112.622 0.601 . . . . 103.8 112.622 173.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 63.1 mt -87.85 -54.04 8.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 118.482 0.583 . . . . 91.19 111.47 176.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -138.86 34.19 2.12 Favored Glycine 0 C--N 1.337 0.612 0 N-CA-C 115.739 1.056 . . . . 86.78 115.739 -175.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.08 -159.16 53.45 Favored Glycine 0 CA--C 1.52 0.348 0 C-N-CA 118.327 -1.892 . . . . 85.18 111.998 174.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.09 -19.98 60.42 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 119.515 -0.874 . . . . 105.08 113.035 -176.813 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -67.06 -42.99 83.82 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 119.773 -0.771 . . . . 104.33 110.996 174.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.42 -49.64 66.88 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 120.975 0.417 . . . . 77.8 111.176 171.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 50.8 t -54.22 -44.0 63.04 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 CA-C-O 120.805 0.335 . . . . 80.29 110.49 -179.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -75.46 -32.99 60.81 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 118.786 -1.166 . . . . 94.08 111.849 -176.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 57.6 t -58.98 -44.23 90.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 C-N-CA 120.464 -0.494 . . . . 71.84 110.385 170.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 19.5 t -70.04 -48.05 64.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 O-C-N 121.81 -0.556 . . . . 74.64 110.373 -179.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -54.28 -34.6 61.23 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 121.952 -0.468 . . . . 81.26 111.034 176.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.61 -47.63 31.18 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 120.634 0.254 . . . . 76.36 110.877 176.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 1.9 tp -56.9 -26.43 59.02 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 112.097 0.406 . . . . 86.16 112.097 177.377 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -77.08 -59.75 2.65 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 119.855 -0.738 . . . . 96.3 111.108 172.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -60.59 -20.86 61.74 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 119.761 -0.776 . . . . 90.8 112.666 -173.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt -100.92 -15.33 17.57 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 113.599 0.963 . . . . 85.72 113.599 176.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.17 -70.64 2.75 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 118.583 0.629 . . . . 91.97 112.646 -176.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -119.3 162.19 19.17 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.766 -0.827 . . . . 102.94 108.766 172.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -167.47 146.25 4.9 Favored 'General case' 0 CA--C 1.515 -0.4 0 C-N-CA 119.403 -0.919 . . . . 77.89 109.503 177.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 79.9 m -67.52 160.04 28.45 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 121.853 0.835 . . . . 80.21 109.811 166.759 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 30.3 p-10 -63.5 -41.46 98.54 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 116.822 -1.951 . . . . 80.21 110.43 168.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -68.03 -28.88 67.79 Favored 'General case' 0 CA--C 1.509 -0.601 0 C-N-CA 120.334 -0.546 . . . . 63.48 111.487 -178.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' GLU . . . . . 0.602 ' OE2' ' O ' ' B' ' 201' ' ' HOH . 1.0 OUTLIER -74.13 -35.13 64.09 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 117.413 -1.715 . . . . 97.37 111.444 174.645 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 48.6 mt -65.61 -43.21 90.32 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 119.509 -0.876 . . . . 68.6 110.891 175.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.73 -44.41 73.5 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 119.979 -0.688 . . . . 58.19 111.054 175.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -70.22 -41.57 73.42 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 118.597 -1.241 . . . . 56.99 111.322 -177.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 63.8 mt -61.86 -40.78 96.54 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 120.635 -0.426 . . . . 61.53 111.642 -177.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 72.5 p -98.63 -5.51 31.66 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 112.767 0.655 . . . . 61.14 112.767 -172.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.52 44.49 57.93 Favored Glycine 0 C--O 1.244 0.756 0 N-CA-C 115.402 0.921 . . . . 63.96 115.402 176.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 2.9 m -129.85 162.62 37.18 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.452 0 CA-C-N 117.822 0.811 . . . . 70.26 108.943 179.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -60.24 144.54 50.03 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 114.991 -1.004 . . . . 110.45 109.356 174.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 74.7 t -60.98 -39.87 83.63 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 C-N-CA 119.344 -0.942 . . . . 77.74 110.261 -173.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -69.63 -30.92 68.74 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 119.739 -0.784 . . . . 93.72 112.015 -172.408 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 1.3 p -73.82 -23.12 59.61 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 117.737 -1.585 . . . . 86.38 112.5 175.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 24.0 t -66.74 -37.58 79.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-N 119.111 0.869 . . . . 82.79 109.961 166.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 -70.13 -41.68 73.61 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 119.017 -1.073 . . . . 104.76 111.021 -173.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -58.92 -46.33 88.2 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 120.482 -0.487 . . . . 96.22 111.002 174.689 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 30.5 mt -55.41 -43.11 70.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 O-C-N 122.06 -0.4 . . . . 89.64 110.986 177.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 21.3 mt -70.6 -35.32 72.94 Favored 'General case' 0 C--O 1.241 0.628 0 C-N-CA 119.602 -0.839 . . . . 96.58 111.747 -173.379 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -72.91 -35.92 67.18 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.381 -0.528 . . . . 113.28 111.308 -178.402 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.33 -39.3 79.07 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 120.754 -0.378 . . . . 103.96 111.012 171.425 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 31.0 mt -74.05 -14.76 61.05 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 112.498 0.555 . . . . 100.28 112.498 176.119 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -82.13 -39.93 22.59 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 117.634 0.197 . . . . 102.85 111.1 174.751 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -73.37 -14.3 61.26 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 124.292 1.037 . . . . 114.08 112.929 176.319 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.71 18.56 11.4 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 122.801 0.44 . . . . 103.84 111.569 167.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt 37.2 43.02 0.32 Allowed 'General case' 0 C--O 1.236 0.375 0 C-N-CA 125.013 1.325 . . . . 112.97 111.899 -174.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' LEU . . . . . 0.574 ' O ' ' N ' ' B' ' 84' ' ' ASP . 31.8 mt -105.44 -20.47 13.47 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 124.012 0.925 . . . . 106.22 113.154 174.975 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -128.11 142.04 51.32 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.014 0.526 . . . . 102.42 109.603 -174.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 2.8 p -131.16 179.89 5.74 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 108.375 -0.972 . . . . 106.07 108.375 173.232 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -164.11 165.03 22.64 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.241 0.543 . . . . 103.46 109.991 -177.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 41.5 ptt85 -140.39 149.63 42.9 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.244 -0.889 . . . . 102.07 110.151 178.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -103.78 100.49 10.29 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.28 0.632 . . . . 118.69 110.317 -176.209 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 94.0 t -89.16 155.1 3.13 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 C-N-CA 124.41 1.084 . . . . 109.01 108.403 166.027 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 31.0 ttt-85 -128.71 134.11 48.37 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 121.869 -0.519 . . . . 111.44 110.539 -174.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -84.35 122.07 28.41 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 108.374 -0.972 . . . . 106.31 108.374 172.749 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.01 18.76 0.47 Allowed 'General case' 0 C--O 1.237 0.419 0 N-CA-C 114.966 1.469 . . . . 115.66 114.966 -163.051 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -151.11 -23.49 0.21 Allowed 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 124.608 1.163 . . . . 103.51 113.902 -169.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 11.8 p -84.47 -15.63 45.38 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 119.276 -0.969 . . . . 97.77 109.433 151.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.34 -15.1 0.2 Allowed Glycine 0 N--CA 1.439 -1.143 0 CA-C-O 118.956 -0.913 . . . . 107.53 114.021 -165.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' TRP . . . . . . . . . . . . . 43.8 m0 -50.55 158.26 0.64 Allowed 'General case' 0 C--O 1.237 0.43 0 C-N-CA 125.94 1.696 . . . . 105.74 111.07 178.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -134.36 151.45 51.23 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 118.666 -1.214 . . . . 112.77 111.381 171.009 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -120.3 131.01 54.71 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 124.934 1.293 . . . . 99.53 110.266 -169.411 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 12.2 m-30 -96.84 106.24 18.51 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 109.255 -0.646 . . . . 106.63 109.255 -174.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -86.01 113.45 22.11 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 123.376 0.67 . . . . 97.37 109.921 179.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' TRP . . . . . . . . . . . . . 59.7 m95 -89.15 164.31 15.07 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 121.987 0.899 . . . . 90.74 111.946 -179.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -158.42 151.33 22.49 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 107.865 -1.161 . . . . 120.66 107.865 -179.73 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 38.4 mm -71.77 136.9 24.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 CA-C-N 115.785 -0.643 . . . . 97.61 109.551 172.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' ASP . . . . . 0.574 ' N ' ' O ' ' B' ' 63' ' ' LEU . 39.4 t0 -95.23 84.38 4.05 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.945 0.879 . . . . 112.23 108.909 -179.407 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 11.9 p -73.81 -9.1 58.31 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-N 115.616 -0.72 . . . . 101.36 112.942 178.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -49.11 -60.92 2.38 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.485 0.659 . . . . 113.86 111.197 168.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 14.5 mtp180 -81.4 -4.15 54.92 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 113.674 0.991 . . . . 124.02 113.674 -173.048 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' B' ' 90' ' ' GLU . 13.1 tp -69.39 -65.83 1.11 Allowed Pre-proline 0 C--O 1.238 0.498 0 C-N-CA 118.601 -1.24 . . . . 105.07 112.547 -164.945 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -50.27 -14.66 1.07 Allowed 'Trans proline' 0 C--N 1.356 0.964 0 N-CA-C 115.385 1.263 . . . . 104.27 115.385 -163.205 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' B' ' 88' ' ' LEU . 52.8 mm-40 -100.32 -24.07 14.62 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 113.825 1.046 . . . . 116.97 113.825 177.175 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 2.6 m -75.92 -25.91 17.39 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 C-N-CA 116.794 -1.962 . . . . 100.11 109.854 165.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 3.7 mt -58.49 -32.92 46.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 CA-C-O 121.596 0.712 . . . . 93.06 110.08 175.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 9.7 ttt85 -113.11 -19.74 11.74 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 118.966 -1.094 . . . . 102.21 112.091 -165.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 87.0 m -47.57 -47.24 28.49 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.109 -0.636 . . . . 87.39 110.776 150.17 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 7.8 mtp-105 -61.08 -41.16 96.14 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.357 -0.537 . . . . 103.27 111.449 178.078 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -63.17 -28.13 69.84 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 120.471 -0.491 . . . . 96.59 111.77 178.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 79.3 mt -94.32 -34.05 12.97 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 113.557 0.947 . . . . 83.17 113.557 -175.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -64.44 -36.81 85.39 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 119.116 -1.034 . . . . 100.36 110.348 171.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -62.19 -44.13 97.29 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 120.415 -0.514 . . . . 83.29 110.823 172.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 8.5 tp -59.93 -30.59 69.16 Favored 'General case' 0 C--O 1.24 0.587 0 C-N-CA 119.807 -0.757 . . . . 77.91 111.092 176.055 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 32.9 tp10 -75.11 -39.66 60.43 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 118.215 -1.394 . . . . 94.03 111.133 -175.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -73.27 -33.96 65.53 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 116.835 -1.946 . . . . 91.65 110.818 -179.293 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 21.8 tp -54.36 -42.38 70.24 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 119.733 -0.787 . . . . 71.94 111.233 165.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -63.67 -31.42 72.58 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 119.402 -0.919 . . . . 75.41 111.234 179.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -79.92 -41.78 25.43 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.208 -0.597 . . . . 93.58 111.262 -178.405 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' MET . . . . . . . . . . . . . 48.4 mtp -48.77 -47.15 42.0 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 119.923 -0.711 . . . . 82.8 111.146 165.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 62.4 mt -83.59 28.54 0.56 Allowed 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.925 0.713 . . . . 89.0 112.925 175.36 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -126.93 -19.49 4.42 Favored 'General case' 0 C--N 1.321 -0.663 0 O-C-N 121.207 -0.933 . . . . 85.58 111.844 169.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 . . . . . 0 N--CA 1.472 0.639 0 C-N-CA 125.87 1.668 . . . . 97.86 112.787 176.005 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . 0.556 ' O ' ' ND2' ' A' ' 49' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 0.602 ' O ' ' OE2' ' B' ' 39' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt . . . . . 0 C--O 1.243 0.715 0 CA-C-O 120.469 0.176 . . . . 108.04000000000001 110.949 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LYS . . . . . 0.626 ' NZ ' ' HG3' ' A' ' 89' ' ' PRO . 2.3 mmmm -69.07 -32.82 72.56 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 120.031 -0.667 . . . . 102.47 110.839 169.439 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -48.08 -58.72 4.09 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 123.781 0.833 . . . . 108.68000000000001 110.65 170.371 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 p -72.73 -36.27 67.72 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.641 -0.709 . . . . 92.379999999999995 112.052 -175.253 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.53 -46.49 79.38 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 119.467 -0.893 . . . . 82.569999999999993 110.923 -177.619 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.9 tp -48.87 -54.87 13.53 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 120.924 -0.311 . . . . 74.340000000000003 111.28 171.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 19.9 mt -59.65 -32.53 70.54 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 120.102 -0.639 . . . . 69.659999999999997 111.748 -177.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -71.2 -39.06 72.0 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 119.105 -1.038 . . . . 89.560000000000002 111.425 179.871 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.6 mt -60.83 -38.82 79.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 C-N-CA 119.079 -1.048 . . . . 70.400000000000006 109.916 172.118 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.93 -42.55 98.35 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.347 -0.541 . . . . 60.780000000000001 111.117 177.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.5 ttm105 -59.76 -48.68 80.73 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 120.109 -0.636 . . . . 87.700000000000003 111.703 177.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -54.18 -43.16 70.43 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.041 -0.664 . . . . 84.870000000000005 110.819 175.206 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.9 mm -60.97 -59.02 4.92 Favored 'Isoleucine or valine' 0 C--O 1.243 0.737 0 C-N-CA 120.239 -0.584 . . . . 65.319999999999993 110.461 -179.159 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -149.47 31.93 1.13 Allowed Glycine 0 C--N 1.335 0.527 0 C-N-CA 118.889 -1.624 . . . . 62.810000000000002 115.936 -168.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 69.3 -155.33 53.46 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 118.472 -1.823 . . . . 56.659999999999997 112.181 169.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ASP . . . . . 0.496 ' O ' ' HG3' ' A' ' 24' ' ' GLU . 61.1 m-20 -66.67 -26.9 67.26 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-N 115.237 -0.481 . . . . 65.120000000000005 111.751 -173.713 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -69.08 -47.95 63.92 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 120.252 -0.579 . . . . 94.099999999999994 110.82 -179.373 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.88 -40.04 63.14 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 120.627 0.251 . . . . 51.060000000000002 111.239 173.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 83.1 t -69.38 -35.01 65.17 Favored 'Isoleucine or valine' 0 C--O 1.243 0.758 0 C-N-CA 118.67 -1.212 . . . . 52.920000000000002 110.057 -179.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' A' ' 20' ' ' ASP . 75.2 mt-10 -65.24 -39.54 92.84 Favored 'General case' 0 C--O 1.244 0.804 0 C-N-CA 119.371 -0.932 . . . . 57.979999999999997 110.721 175.315 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 37.2 t -66.27 -49.83 72.9 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 CA-C-O 121.166 0.507 . . . . 50.060000000000002 110.214 -176.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.32 -43.5 86.33 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 CA-C-O 120.758 0.313 . . . . 48.829999999999998 110.796 178.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -65.85 -38.72 89.59 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 119.443 -0.903 . . . . 66.760000000000005 111.354 -178.042 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.6 -39.57 70.43 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 118.616 -1.233 . . . . 50.579999999999998 110.442 179.067 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.0 tp -57.3 -52.48 65.18 Favored 'General case' 0 C--O 1.245 0.86 0 N-CA-C 111.924 0.342 . . . . 57.350000000000001 111.924 176.064 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -59.82 -38.69 82.69 Favored 'General case' 0 C--N 1.348 0.507 0 C-N-CA 119.764 -0.774 . . . . 81.0 111.872 178.116 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -67.01 -27.16 67.19 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 119.167 -1.013 . . . . 77.409999999999997 110.929 -178.138 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 tptm -98.27 -13.15 20.92 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 112.633 0.605 . . . . 76.5 112.633 -174.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.66 -74.69 2.35 Favored Glycine 0 C--N 1.337 0.589 0 CA-C-N 118.728 0.695 . . . . 61.890000000000001 112.722 -172.478 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -127.24 150.08 49.71 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 108.282 -1.007 . . . . 99.680000000000007 108.282 174.751 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -157.06 155.76 31.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.505 -0.771 . . . . 49.060000000000002 109.259 -178.671 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.0 p -89.42 163.01 15.46 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.061 -0.718 . . . . 52.100000000000001 109.061 170.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -41.78 -58.25 2.07 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 115.849 -0.614 . . . . 59.5 110.821 166.539 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -59.14 -44.93 92.1 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.981 -1.009 . . . . 77.420000000000002 111.012 -174.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -61.71 -34.08 75.15 Favored 'General case' 0 C--O 1.241 0.637 0 C-N-CA 119.489 -0.884 . . . . 64.409999999999997 110.63 178.929 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 63.2 mt -75.84 -40.6 54.46 Favored 'General case' 0 C--O 1.241 0.612 0 C-N-CA 119.386 -0.926 . . . . 54.140000000000001 110.509 -177.338 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.95 -36.57 67.94 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 120.611 -0.436 . . . . 55.880000000000003 112.035 173.304 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -79.8 -40.61 28.22 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 119.963 -0.695 . . . . 87.510000000000005 111.59 179.379 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.5 mt -58.12 -41.86 84.53 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 117.818 -1.553 . . . . 55.509999999999998 110.601 174.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 55.4 p -96.99 -29.43 13.66 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 114.76 1.393 . . . . 58.009999999999998 114.76 -166.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.49 -13.8 64.44 Favored Glycine 0 C--N 1.338 0.691 0 CA-C-N 119.296 0.953 . . . . 69.510000000000005 113.935 -169.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 39.4 t -66.5 152.09 9.76 Favored 'Isoleucine or valine' 0 C--O 1.239 0.507 0 CA-C-O 121.731 0.777 . . . . 55.259999999999998 110.302 174.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.9 mtt85 -75.97 152.35 37.03 Favored 'General case' 0 C--O 1.242 0.707 0 C-N-CA 118.965 -1.094 . . . . 105.09 109.364 -178.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.4 p -67.71 -35.17 71.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 CA-C-N 114.857 -1.065 . . . . 58.649999999999999 110.462 -171.529 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ASN . . . . . 0.554 ' ND2' ' O ' ' A' ' 202' ' ' HOH . 54.2 m-80 -61.8 -30.83 71.08 Favored 'General case' 0 CA--C 1.511 -0.558 0 C-N-CA 119.097 -1.041 . . . . 81.510000000000005 111.12 176.546 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.1 m -86.21 -38.12 17.96 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 123.022 0.202 . . . . 62.969999999999999 111.485 -178.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 79.4 t -55.26 -44.98 77.4 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.312 0 CA-C-O 121.682 0.753 . . . . 50.240000000000002 109.565 169.061 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 46.7 ttm105 -64.61 -49.71 70.03 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 119.932 -0.707 . . . . 58.68 110.813 -178.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -59.39 -38.93 81.77 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 119.595 -0.842 . . . . 82.180000000000007 111.474 -178.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 64.0 mt -60.42 -45.24 97.02 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 O-C-N 121.768 -0.582 . . . . 49.909999999999997 110.618 173.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LEU . . . . . 0.436 HD13 ' CD1' ' A' ' 81' ' ' TRP . 69.4 mt -67.32 -39.88 85.93 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 118.301 -1.36 . . . . 49.350000000000001 110.936 -173.669 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -67.84 -25.95 65.81 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 118.687 -1.205 . . . . 56.039999999999999 111.183 178.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.09 -45.18 70.9 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 120.537 -0.465 . . . . 57.880000000000003 110.774 173.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.6 mt -62.9 -31.2 72.21 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 120.186 -0.606 . . . . 60.880000000000003 111.401 176.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -69.67 -46.21 66.6 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.818 -0.353 . . . . 62.140000000000001 110.812 177.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -63.03 -36.66 84.31 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.359 0.503 . . . . 63.530000000000001 112.359 177.007 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.21 6.09 2.43 Favored 'General case' 0 C--O 1.244 0.808 0 N-CA-C 112.884 0.698 . . . . 64.459999999999994 112.884 171.228 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' LYS . . . . . 0.522 ' HD2' ' NH1' ' A' ' 87' ' ' ARG . 10.2 mtmm 46.54 38.14 5.21 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.766 0.826 . . . . 84.109999999999999 112.254 -174.755 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 72.6 mt -105.93 2.07 27.22 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 112.954 0.724 . . . . 64.609999999999999 112.954 171.09 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.78 144.24 26.89 Favored 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 108.721 -0.844 . . . . 62.829999999999998 108.721 179.174 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.7 t -125.26 173.57 8.71 Favored 'General case' 0 N--CA 1.436 -1.126 0 N-CA-C 108.169 -1.048 . . . . 71.530000000000001 108.169 173.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -147.22 162.83 38.11 Favored 'General case' 0 CA--C 1.51 -0.568 0 C-N-CA 119.256 -0.978 . . . . 53.299999999999997 110.614 179.567 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.0 ptt85 -134.08 141.09 47.04 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 114.689 -1.141 . . . . 105.06999999999999 109.141 171.364 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.4 ptt180 -106.46 141.92 36.97 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.688 -0.687 . . . . 64.030000000000001 111.793 -165.157 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 87.6 t -124.25 135.41 63.8 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 C-N-CA 124.894 1.277 . . . . 56.869999999999997 107.806 179.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ARG . . . . . 0.428 ' HG2' HH11 ' A' ' 70' ' ' ARG . 14.0 ttt-85 -85.89 120.73 27.61 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 107.792 -1.188 . . . . 79.409999999999997 107.792 175.557 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -81.18 121.09 25.7 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 106.87 -1.53 . . . . 73.859999999999999 106.87 175.078 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -89.47 -14.79 34.53 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 116.263 -2.175 . . . . 83.719999999999999 113.935 -165.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -60.19 -46.82 88.39 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 119.203 -0.999 . . . . 102.06 111.133 167.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.0 p -104.85 -20.71 13.49 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 114.606 1.336 . . . . 69.969999999999999 114.606 -171.498 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.81 3.81 87.75 Favored Glycine 0 C--O 1.243 0.66 0 CA-C-O 118.997 -0.89 . . . . 70.099999999999994 115.118 -175.168 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 45.5 m95 -94.22 155.24 17.14 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 118.636 1.218 . . . . 71.569999999999993 111.048 175.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -86.62 155.03 20.59 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 118.899 -1.12 . . . . 63.600000000000001 111.427 176.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -134.8 142.87 46.79 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 107.379 -1.341 . . . . 52.810000000000002 107.379 164.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.0 m-30 -92.82 148.02 22.37 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-O 121.292 0.567 . . . . 49.369999999999997 111.787 -173.013 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -110.38 110.43 21.21 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 105.513 -2.032 . . . . 71.790000000000006 105.513 167.495 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' TRP . . . . . 0.436 ' CD1' HD13 ' A' ' 55' ' ' LEU . 76.2 m95 -90.74 155.98 18.41 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-O 121.946 0.879 . . . . 50.659999999999997 110.297 -176.693 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -152.99 151.18 30.0 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-N 114.433 -1.258 . . . . 90.230000000000004 108.73 170.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 29.3 mm -72.76 137.91 22.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-N 114.943 -1.026 . . . . 60.780000000000001 108.475 176.373 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -122.29 99.46 6.43 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 109.523 -0.547 . . . . 86.549999999999997 109.523 176.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 18.6 p -87.87 2.02 52.52 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.692 0.627 . . . . 81.140000000000001 112.692 178.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.9 ttpp -49.34 -52.69 26.45 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 118.125 0.421 . . . . 98.420000000000002 111.607 -177.86 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ARG . . . . . 0.522 ' NH1' ' HD2' ' A' ' 62' ' ' LYS . 3.0 ptm180 -101.74 18.36 20.64 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 112.621 0.6 . . . . 99.219999999999999 112.621 179.696 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 42.7 tp -54.27 -44.24 98.41 Favored Pre-proline 0 C--O 1.257 1.452 0 CA-C-O 118.033 -0.984 . . . . 83.200000000000003 113.516 173.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' PRO . . . . . 0.626 ' HG3' ' NZ ' ' A' ' 6' ' ' LYS . 85.0 Cg_exo -57.22 -47.58 21.84 Favored 'Trans proline' 0 C--O 1.238 0.512 0 CA-C-N 122.296 1.856 . . . . 87.120000000000005 112.897 -179.334 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 90' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 87' ' ' ARG . 2.1 pt-20 -64.91 -26.23 68.22 Favored 'General case' 0 C--O 1.242 0.666 0 C-N-CA 119.776 -0.77 . . . . 102.95999999999999 111.973 176.723 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 91' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 87' ' ' ARG . 87.2 t -74.55 -45.39 45.55 Favored 'Isoleucine or valine' 0 C--N 1.342 0.267 0 C-N-CA 120.51 -0.476 . . . . 77.439999999999998 110.904 178.264 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 95.3 mt -52.93 -45.68 51.88 Favored 'Isoleucine or valine' 0 C--O 1.242 0.668 0 CA-C-O 121.476 0.655 . . . . 76.469999999999999 110.726 175.102 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ARG . . . . . 0.427 HH22 ' HB3' ' A' ' 90' ' ' GLU . 39.8 ttp-105 -66.64 -54.11 26.75 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 116.061 -0.518 . . . . 102.22 110.635 -176.909 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.3 m -50.87 -38.42 49.36 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.366 -0.379 . . . . 77.930000000000007 111.148 179.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 22.5 mtp85 -71.72 -33.5 68.79 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 119.735 -0.786 . . . . 78.890000000000001 111.074 -177.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' LYS . . . . . 0.636 ' HE2' HD23 ' B' ' 107' ' ' LEU . 71.9 mttt -67.56 -52.56 37.3 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 121.006 -0.278 . . . . 78.870000000000005 111.131 174.824 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 38.4 mt -53.66 -46.29 70.54 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.053 0.454 . . . . 84.540000000000006 111.043 178.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -62.34 -45.99 90.69 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 120.593 -0.443 . . . . 91.189999999999998 111.168 179.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 33.4 tp10 -63.73 -33.85 76.56 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 118.389 -1.325 . . . . 89.609999999999999 110.903 178.038 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.4 tt -65.03 -50.45 66.2 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 119.488 -0.885 . . . . 85.010000000000005 110.839 179.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' GLU . . . . . 0.402 ' HA ' ' HB3' ' A' ' 104' ' ' LYS . 6.2 mt-10 -84.16 -3.54 58.2 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 116.875 -1.93 . . . . 93.620000000000005 112.78 -175.371 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -65.35 -38.13 89.17 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 118.818 -1.153 . . . . 92.049999999999997 109.79 155.634 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 53.3 tp -69.91 -38.14 76.17 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 119.719 -0.792 . . . . 83.090000000000003 111.003 174.661 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' LYS . . . . . 0.402 ' HB3' ' HA ' ' A' ' 101' ' ' GLU . 48.8 tttt -55.8 -40.76 73.16 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.399 -0.52 . . . . 90.079999999999998 111.922 -179.086 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -74.16 -29.99 62.05 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 117.351 -1.74 . . . . 99.579999999999998 112.034 -177.073 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 20.1 mtp -65.02 -28.52 69.55 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 118.169 -1.413 . . . . 94.379999999999995 110.654 174.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.2 mt -74.76 -32.38 62.05 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.726 -0.389 . . . . 97.0 111.358 177.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -81.31 2.38 28.44 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 124.352 1.061 . . . . 99.170000000000002 113.381 175.04 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 . . . . . 0 N--CA 1.471 0.602 0 N-CA-C 116.407 2.002 . . . . 111.09 116.407 176.181 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 C--O 1.237 0.423 0 N-CA-C 111.858 0.318 . . . . 107.54000000000001 111.858 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 31.4 m -54.82 -18.11 4.4 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.002 -0.679 . . . . 98.180000000000007 111.62 171.468 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.46 -48.82 46.88 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 118.079 0.4 . . . . 95.439999999999998 111.589 176.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 15.8 tp -69.7 -36.34 75.87 Favored 'General case' 0 C--O 1.24 0.597 0 C-N-CA 119.975 -0.69 . . . . 94.299999999999997 111.755 -178.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 7.8 mt -56.53 -32.44 65.11 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.018 -0.673 . . . . 90.890000000000001 111.575 175.366 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -79.34 -30.65 42.81 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 119.623 -0.831 . . . . 98.909999999999997 112.22 178.763 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.1 mt -63.38 -48.02 89.2 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 CA-C-O 121.371 0.605 . . . . 89.439999999999998 109.92 168.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.97 -47.59 82.5 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.31 -0.405 . . . . 90.519999999999996 110.834 -177.849 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 47.0 ttm-85 -62.02 -33.81 75.05 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 112.404 0.52 . . . . 93.189999999999998 112.404 -178.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -71.62 -16.75 62.29 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 112.622 0.601 . . . . 103.8 112.622 173.696 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 63.1 mt -87.85 -54.04 8.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 118.482 0.583 . . . . 91.189999999999998 111.47 176.589 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -138.86 34.19 2.12 Favored Glycine 0 C--N 1.337 0.612 0 N-CA-C 115.739 1.056 . . . . 86.780000000000001 115.739 -175.197 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.08 -159.16 53.45 Favored Glycine 0 CA--C 1.52 0.348 0 C-N-CA 118.327 -1.892 . . . . 85.180000000000007 111.998 174.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ASP . . . . . 0.612 ' O ' ' HG2' ' B' ' 24' ' ' GLU . 1.0 OUTLIER -74.09 -19.98 60.42 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 119.515 -0.874 . . . . 105.08 113.035 -176.813 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 21' ' ' GLU . . . . . 0.549 ' HG2' HG11 ' B' ' 46' ' ' VAL . 3.3 tp10 -67.06 -42.99 83.82 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 119.773 -0.771 . . . . 104.33 110.996 174.45 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.42 -49.64 66.88 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 120.975 0.417 . . . . 77.799999999999997 111.176 171.107 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 50.8 t -54.22 -44.0 63.04 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 CA-C-O 120.805 0.335 . . . . 80.290000000000006 110.49 -179.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' GLU . . . . . 0.612 ' HG2' ' O ' ' B' ' 20' ' ' ASP . 32.5 mm-40 -75.46 -32.99 60.81 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 118.786 -1.166 . . . . 94.079999999999998 111.849 -176.837 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 57.6 t -58.98 -44.23 90.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 C-N-CA 120.464 -0.494 . . . . 71.840000000000003 110.385 170.514 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 19.5 t -70.04 -48.05 64.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 O-C-N 121.81 -0.556 . . . . 74.640000000000001 110.373 -179.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -54.28 -34.6 61.23 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 121.952 -0.468 . . . . 81.260000000000005 111.034 176.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.61 -47.63 31.18 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 120.634 0.254 . . . . 76.359999999999999 110.877 176.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LEU . . . . . 0.4 ' HA ' HD12 ' B' ' 29' ' ' LEU . 1.9 tp -56.9 -26.43 59.02 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 112.097 0.406 . . . . 86.159999999999997 112.097 177.377 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -77.08 -59.75 2.65 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 119.855 -0.738 . . . . 96.299999999999997 111.108 172.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -60.59 -20.86 61.74 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 119.761 -0.776 . . . . 90.799999999999997 112.666 -173.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt -100.92 -15.33 17.57 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 113.599 0.963 . . . . 85.719999999999999 113.599 176.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.17 -70.64 2.75 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 118.583 0.629 . . . . 91.969999999999999 112.646 -176.559 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' GLU . . . . . 0.525 ' HA ' ' O ' ' B' ' 81' ' ' TRP . 3.8 mt-10 -119.3 162.19 19.17 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.766 -0.827 . . . . 102.94 108.766 172.461 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -167.47 146.25 4.9 Favored 'General case' 0 CA--C 1.515 -0.4 0 C-N-CA 119.403 -0.919 . . . . 77.890000000000001 109.503 177.579 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' THR . . . . . 0.633 HG22 ' H ' ' B' ' 38' ' ' GLU . 79.9 m -67.52 160.04 28.45 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 121.853 0.835 . . . . 80.209999999999994 109.811 166.759 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 30.3 p-10 -63.5 -41.46 98.54 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 116.822 -1.951 . . . . 80.209999999999994 110.43 168.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' GLU . . . . . 0.633 ' H ' HG22 ' B' ' 36' ' ' THR . 82.2 mt-10 -68.03 -28.88 67.79 Favored 'General case' 0 CA--C 1.509 -0.601 0 C-N-CA 120.334 -0.546 . . . . 63.479999999999997 111.487 -178.314 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 39' ' ' GLU . . . . . 0.602 ' OE2' ' O ' ' B' ' 201' ' ' HOH . 1.0 OUTLIER -74.13 -35.13 64.09 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 117.413 -1.715 . . . . 97.370000000000005 111.444 174.645 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 48.6 mt -65.61 -43.21 90.32 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 119.509 -0.876 . . . . 68.599999999999994 110.891 175.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.73 -44.41 73.5 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 119.979 -0.688 . . . . 58.189999999999998 111.054 175.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -70.22 -41.57 73.42 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 118.597 -1.241 . . . . 56.990000000000002 111.322 -177.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 63.8 mt -61.86 -40.78 96.54 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 120.635 -0.426 . . . . 61.530000000000001 111.642 -177.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 72.5 p -98.63 -5.51 31.66 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 112.767 0.655 . . . . 61.140000000000001 112.767 -172.179 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.52 44.49 57.93 Favored Glycine 0 C--O 1.244 0.756 0 N-CA-C 115.402 0.921 . . . . 63.960000000000001 115.402 176.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' VAL . . . . . 0.549 HG11 ' HG2' ' B' ' 21' ' ' GLU . 2.9 m -129.85 162.62 37.18 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.452 0 CA-C-N 117.822 0.811 . . . . 70.260000000000005 108.943 179.617 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -60.24 144.54 50.03 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 114.991 -1.004 . . . . 110.45 109.356 174.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 74.7 t -60.98 -39.87 83.63 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 C-N-CA 119.344 -0.942 . . . . 77.739999999999995 110.261 -173.245 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' ASN . . . . . 0.536 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 26.7 m-20 -69.63 -30.92 68.74 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 119.739 -0.784 . . . . 93.719999999999999 112.015 -172.408 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 1.3 p -73.82 -23.12 59.61 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 117.737 -1.585 . . . . 86.379999999999995 112.5 175.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 24.0 t -66.74 -37.58 79.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-N 119.111 0.869 . . . . 82.790000000000006 109.961 166.206 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' ARG . . . . . 0.416 ' HG2' ' CE2' ' B' ' 56' ' ' TYR . 8.7 ttm180 -70.13 -41.68 73.61 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 119.017 -1.073 . . . . 104.76000000000001 111.021 -173.434 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 53' ' ' LYS . . . . . 0.536 ' HG3' ' O ' ' B' ' 49' ' ' ASN . 31.6 mttm -58.92 -46.33 88.2 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 120.482 -0.487 . . . . 96.219999999999999 111.002 174.689 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 30.5 mt -55.41 -43.11 70.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 O-C-N 122.06 -0.4 . . . . 89.640000000000001 110.986 177.775 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 21.3 mt -70.6 -35.32 72.94 Favored 'General case' 0 C--O 1.241 0.628 0 C-N-CA 119.602 -0.839 . . . . 96.579999999999998 111.747 -173.379 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' TYR . . . . . 0.416 ' CE2' ' HG2' ' B' ' 52' ' ' ARG . 22.9 m-85 -72.91 -35.92 67.18 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.381 -0.528 . . . . 113.28 111.308 -178.402 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.33 -39.3 79.07 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 120.754 -0.378 . . . . 103.95999999999999 111.012 171.425 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 31.0 mt -74.05 -14.76 61.05 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 112.498 0.555 . . . . 100.28 112.498 176.119 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -82.13 -39.93 22.59 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 117.634 0.197 . . . . 102.84999999999999 111.1 174.751 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -73.37 -14.3 61.26 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 124.292 1.037 . . . . 114.08 112.929 176.319 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.71 18.56 11.4 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 122.801 0.44 . . . . 103.84 111.569 167.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' LYS . . . . . 0.546 ' HB3' ' HD3' ' B' ' 87' ' ' ARG . 12.9 mmtt 37.2 43.02 0.32 Allowed 'General case' 0 C--O 1.236 0.375 0 C-N-CA 125.013 1.325 . . . . 112.97 111.899 -174.367 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 31.8 mt -105.44 -20.47 13.47 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 124.012 0.925 . . . . 106.22 113.154 174.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -128.11 142.04 51.32 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.014 0.526 . . . . 102.42 109.603 -174.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 2.8 p -131.16 179.89 5.74 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 108.375 -0.972 . . . . 106.06999999999999 108.375 173.232 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -164.11 165.03 22.64 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.241 0.543 . . . . 103.45999999999999 109.991 -177.811 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 41.5 ptt85 -140.39 149.63 42.9 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.244 -0.889 . . . . 102.06999999999999 110.151 178.477 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' ARG . . . . . 0.491 ' HG2' ' HB2' ' B' ' 77' ' ' TYR . 1.7 tmm_? -103.78 100.49 10.29 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.28 0.632 . . . . 118.69 110.317 -176.209 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 94.0 t -89.16 155.1 3.13 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 C-N-CA 124.41 1.084 . . . . 109.01000000000001 108.403 166.027 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 31.0 ttt-85 -128.71 134.11 48.37 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 121.869 -0.519 . . . . 111.44 110.539 -174.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -84.35 122.07 28.41 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 108.374 -0.972 . . . . 106.31 108.374 172.749 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' ASP . . . . . 0.521 ' C ' ' HG3' ' B' ' 73' ' ' GLU . 0.7 OUTLIER -78.01 18.76 0.47 Allowed 'General case' 0 C--O 1.237 0.419 0 N-CA-C 114.966 1.469 . . . . 115.66 114.966 -163.051 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 73' ' ' GLU . . . . . 0.521 ' HG3' ' C ' ' B' ' 72' ' ' ASP . 1.8 mt-10 -151.11 -23.49 0.21 Allowed 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 124.608 1.163 . . . . 103.51000000000001 113.902 -169.863 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 74' ' ' THR . . . . . 0.4 ' C ' ' H ' ' B' ' 76' ' ' TRP . 11.8 p -84.47 -15.63 45.38 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 119.276 -0.969 . . . . 97.769999999999996 109.433 151.265 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.34 -15.1 0.2 Allowed Glycine 0 N--CA 1.439 -1.143 0 CA-C-O 118.956 -0.913 . . . . 107.53 114.021 -165.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' TRP . . . . . 0.4 ' H ' ' C ' ' B' ' 74' ' ' THR . 43.8 m0 -50.55 158.26 0.64 Allowed 'General case' 0 C--O 1.237 0.43 0 C-N-CA 125.94 1.696 . . . . 105.73999999999999 111.07 178.902 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 77' ' ' TYR . . . . . 0.491 ' HB2' ' HG2' ' B' ' 68' ' ' ARG . 0.3 OUTLIER -134.36 151.45 51.23 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 118.666 -1.214 . . . . 112.77 111.381 171.009 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -120.3 131.01 54.71 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 124.934 1.293 . . . . 99.530000000000001 110.266 -169.411 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' TYR . . . . . 0.427 ' HE2' ' HG3' ' B' ' 68' ' ' ARG . 12.2 m-30 -96.84 106.24 18.51 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 109.255 -0.646 . . . . 106.63 109.255 -174.301 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -86.01 113.45 22.11 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 123.376 0.67 . . . . 97.370000000000005 109.921 179.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' TRP . . . . . 0.525 ' O ' ' HA ' ' B' ' 34' ' ' GLU . 59.7 m95 -89.15 164.31 15.07 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 121.987 0.899 . . . . 90.739999999999995 111.946 -179.418 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -158.42 151.33 22.49 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 107.865 -1.161 . . . . 120.66 107.865 -179.73 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 38.4 mm -71.77 136.9 24.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 CA-C-N 115.785 -0.643 . . . . 97.609999999999999 109.551 172.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -95.23 84.38 4.05 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.945 0.879 . . . . 112.23 108.909 -179.407 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 11.9 p -73.81 -9.1 58.31 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-N 115.616 -0.72 . . . . 101.36 112.942 178.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' LYS . . . . . 0.44 ' HE3' ' HB3' ' B' ' 86' ' ' LYS . 7.5 ttpt -49.11 -60.92 2.38 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.485 0.659 . . . . 113.86 111.197 168.564 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 87' ' ' ARG . . . . . 0.546 ' HD3' ' HB3' ' B' ' 62' ' ' LYS . 14.5 mtp180 -81.4 -4.15 54.92 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 113.674 0.991 . . . . 124.02 113.674 -173.048 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 88' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' B' ' 90' ' ' GLU . 13.1 tp -69.39 -65.83 1.11 Allowed Pre-proline 0 C--O 1.238 0.498 0 C-N-CA 118.601 -1.24 . . . . 105.06999999999999 112.547 -164.945 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 89' ' ' PRO . . . . . 0.404 ' HD3' ' HB3' ' B' ' 88' ' ' LEU . 51.5 Cg_exo -50.27 -14.66 1.07 Allowed 'Trans proline' 0 C--N 1.356 0.964 0 N-CA-C 115.385 1.263 . . . . 104.27 115.385 -163.205 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 90' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' B' ' 88' ' ' LEU . 52.8 mm-40 -100.32 -24.07 14.62 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 113.825 1.046 . . . . 116.97 113.825 177.175 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 2.6 m -75.92 -25.91 17.39 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 C-N-CA 116.794 -1.962 . . . . 100.11 109.854 165.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 92' ' ' ILE . . . . . 0.45 HG13 ' HG ' ' B' ' 88' ' ' LEU . 3.7 mt -58.49 -32.92 46.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 CA-C-O 121.596 0.712 . . . . 93.060000000000002 110.08 175.713 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 9.7 ttt85 -113.11 -19.74 11.74 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 118.966 -1.094 . . . . 102.20999999999999 112.091 -165.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 94' ' ' THR . . . . . 0.58 ' O ' ' HG3' ' B' ' 98' ' ' GLN . 87.0 m -47.57 -47.24 28.49 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.109 -0.636 . . . . 87.390000000000001 110.776 150.17 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 7.8 mtp-105 -61.08 -41.16 96.14 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.357 -0.537 . . . . 103.27 111.449 178.078 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -63.17 -28.13 69.84 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 120.471 -0.491 . . . . 96.590000000000003 111.77 178.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 79.3 mt -94.32 -34.05 12.97 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 113.557 0.947 . . . . 83.170000000000002 113.557 -175.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 98' ' ' GLN . . . . . 0.58 ' HG3' ' O ' ' B' ' 94' ' ' THR . 19.0 mt-30 -64.44 -36.81 85.39 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 119.116 -1.034 . . . . 100.36 110.348 171.922 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -62.19 -44.13 97.29 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 120.415 -0.514 . . . . 83.290000000000006 110.823 172.219 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 8.5 tp -59.93 -30.59 69.16 Favored 'General case' 0 C--O 1.24 0.587 0 C-N-CA 119.807 -0.757 . . . . 77.909999999999997 111.092 176.055 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 32.9 tp10 -75.11 -39.66 60.43 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 118.215 -1.394 . . . . 94.030000000000001 111.133 -175.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -73.27 -33.96 65.53 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 116.835 -1.946 . . . . 91.650000000000006 110.818 -179.293 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 21.8 tp -54.36 -42.38 70.24 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 119.733 -0.787 . . . . 71.939999999999998 111.233 165.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -63.67 -31.42 72.58 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 119.402 -0.919 . . . . 75.409999999999997 111.234 179.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -79.92 -41.78 25.43 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.208 -0.597 . . . . 93.579999999999998 111.262 -178.405 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 106' ' ' MET . . . . . . . . . . . . . 48.4 mtp -48.77 -47.15 42.0 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 119.923 -0.711 . . . . 82.799999999999997 111.146 165.471 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 107' ' ' LEU . . . . . 0.636 HD23 ' HE2' ' A' ' 96' ' ' LYS . 62.4 mt -83.59 28.54 0.56 Allowed 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.925 0.713 . . . . 89.0 112.925 175.36 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -126.93 -19.49 4.42 Favored 'General case' 0 C--N 1.321 -0.663 0 O-C-N 121.207 -0.933 . . . . 85.579999999999998 111.844 169.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 . . . . . 0 N--CA 1.472 0.639 0 C-N-CA 125.87 1.668 . . . . 97.859999999999999 112.787 176.005 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . 0.554 ' O ' ' ND2' ' A' ' 49' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 0.602 ' O ' ' OE2' ' B' ' 39' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt . . . . . 0 C--O 1.243 0.715 0 CA-C-O 120.469 0.176 . . . . 108.04 110.949 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.626 ' NZ ' ' HG3' ' A' ' 89' ' ' PRO . 2.3 mmmm -69.07 -32.82 72.56 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 120.031 -0.667 . . . . 102.47 110.839 169.439 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -48.08 -58.72 4.09 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 123.781 0.833 . . . . 108.68 110.65 170.371 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 p -72.73 -36.27 67.72 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.641 -0.709 . . . . 92.38 112.052 -175.253 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.53 -46.49 79.38 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 119.467 -0.893 . . . . 82.57 110.923 -177.619 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.9 tp -48.87 -54.87 13.53 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 120.924 -0.311 . . . . 74.34 111.28 171.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 19.9 mt -59.65 -32.53 70.54 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 120.102 -0.639 . . . . 69.66 111.748 -177.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -71.2 -39.06 72.0 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 119.105 -1.038 . . . . 89.56 111.425 179.871 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.6 mt -60.83 -38.82 79.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 C-N-CA 119.079 -1.048 . . . . 70.4 109.916 172.118 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.93 -42.55 98.35 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.347 -0.541 . . . . 60.78 111.117 177.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.5 ttm105 -59.76 -48.68 80.73 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 120.109 -0.636 . . . . 87.7 111.703 177.809 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -54.18 -43.16 70.43 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.041 -0.664 . . . . 84.87 110.819 175.206 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.9 mm -60.97 -59.02 4.92 Favored 'Isoleucine or valine' 0 C--O 1.243 0.737 0 C-N-CA 120.239 -0.584 . . . . 65.32 110.461 -179.159 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -149.47 31.93 1.13 Allowed Glycine 0 C--N 1.335 0.527 0 C-N-CA 118.889 -1.624 . . . . 62.81 115.936 -168.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 69.3 -155.33 53.46 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 118.472 -1.823 . . . . 56.66 112.181 169.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.496 ' O ' ' HG3' ' A' ' 24' ' ' GLU . 61.1 m-20 -66.67 -26.9 67.26 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-N 115.237 -0.481 . . . . 65.12 111.751 -173.713 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -69.08 -47.95 63.92 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 120.252 -0.579 . . . . 94.1 110.82 -179.373 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.88 -40.04 63.14 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 120.627 0.251 . . . . 51.06 111.239 173.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 83.1 t -69.38 -35.01 65.17 Favored 'Isoleucine or valine' 0 C--O 1.243 0.758 0 C-N-CA 118.67 -1.212 . . . . 52.92 110.057 -179.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' A' ' 20' ' ' ASP . 75.2 mt-10 -65.24 -39.54 92.84 Favored 'General case' 0 C--O 1.244 0.804 0 C-N-CA 119.371 -0.932 . . . . 57.98 110.721 175.315 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 37.2 t -66.27 -49.83 72.9 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 CA-C-O 121.166 0.507 . . . . 50.06 110.214 -176.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.32 -43.5 86.33 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 CA-C-O 120.758 0.313 . . . . 48.83 110.796 178.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -65.85 -38.72 89.59 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 119.443 -0.903 . . . . 66.76 111.354 -178.042 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.6 -39.57 70.43 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 118.616 -1.233 . . . . 50.58 110.442 179.067 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.0 tp -57.3 -52.48 65.18 Favored 'General case' 0 C--O 1.245 0.86 0 N-CA-C 111.924 0.342 . . . . 57.35 111.924 176.064 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -59.82 -38.69 82.69 Favored 'General case' 0 C--N 1.348 0.507 0 C-N-CA 119.764 -0.774 . . . . 81.0 111.872 178.116 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -67.01 -27.16 67.19 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 119.167 -1.013 . . . . 77.41 110.929 -178.138 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 tptm -98.27 -13.15 20.92 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 112.633 0.605 . . . . 76.5 112.633 -174.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.66 -74.69 2.35 Favored Glycine 0 C--N 1.337 0.589 0 CA-C-N 118.728 0.695 . . . . 61.89 112.722 -172.478 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -127.24 150.08 49.71 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 108.282 -1.007 . . . . 99.68 108.282 174.751 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -157.06 155.76 31.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.505 -0.771 . . . . 49.06 109.259 -178.671 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.0 p -89.42 163.01 15.46 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.061 -0.718 . . . . 52.1 109.061 170.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -41.78 -58.25 2.07 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 115.849 -0.614 . . . . 59.5 110.821 166.539 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -59.14 -44.93 92.1 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.981 -1.009 . . . . 77.42 111.012 -174.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -61.71 -34.08 75.15 Favored 'General case' 0 C--O 1.241 0.637 0 C-N-CA 119.489 -0.884 . . . . 64.41 110.63 178.929 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 63.2 mt -75.84 -40.6 54.46 Favored 'General case' 0 C--O 1.241 0.612 0 C-N-CA 119.386 -0.926 . . . . 54.14 110.509 -177.338 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.95 -36.57 67.94 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 120.611 -0.436 . . . . 55.88 112.035 173.304 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -79.8 -40.61 28.22 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 119.963 -0.695 . . . . 87.51 111.59 179.379 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.5 mt -58.12 -41.86 84.53 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 117.818 -1.553 . . . . 55.51 110.601 174.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 55.4 p -96.99 -29.43 13.66 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 114.76 1.393 . . . . 58.01 114.76 -166.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.49 -13.8 64.44 Favored Glycine 0 C--N 1.338 0.691 0 CA-C-N 119.296 0.953 . . . . 69.51 113.935 -169.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 39.4 t -66.5 152.09 9.76 Favored 'Isoleucine or valine' 0 C--O 1.239 0.507 0 CA-C-O 121.731 0.777 . . . . 55.26 110.302 174.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.9 mtt85 -75.97 152.35 37.03 Favored 'General case' 0 C--O 1.242 0.707 0 C-N-CA 118.965 -1.094 . . . . 105.09 109.364 -178.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.4 p -67.71 -35.17 71.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 CA-C-N 114.857 -1.065 . . . . 58.65 110.462 -171.529 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.554 ' ND2' ' O ' ' A' ' 202' ' ' HOH . 54.2 m-80 -61.8 -30.83 71.08 Favored 'General case' 0 CA--C 1.511 -0.558 0 C-N-CA 119.097 -1.041 . . . . 81.51 111.12 176.546 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.1 m -86.21 -38.12 17.96 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 123.022 0.202 . . . . 62.97 111.485 -178.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 79.4 t -55.26 -44.98 77.4 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.312 0 CA-C-O 121.682 0.753 . . . . 50.24 109.565 169.061 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 46.7 ttm105 -64.61 -49.71 70.03 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 119.932 -0.707 . . . . 58.68 110.813 -178.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -59.39 -38.93 81.77 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 119.595 -0.842 . . . . 82.18 111.474 -178.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 64.0 mt -60.42 -45.24 97.02 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 O-C-N 121.768 -0.582 . . . . 49.91 110.618 173.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.436 HD13 ' CD1' ' A' ' 81' ' ' TRP . 69.4 mt -67.32 -39.88 85.93 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 118.301 -1.36 . . . . 49.35 110.936 -173.669 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -67.84 -25.95 65.81 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 118.687 -1.205 . . . . 56.04 111.183 178.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.09 -45.18 70.9 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 120.537 -0.465 . . . . 57.88 110.774 173.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.6 mt -62.9 -31.2 72.21 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 120.186 -0.606 . . . . 60.88 111.401 176.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -69.67 -46.21 66.6 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.818 -0.353 . . . . 62.14 110.812 177.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -63.03 -36.66 84.31 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.359 0.503 . . . . 63.53 112.359 177.007 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.21 6.09 2.43 Favored 'General case' 0 C--O 1.244 0.808 0 N-CA-C 112.884 0.698 . . . . 64.46 112.884 171.228 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.522 ' HD2' ' NH1' ' A' ' 87' ' ' ARG . 10.2 mtmm 46.54 38.14 5.21 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.766 0.826 . . . . 84.11 112.254 -174.755 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 72.6 mt -105.93 2.07 27.22 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 112.954 0.724 . . . . 64.61 112.954 171.09 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.78 144.24 26.89 Favored 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 108.721 -0.844 . . . . 62.83 108.721 179.174 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.7 t -125.26 173.57 8.71 Favored 'General case' 0 N--CA 1.436 -1.126 0 N-CA-C 108.169 -1.048 . . . . 71.53 108.169 173.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -147.22 162.83 38.11 Favored 'General case' 0 CA--C 1.51 -0.568 0 C-N-CA 119.256 -0.978 . . . . 53.3 110.614 179.567 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.0 ptt85 -134.08 141.09 47.04 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 114.689 -1.141 . . . . 105.07 109.141 171.364 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.4 ptt180 -106.46 141.92 36.97 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.688 -0.687 . . . . 64.03 111.793 -165.157 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 87.6 t -124.25 135.41 63.8 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 C-N-CA 124.894 1.277 . . . . 56.87 107.806 179.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.428 HH11 ' HG2' ' A' ' 70' ' ' ARG . 14.0 ttt-85 -85.89 120.73 27.61 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 107.792 -1.188 . . . . 79.41 107.792 175.557 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -81.18 121.09 25.7 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 106.87 -1.53 . . . . 73.86 106.87 175.078 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -89.47 -14.79 34.53 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 116.263 -2.175 . . . . 83.72 113.935 -165.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -60.19 -46.82 88.39 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 119.203 -0.999 . . . . 102.06 111.133 167.025 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.0 p -104.85 -20.71 13.49 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 114.606 1.336 . . . . 69.97 114.606 -171.498 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.81 3.81 87.75 Favored Glycine 0 C--O 1.243 0.66 0 CA-C-O 118.997 -0.89 . . . . 70.1 115.118 -175.168 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 45.5 m95 -94.22 155.24 17.14 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 118.636 1.218 . . . . 71.57 111.048 175.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -86.62 155.03 20.59 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 118.899 -1.12 . . . . 63.6 111.427 176.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -134.8 142.87 46.79 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 107.379 -1.341 . . . . 52.81 107.379 164.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.0 m-30 -92.82 148.02 22.37 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-O 121.292 0.567 . . . . 49.37 111.787 -173.013 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -110.38 110.43 21.21 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 105.513 -2.032 . . . . 71.79 105.513 167.495 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.436 ' CD1' HD13 ' A' ' 55' ' ' LEU . 76.2 m95 -90.74 155.98 18.41 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-O 121.946 0.879 . . . . 50.66 110.297 -176.693 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -152.99 151.18 30.0 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-N 114.433 -1.258 . . . . 90.23 108.73 170.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 29.3 mm -72.76 137.91 22.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-N 114.943 -1.026 . . . . 60.78 108.475 176.373 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -122.29 99.46 6.43 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 109.523 -0.547 . . . . 86.55 109.523 176.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 18.6 p -87.87 2.02 52.52 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.692 0.627 . . . . 81.14 112.692 178.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.9 ttpp -49.34 -52.69 26.45 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 118.125 0.421 . . . . 98.42 111.607 -177.86 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.522 ' NH1' ' HD2' ' A' ' 62' ' ' LYS . 3.0 ptm180 -101.74 18.36 20.64 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 112.621 0.6 . . . . 99.22 112.621 179.696 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 42.7 tp -54.27 -44.24 98.41 Favored Pre-proline 0 C--O 1.257 1.452 0 CA-C-O 118.033 -0.984 . . . . 83.2 113.516 173.47 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.626 ' HG3' ' NZ ' ' A' ' 6' ' ' LYS . 85.0 Cg_exo -57.22 -47.58 21.84 Favored 'Trans proline' 0 C--O 1.238 0.512 0 CA-C-N 122.296 1.856 . . . . 87.12 112.897 -179.334 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 87' ' ' ARG . 2.1 pt-20 -64.91 -26.23 68.22 Favored 'General case' 0 C--O 1.242 0.666 0 C-N-CA 119.776 -0.77 . . . . 102.96 111.973 176.723 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 87' ' ' ARG . 87.2 t -74.55 -45.39 45.55 Favored 'Isoleucine or valine' 0 C--N 1.342 0.267 0 C-N-CA 120.51 -0.476 . . . . 77.44 110.904 178.264 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 95.3 mt -52.93 -45.68 51.88 Favored 'Isoleucine or valine' 0 C--O 1.242 0.668 0 CA-C-O 121.476 0.655 . . . . 76.47 110.726 175.102 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.427 HH22 ' HB3' ' A' ' 90' ' ' GLU . 39.8 ttp-105 -66.64 -54.11 26.75 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 116.061 -0.518 . . . . 102.22 110.635 -176.909 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.3 m -50.87 -38.42 49.36 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.366 -0.379 . . . . 77.93 111.148 179.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 22.5 mtp85 -71.72 -33.5 68.79 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 119.735 -0.786 . . . . 78.89 111.074 -177.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.636 ' HE2' HD23 ' B' ' 107' ' ' LEU . 71.9 mttt -67.56 -52.56 37.3 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 121.006 -0.278 . . . . 78.87 111.131 174.824 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 38.4 mt -53.66 -46.29 70.54 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.053 0.454 . . . . 84.54 111.043 178.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -62.34 -45.99 90.69 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 120.593 -0.443 . . . . 91.19 111.168 179.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 33.4 tp10 -63.73 -33.85 76.56 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 118.389 -1.325 . . . . 89.61 110.903 178.038 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.4 tt -65.03 -50.45 66.2 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 119.488 -0.885 . . . . 85.01 110.839 179.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.402 ' HA ' ' HB3' ' A' ' 104' ' ' LYS . 6.2 mt-10 -84.16 -3.54 58.2 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 116.875 -1.93 . . . . 93.62 112.78 -175.371 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -65.35 -38.13 89.17 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 118.818 -1.153 . . . . 92.05 109.79 155.634 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 53.3 tp -69.91 -38.14 76.17 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 119.719 -0.792 . . . . 83.09 111.003 174.661 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.402 ' HB3' ' HA ' ' A' ' 101' ' ' GLU . 48.8 tttt -55.8 -40.76 73.16 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.399 -0.52 . . . . 90.08 111.922 -179.086 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -74.16 -29.99 62.05 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 117.351 -1.74 . . . . 99.58 112.034 -177.073 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 20.1 mtp -65.02 -28.52 69.55 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 118.169 -1.413 . . . . 94.38 110.654 174.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.2 mt -74.76 -32.38 62.05 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.726 -0.389 . . . . 97.0 111.358 177.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -81.31 2.38 28.44 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 124.352 1.061 . . . . 99.17 113.381 175.04 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 . . . . . 0 N--CA 1.471 0.602 0 N-CA-C 116.407 2.002 . . . . 111.09 116.407 176.181 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.237 0.423 0 N-CA-C 111.858 0.318 . . . . 107.54 111.858 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 31.4 m -54.82 -18.11 4.4 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.002 -0.679 . . . . 98.18 111.62 171.468 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.46 -48.82 46.88 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 118.079 0.4 . . . . 95.44 111.589 176.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 15.8 tp -69.7 -36.34 75.87 Favored 'General case' 0 C--O 1.24 0.597 0 C-N-CA 119.975 -0.69 . . . . 94.3 111.755 -178.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 7.8 mt -56.53 -32.44 65.11 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.018 -0.673 . . . . 90.89 111.575 175.366 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -79.34 -30.65 42.81 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 119.623 -0.831 . . . . 98.91 112.22 178.763 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.1 mt -63.38 -48.02 89.2 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 CA-C-O 121.371 0.605 . . . . 89.44 109.92 168.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.97 -47.59 82.5 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.31 -0.405 . . . . 90.52 110.834 -177.849 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 47.0 ttm-85 -62.02 -33.81 75.05 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 112.404 0.52 . . . . 93.19 112.404 -178.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -71.62 -16.75 62.29 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 112.622 0.601 . . . . 103.8 112.622 173.696 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 63.1 mt -87.85 -54.04 8.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 118.482 0.583 . . . . 91.19 111.47 176.589 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -138.86 34.19 2.12 Favored Glycine 0 C--N 1.337 0.612 0 N-CA-C 115.739 1.056 . . . . 86.78 115.739 -175.197 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.08 -159.16 53.45 Favored Glycine 0 CA--C 1.52 0.348 0 C-N-CA 118.327 -1.892 . . . . 85.18 111.998 174.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ASP . . . . . 0.612 ' O ' ' HG2' ' B' ' 24' ' ' GLU . 1.0 OUTLIER -74.09 -19.98 60.42 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 119.515 -0.874 . . . . 105.08 113.035 -176.813 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.549 ' HG2' HG11 ' B' ' 46' ' ' VAL . 3.3 tp10 -67.06 -42.99 83.82 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 119.773 -0.771 . . . . 104.33 110.996 174.45 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.42 -49.64 66.88 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 120.975 0.417 . . . . 77.8 111.176 171.107 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 50.8 t -54.22 -44.0 63.04 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 CA-C-O 120.805 0.335 . . . . 80.29 110.49 -179.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.612 ' HG2' ' O ' ' B' ' 20' ' ' ASP . 32.5 mm-40 -75.46 -32.99 60.81 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 118.786 -1.166 . . . . 94.08 111.849 -176.837 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 57.6 t -58.98 -44.23 90.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 C-N-CA 120.464 -0.494 . . . . 71.84 110.385 170.514 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 19.5 t -70.04 -48.05 64.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 O-C-N 121.81 -0.556 . . . . 74.64 110.373 -179.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -54.28 -34.6 61.23 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 121.952 -0.468 . . . . 81.26 111.034 176.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.61 -47.63 31.18 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 120.634 0.254 . . . . 76.36 110.877 176.575 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.4 ' HA ' HD12 ' B' ' 29' ' ' LEU . 1.9 tp -56.9 -26.43 59.02 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 112.097 0.406 . . . . 86.16 112.097 177.377 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -77.08 -59.75 2.65 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 119.855 -0.738 . . . . 96.3 111.108 172.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -60.59 -20.86 61.74 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 119.761 -0.776 . . . . 90.8 112.666 -173.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt -100.92 -15.33 17.57 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 113.599 0.963 . . . . 85.72 113.599 176.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.17 -70.64 2.75 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 118.583 0.629 . . . . 91.97 112.646 -176.559 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.525 ' HA ' ' O ' ' B' ' 81' ' ' TRP . 3.8 mt-10 -119.3 162.19 19.17 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.766 -0.827 . . . . 102.94 108.766 172.461 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -167.47 146.25 4.9 Favored 'General case' 0 CA--C 1.515 -0.4 0 C-N-CA 119.403 -0.919 . . . . 77.89 109.503 177.579 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' THR . . . . . 0.633 HG22 ' H ' ' B' ' 38' ' ' GLU . 79.9 m -67.52 160.04 28.45 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 121.853 0.835 . . . . 80.21 109.811 166.759 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 30.3 p-10 -63.5 -41.46 98.54 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 116.822 -1.951 . . . . 80.21 110.43 168.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.633 ' H ' HG22 ' B' ' 36' ' ' THR . 82.2 mt-10 -68.03 -28.88 67.79 Favored 'General case' 0 CA--C 1.509 -0.601 0 C-N-CA 120.334 -0.546 . . . . 63.48 111.487 -178.314 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.602 ' OE2' ' O ' ' B' ' 201' ' ' HOH . 1.0 OUTLIER -74.13 -35.13 64.09 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 117.413 -1.715 . . . . 97.37 111.444 174.645 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 48.6 mt -65.61 -43.21 90.32 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 119.509 -0.876 . . . . 68.6 110.891 175.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.73 -44.41 73.5 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 119.979 -0.688 . . . . 58.19 111.054 175.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -70.22 -41.57 73.42 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 118.597 -1.241 . . . . 56.99 111.322 -177.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 63.8 mt -61.86 -40.78 96.54 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 120.635 -0.426 . . . . 61.53 111.642 -177.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 72.5 p -98.63 -5.51 31.66 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 112.767 0.655 . . . . 61.14 112.767 -172.179 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.52 44.49 57.93 Favored Glycine 0 C--O 1.244 0.756 0 N-CA-C 115.402 0.921 . . . . 63.96 115.402 176.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' VAL . . . . . 0.549 HG11 ' HG2' ' B' ' 21' ' ' GLU . 2.9 m -129.85 162.62 37.18 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.452 0 CA-C-N 117.822 0.811 . . . . 70.26 108.943 179.617 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -60.24 144.54 50.03 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 114.991 -1.004 . . . . 110.45 109.356 174.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 74.7 t -60.98 -39.87 83.63 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 C-N-CA 119.344 -0.942 . . . . 77.74 110.261 -173.245 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' ASN . . . . . 0.536 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 26.7 m-20 -69.63 -30.92 68.74 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 119.739 -0.784 . . . . 93.72 112.015 -172.408 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 1.3 p -73.82 -23.12 59.61 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 117.737 -1.585 . . . . 86.38 112.5 175.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 24.0 t -66.74 -37.58 79.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-N 119.111 0.869 . . . . 82.79 109.961 166.206 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.416 ' HG2' ' CE2' ' B' ' 56' ' ' TYR . 8.7 ttm180 -70.13 -41.68 73.61 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 119.017 -1.073 . . . . 104.76 111.021 -173.434 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.536 ' HG3' ' O ' ' B' ' 49' ' ' ASN . 31.6 mttm -58.92 -46.33 88.2 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 120.482 -0.487 . . . . 96.22 111.002 174.689 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 30.5 mt -55.41 -43.11 70.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 O-C-N 122.06 -0.4 . . . . 89.64 110.986 177.775 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 21.3 mt -70.6 -35.32 72.94 Favored 'General case' 0 C--O 1.241 0.628 0 C-N-CA 119.602 -0.839 . . . . 96.58 111.747 -173.379 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' TYR . . . . . 0.416 ' CE2' ' HG2' ' B' ' 52' ' ' ARG . 22.9 m-85 -72.91 -35.92 67.18 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.381 -0.528 . . . . 113.28 111.308 -178.402 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.33 -39.3 79.07 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 120.754 -0.378 . . . . 103.96 111.012 171.425 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 31.0 mt -74.05 -14.76 61.05 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 112.498 0.555 . . . . 100.28 112.498 176.119 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -82.13 -39.93 22.59 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 117.634 0.197 . . . . 102.85 111.1 174.751 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -73.37 -14.3 61.26 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 124.292 1.037 . . . . 114.08 112.929 176.319 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.71 18.56 11.4 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 122.801 0.44 . . . . 103.84 111.569 167.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' LYS . . . . . 0.546 ' HB3' ' HD3' ' B' ' 87' ' ' ARG . 12.9 mmtt 37.2 43.02 0.32 Allowed 'General case' 0 C--O 1.236 0.375 0 C-N-CA 125.013 1.325 . . . . 112.97 111.899 -174.367 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 31.8 mt -105.44 -20.47 13.47 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 124.012 0.925 . . . . 106.22 113.154 174.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -128.11 142.04 51.32 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.014 0.526 . . . . 102.42 109.603 -174.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 2.8 p -131.16 179.89 5.74 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 108.375 -0.972 . . . . 106.07 108.375 173.232 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -164.11 165.03 22.64 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.241 0.543 . . . . 103.46 109.991 -177.811 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 41.5 ptt85 -140.39 149.63 42.9 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.244 -0.889 . . . . 102.07 110.151 178.477 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.491 ' HG2' ' HB2' ' B' ' 77' ' ' TYR . 1.7 tmm_? -103.78 100.49 10.29 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.28 0.632 . . . . 118.69 110.317 -176.209 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 94.0 t -89.16 155.1 3.13 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 C-N-CA 124.41 1.084 . . . . 109.01 108.403 166.027 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 31.0 ttt-85 -128.71 134.11 48.37 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 121.869 -0.519 . . . . 111.44 110.539 -174.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -84.35 122.07 28.41 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 108.374 -0.972 . . . . 106.31 108.374 172.749 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' ASP . . . . . 0.521 ' C ' ' HG3' ' B' ' 73' ' ' GLU . 0.7 OUTLIER -78.01 18.76 0.47 Allowed 'General case' 0 C--O 1.237 0.419 0 N-CA-C 114.966 1.469 . . . . 115.66 114.966 -163.051 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.521 ' HG3' ' C ' ' B' ' 72' ' ' ASP . 1.8 mt-10 -151.11 -23.49 0.21 Allowed 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 124.608 1.163 . . . . 103.51 113.902 -169.863 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' THR . . . . . 0.4 ' C ' ' H ' ' B' ' 76' ' ' TRP . 11.8 p -84.47 -15.63 45.38 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 119.276 -0.969 . . . . 97.77 109.433 151.265 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.34 -15.1 0.2 Allowed Glycine 0 N--CA 1.439 -1.143 0 CA-C-O 118.956 -0.913 . . . . 107.53 114.021 -165.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' TRP . . . . . 0.4 ' H ' ' C ' ' B' ' 74' ' ' THR . 43.8 m0 -50.55 158.26 0.64 Allowed 'General case' 0 C--O 1.237 0.43 0 C-N-CA 125.94 1.696 . . . . 105.74 111.07 178.902 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' TYR . . . . . 0.491 ' HB2' ' HG2' ' B' ' 68' ' ' ARG . 0.3 OUTLIER -134.36 151.45 51.23 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 118.666 -1.214 . . . . 112.77 111.381 171.009 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -120.3 131.01 54.71 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 124.934 1.293 . . . . 99.53 110.266 -169.411 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' TYR . . . . . 0.427 ' HE2' ' HG3' ' B' ' 68' ' ' ARG . 12.2 m-30 -96.84 106.24 18.51 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 109.255 -0.646 . . . . 106.63 109.255 -174.301 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -86.01 113.45 22.11 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 123.376 0.67 . . . . 97.37 109.921 179.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' TRP . . . . . 0.525 ' O ' ' HA ' ' B' ' 34' ' ' GLU . 59.7 m95 -89.15 164.31 15.07 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 121.987 0.899 . . . . 90.74 111.946 -179.418 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -158.42 151.33 22.49 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 107.865 -1.161 . . . . 120.66 107.865 -179.73 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 38.4 mm -71.77 136.9 24.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 CA-C-N 115.785 -0.643 . . . . 97.61 109.551 172.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -95.23 84.38 4.05 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.945 0.879 . . . . 112.23 108.909 -179.407 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 11.9 p -73.81 -9.1 58.31 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-N 115.616 -0.72 . . . . 101.36 112.942 178.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' LYS . . . . . 0.44 ' HE3' ' HB3' ' B' ' 86' ' ' LYS . 7.5 ttpt -49.11 -60.92 2.38 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.485 0.659 . . . . 113.86 111.197 168.564 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' ARG . . . . . 0.546 ' HD3' ' HB3' ' B' ' 62' ' ' LYS . 14.5 mtp180 -81.4 -4.15 54.92 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 113.674 0.991 . . . . 124.02 113.674 -173.048 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' B' ' 90' ' ' GLU . 13.1 tp -69.39 -65.83 1.11 Allowed Pre-proline 0 C--O 1.238 0.498 0 C-N-CA 118.601 -1.24 . . . . 105.07 112.547 -164.945 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' PRO . . . . . 0.404 ' HD3' ' HB3' ' B' ' 88' ' ' LEU . 51.5 Cg_exo -50.27 -14.66 1.07 Allowed 'Trans proline' 0 C--N 1.356 0.964 0 N-CA-C 115.385 1.263 . . . . 104.27 115.385 -163.205 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' B' ' 88' ' ' LEU . 52.8 mm-40 -100.32 -24.07 14.62 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 113.825 1.046 . . . . 116.97 113.825 177.175 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 2.6 m -75.92 -25.91 17.39 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 C-N-CA 116.794 -1.962 . . . . 100.11 109.854 165.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' ILE . . . . . 0.45 HG13 ' HG ' ' B' ' 88' ' ' LEU . 3.7 mt -58.49 -32.92 46.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 CA-C-O 121.596 0.712 . . . . 93.06 110.08 175.713 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 9.7 ttt85 -113.11 -19.74 11.74 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 118.966 -1.094 . . . . 102.21 112.091 -165.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' THR . . . . . 0.58 ' O ' ' HG3' ' B' ' 98' ' ' GLN . 87.0 m -47.57 -47.24 28.49 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.109 -0.636 . . . . 87.39 110.776 150.17 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 7.8 mtp-105 -61.08 -41.16 96.14 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.357 -0.537 . . . . 103.27 111.449 178.078 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -63.17 -28.13 69.84 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 120.471 -0.491 . . . . 96.59 111.77 178.146 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 79.3 mt -94.32 -34.05 12.97 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 113.557 0.947 . . . . 83.17 113.557 -175.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' GLN . . . . . 0.58 ' HG3' ' O ' ' B' ' 94' ' ' THR . 19.0 mt-30 -64.44 -36.81 85.39 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 119.116 -1.034 . . . . 100.36 110.348 171.922 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -62.19 -44.13 97.29 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 120.415 -0.514 . . . . 83.29 110.823 172.219 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 8.5 tp -59.93 -30.59 69.16 Favored 'General case' 0 C--O 1.24 0.587 0 C-N-CA 119.807 -0.757 . . . . 77.91 111.092 176.055 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 32.9 tp10 -75.11 -39.66 60.43 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 118.215 -1.394 . . . . 94.03 111.133 -175.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -73.27 -33.96 65.53 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 116.835 -1.946 . . . . 91.65 110.818 -179.293 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 21.8 tp -54.36 -42.38 70.24 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 119.733 -0.787 . . . . 71.94 111.233 165.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -63.67 -31.42 72.58 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 119.402 -0.919 . . . . 75.41 111.234 179.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -79.92 -41.78 25.43 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.208 -0.597 . . . . 93.58 111.262 -178.405 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' MET . . . . . . . . . . . . . 48.4 mtp -48.77 -47.15 42.0 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 119.923 -0.711 . . . . 82.8 111.146 165.471 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' LEU . . . . . 0.636 HD23 ' HE2' ' A' ' 96' ' ' LYS . 62.4 mt -83.59 28.54 0.56 Allowed 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.925 0.713 . . . . 89.0 112.925 175.36 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -126.93 -19.49 4.42 Favored 'General case' 0 C--N 1.321 -0.663 0 O-C-N 121.207 -0.933 . . . . 85.58 111.844 169.33 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 . . . . . 0 N--CA 1.472 0.639 0 C-N-CA 125.87 1.668 . . . . 97.86 112.787 176.005 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . 0.554 ' O ' ' ND2' ' A' ' 49' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 0.602 ' O ' ' OE2' ' B' ' 39' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_