data_6hcz_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 6hcz _Structure_validation_residue.Date_analyzed 2020-03-13 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 ' 12' ' ' SER . . . . . . . . . . . . . 52.1 p . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 122.002 0.906 . . . . 140.59 110.514 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -155.57 -42.34 0.08 Allowed 'General case' 0 C--O 1.248 0.985 0 CA-C-N 114.18 -1.373 . . . . 119.02 108.183 -154.996 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 71.79 133.8 0.04 OUTLIER Pre-proline 0 N--CA 1.472 0.66 0 C-N-CA 123.73 0.812 . . . . 129.41 110.731 170.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -63.33 163.52 23.2 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 121.431 1.42 . . . . 104.22 113.442 173.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -63.57 147.45 92.98 Favored 'Trans proline' 0 C--O 1.214 -0.714 0 C-N-CA 122.001 1.8 . . . . 96.1 110.643 159.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.6 p -86.26 170.14 12.36 Favored 'General case' 0 N--CA 1.439 -1.007 0 O-C-N 123.663 0.602 . . . . 86.38 109.86 -176.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -57.67 -48.55 79.2 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 114.502 -1.226 . . . . 131.76 108.667 177.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.38 -56.83 8.28 Favored 'General case' 0 C--O 1.257 1.49 0 C-N-CA 126.366 1.866 . . . . 91.02 111.857 175.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -55.95 -50.81 69.75 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.57 -0.741 . . . . 89.8 110.043 -176.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.3 p -73.09 -21.5 60.75 Favored 'General case' 0 C--O 1.21 -1.024 0 C-N-CA 119.282 -0.967 . . . . 83.86 109.457 -171.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -68.84 -49.87 54.73 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.54 -0.541 . . . . 122.27 109.54 170.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.4 t -61.33 -39.21 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 N-CA-C 107.743 -1.206 . . . . 83.09 107.743 -175.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.7 tp -60.86 -43.69 98.03 Favored 'General case' 0 C--O 1.224 -0.284 0 C-N-CA 120.213 -0.595 . . . . 78.98 112.355 179.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.5 tp60 -68.9 -41.17 78.6 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 107.697 -1.223 . . . . 99.88 107.697 -174.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.61 -50.06 66.47 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 124.945 1.298 . . . . 74.17 111.266 173.377 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -38.32 84.94 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-O 122.593 1.187 . . . . 76.0 108.153 -172.591 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -64.03 -45.67 87.84 Favored 'General case' 0 N--CA 1.394 -3.262 0 CA-C-N 114.113 -1.403 . . . . 88.02 109.713 177.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -63.47 -48.51 77.37 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 121.593 -0.692 . . . . 122.84 109.826 177.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -48.22 -52.56 20.44 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-O 122.098 0.951 . . . . 99.58 109.326 177.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.1 mm-40 -65.84 -36.26 82.98 Favored 'General case' 0 N--CA 1.402 -2.837 0 CA-C-O 118.658 -0.687 . . . . 68.99 109.716 -171.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ASP . . . . . 0.518 ' OD2' ' NH2' ' A' ' 36' ' ' ARG . 21.9 t0 -66.31 -40.44 89.97 Favored 'General case' 0 N--CA 1.446 -0.641 0 O-C-N 123.49 0.494 . . . . 97.66 109.929 -179.053 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.9 mtm-85 -67.16 -43.05 83.24 Favored 'General case' 0 C--O 1.209 -1.044 0 O-C-N 123.797 0.685 . . . . 117.06 109.89 178.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 57.0 mt -54.57 -45.46 71.51 Favored 'Isoleucine or valine' 0 C--O 1.255 1.394 0 N-CA-C 108.657 -0.868 . . . . 65.62 108.657 176.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.0 m -66.39 -42.81 87.37 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 118.711 -1.196 . . . . 69.76 110.804 -175.349 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ARG . . . . . 0.518 ' NH2' ' OD2' ' A' ' 32' ' ' ASP . 6.9 ttp-105 -61.99 -48.6 79.62 Favored 'General case' 0 C--O 1.252 1.229 0 C-N-CA 123.542 0.737 . . . . 100.11 109.101 -178.981 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.9 mt -61.13 -45.7 93.6 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.932 -0.576 . . . . 91.58 110.867 176.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 44.0 ttm -57.95 -51.95 67.53 Favored 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 107.22 -1.4 . . . . 71.13 107.22 -177.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -52.32 -42.05 55.74 Favored Glycine 0 N--CA 1.504 3.196 0 CA-C-O 123.075 1.375 . . . . 66.37 113.112 -179.634 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -68.59 -49.94 55.48 Favored 'General case' 0 N--CA 1.389 -3.5 0 O-C-N 121.319 -1.106 . . . . 77.77 109.053 -173.349 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -54.56 -38.67 66.92 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.025 0.93 . . . . 87.11 110.694 174.026 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 31.6 mt -61.49 -39.6 91.54 Favored 'General case' 0 C--O 1.201 -1.486 0 C-N-CA 119.465 -0.894 . . . . 78.04 109.591 178.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.2 mt -79.86 -16.83 54.64 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 109.573 -0.529 . . . . 88.32 109.573 -171.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.34 9.7 35.74 Favored 'General case' 0 N--CA 1.439 -1.005 0 C-N-CA 124.115 0.966 . . . . 116.72 112.182 -175.777 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 115.35 6.72 17.57 Favored Glycine 0 N--CA 1.48 1.616 0 N-CA-C 115.832 1.093 . . . . 95.35 115.832 167.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -94.83 141.66 28.37 Favored 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 108.074 -1.084 . . . . 86.06 108.074 -178.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -108.81 142.84 38.79 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 107.942 -1.132 . . . . 124.13 107.942 -175.274 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 50.6 ttm -75.86 139.87 41.92 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-N 115.596 -0.729 . . . . 83.69 109.078 -176.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.4 mt -97.52 155.17 17.07 Favored 'General case' 0 C--O 1.207 -1.165 0 N-CA-C 108.097 -1.075 . . . . 88.29 108.097 171.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -86.3 59.21 4.68 Favored Glycine 0 C--O 1.193 -2.458 0 N-CA-C 109.78 -1.328 . . . . 79.88 109.78 173.089 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 63.8 tt0 -169.72 140.31 2.12 Favored 'General case' 0 N--CA 1.432 -1.332 0 N-CA-C 108.505 -0.924 . . . . 92.59 108.505 -165.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.6 p -109.02 144.82 36.52 Favored 'General case' 0 N--CA 1.437 -1.093 0 CA-C-O 124.702 2.192 . . . . 81.26 111.337 -177.648 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 43.1 t -54.4 129.72 36.75 Favored 'General case' 0 N--CA 1.417 -2.091 0 CA-C-N 113.323 -1.762 . . . . 84.04 108.372 177.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.97 -32.2 63.34 Favored 'General case' 0 C--O 1.217 -0.607 0 C-N-CA 123.149 0.58 . . . . 92.58 109.951 -173.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -68.6 -47.3 67.07 Favored 'General case' 0 C--O 1.204 -1.293 0 C-N-CA 123.576 0.75 . . . . 111.7 111.436 173.419 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 5.0 p -127.67 -12.03 5.49 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 114.982 1.475 . . . . 91.09 114.982 -160.74 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.05 -16.26 61.47 Favored Glycine 0 CA--C 1.527 0.819 0 CA-C-N 120.549 1.522 . . . . 78.37 114.253 172.896 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 29.5 m -65.73 140.6 58.46 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 117.83 0.815 . . . . 71.34 112.262 -178.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.6 mt -57.52 141.69 14.19 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.534 0 N-CA-C 108.924 -0.769 . . . . 86.07 108.924 171.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 84.2 mt -98.21 157.36 16.21 Favored 'General case' 0 C--O 1.264 1.834 0 CA-C-N 115.443 -0.799 . . . . 75.96 108.919 -174.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 83.3 mt -123.87 161.01 26.2 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 114.517 -1.219 . . . . 81.84 109.157 175.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -122.91 141.26 52.1 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 122.427 1.108 . . . . 97.27 109.712 161.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.8 p30 -84.31 179.51 7.43 Favored 'General case' 0 N--CA 1.429 -1.519 0 N-CA-C 107.534 -1.284 . . . . 101.83 107.534 174.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -70.69 -11.11 60.74 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.536 -0.756 . . . . 134.73 111.578 -170.138 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -101.55 15.29 29.35 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 117.802 0.274 . . . . 132.99 110.395 173.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.1 mtt180 62.7 23.16 13.79 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.537 1.135 . . . . 106.63 113.018 177.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -75.56 136.85 40.53 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 107.065 -1.457 . . . . 124.78 107.065 166.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 97.7 mt -84.28 148.7 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.926 0 N-CA-C 106.136 -1.801 . . . . 88.74 106.136 173.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -152.96 118.15 5.18 Favored 'General case' 0 C--O 1.265 1.892 0 O-C-N 125.512 1.758 . . . . 100.16 109.335 -160.374 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 23.3 t -104.81 113.93 27.83 Favored 'General case' 0 C--O 1.251 1.135 0 C-N-CA 124.383 1.073 . . . . 80.21 109.115 172.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.2 m -62.87 -35.36 70.79 Favored 'Isoleucine or valine' 0 C--N 1.353 0.736 0 O-C-N 125.109 1.506 . . . . 75.9 109.527 -175.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.11 -58.18 4.89 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 107.916 -1.142 . . . . 85.4 107.916 178.896 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 25.8 m -67.57 -44.21 78.75 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 115.451 -0.795 . . . . 97.66 110.439 -170.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -99.48 21.33 12.33 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-N 117.935 0.334 . . . . 117.43 110.563 -170.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -158.25 9.91 0.16 Allowed 'General case' 0 C--O 1.211 -0.944 0 CA-C-O 118.684 -0.674 . . . . 121.42 112.3 171.277 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 75.6 mt . . . . . 0 N--CA 1.479 0.988 0 CA-C-N 119.09 0.859 . . . . 129.0 109.61 -179.839 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' TRP . . . . . 0.436 ' O ' ' CE3' ' B' ' 13' ' ' TRP . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 122.502 1.144 . . . . 134.66 109.727 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -118.3 164.41 20.44 Favored Pre-proline 0 N--CA 1.44 -0.952 0 N-CA-C 104.97 -2.234 . . . . 124.2 104.97 144.481 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -68.19 150.71 77.05 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 N-CA-C 108.478 -1.393 . . . . 93.48 108.478 -173.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -57.33 151.49 52.16 Favored 'Trans proline' 0 C--O 1.244 0.824 0 N-CA-C 106.763 -2.053 . . . . 96.93 106.763 171.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 71.3 p -70.66 158.88 35.44 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-O 122.028 0.918 . . . . 88.91 109.583 174.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -62.5 -32.43 73.34 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 121.239 -0.913 . . . . 123.62 108.839 177.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.26 -50.82 72.52 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 123.67 0.788 . . . . 82.52 109.443 177.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -63.97 -30.13 71.23 Favored 'General case' 0 N--CA 1.425 -1.684 0 CA-C-N 115.575 -0.738 . . . . 77.32 109.64 -177.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 24.6 p -77.01 -34.37 57.44 Favored 'General case' 0 C--O 1.221 -0.398 0 C-N-CA 118.055 -1.458 . . . . 82.95 109.43 -176.467 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -70.08 -45.64 66.57 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-O 122.009 0.909 . . . . 111.56 110.26 179.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 42.3 t -61.88 -40.84 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.923 0 N-CA-C 108.479 -0.934 . . . . 75.49 108.479 179.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 37.1 tp -67.32 -40.42 85.97 Favored 'General case' 0 C--O 1.204 -1.296 0 C-N-CA 119.243 -0.983 . . . . 76.5 110.573 -178.072 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 41.5 tp60 -69.6 -35.63 75.47 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 109.252 -0.647 . . . . 83.18 109.252 -179.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.24 -47.32 82.93 Favored 'General case' 0 C--O 1.205 -1.286 0 CA-C-O 123.84 1.781 . . . . 69.41 110.21 177.965 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -38.08 85.26 Favored 'General case' 0 N--CA 1.42 -1.929 0 CA-C-N 113.403 -1.726 . . . . 76.06 109.11 -176.466 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -63.1 -53.17 57.79 Favored 'General case' 0 C--O 1.189 -2.128 0 C-N-CA 124.719 1.208 . . . . 84.58 108.234 176.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -62.84 -43.22 99.37 Favored 'General case' 0 C--O 1.204 -1.302 0 N-CA-C 109.301 -0.629 . . . . 110.21 109.301 -174.021 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ARG . . . . . 0.55 ' NH1' ' O ' ' B' ' 77' ' ' ASP . 3.5 ttp85 -55.93 -49.12 74.38 Favored 'General case' 0 N--CA 1.429 -1.522 0 CA-C-O 121.748 0.785 . . . . 83.48 111.836 178.628 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -67.17 -37.88 84.5 Favored 'General case' 0 N--CA 1.421 -1.924 0 N-CA-C 107.751 -1.203 . . . . 71.41 107.751 -174.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -57.53 -43.43 84.36 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 108.939 -0.763 . . . . 107.13 108.939 177.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -67.79 -38.77 83.78 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.954 0.883 . . . . 111.77 109.732 -176.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 28.6 mt -65.92 -46.65 87.83 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.824 0 O-C-N 121.394 -0.816 . . . . 67.7 109.334 -177.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 58.1 m -56.73 -40.24 75.35 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.057 0.143 . . . . 70.54 110.734 174.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 19.7 ttp-105 -70.65 -42.74 70.4 Favored 'General case' 0 C--O 1.207 -1.163 0 N-CA-C 109.117 -0.698 . . . . 96.18 109.117 -175.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 12.3 mt -65.07 -43.03 93.56 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.082 -1.011 . . . . 85.89 113.48 175.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 44.2 ttm -59.38 -48.34 81.99 Favored 'General case' 0 N--CA 1.417 -2.078 0 N-CA-C 108.454 -0.943 . . . . 73.71 108.454 178.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -55.63 -45.81 83.8 Favored Glycine 0 CA--C 1.529 0.958 0 CA-C-N 115.887 -0.597 . . . . 70.86 111.851 175.456 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -58.12 -48.34 80.52 Favored 'General case' 0 C--O 1.193 -1.877 0 CA-C-N 117.23 0.515 . . . . 80.59 110.335 -178.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' TYR . . . . . 0.469 ' CD1' ' CE2' ' B' ' 46' ' ' TYR . 33.7 m-85 -70.92 -34.98 72.06 Favored 'General case' 0 C--O 1.204 -1.342 0 O-C-N 122.186 -0.321 . . . . 78.56 111.649 -176.775 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 46.2 mt -60.19 -42.35 94.87 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 109.173 -0.677 . . . . 86.18 109.173 172.221 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 69.6 mt -67.09 -37.41 83.9 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 117.52 -1.229 . . . . 75.41 108.361 -179.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' ARG . . . . . 0.405 ' NH1' ' CE1' ' B' ' 41' ' ' TYR . 31.2 mtp180 -75.8 1.94 13.56 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 124.249 0.968 . . . . 116.05 111.267 177.48 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.17 1.64 38.61 Favored Glycine 0 N--CA 1.481 1.698 0 N-CA-C 116.26 1.264 . . . . 81.11 116.26 169.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' TYR . . . . . 0.469 ' CE2' ' CD1' ' B' ' 41' ' ' TYR . 3.9 m-30 -66.29 151.81 46.27 Favored 'General case' 0 N--CA 1.515 2.793 0 CA-C-N 119.319 1.559 . . . . 85.55 108.421 179.213 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 22.6 ttp180 -95.35 132.07 40.77 Favored 'General case' 0 C--O 1.262 1.72 0 O-C-N 121.065 -1.022 . . . . 108.6 109.199 175.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 46.3 ttm -70.22 134.71 48.32 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 124.267 0.98 . . . . 84.66 109.33 164.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 34.0 mt -100.2 161.82 13.36 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 124.228 1.011 . . . . 88.87 109.425 170.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -90.65 33.34 4.64 Favored Glycine 0 C--N 1.336 0.577 0 CA-C-N 115.578 -0.737 . . . . 117.57 112.038 174.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -130.29 151.87 50.33 Favored 'General case' 0 C--N 1.342 0.28 0 N-CA-C 107.966 -1.124 . . . . 135.8 107.966 178.101 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 50.9 p -111.07 151.26 28.26 Favored 'General case' 0 C--O 1.209 -1.065 0 C-N-CA 124.176 0.99 . . . . 95.61 109.812 175.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 42.8 t -56.85 128.12 35.15 Favored 'General case' 0 C--O 1.209 -1.046 0 C-N-CA 124.183 0.993 . . . . 88.25 109.156 174.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.05 -26.01 66.54 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 124.065 0.853 . . . . 101.13 111.511 179.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -82.81 -38.89 22.46 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.488 1.292 . . . . 114.03 114.488 -176.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 13.1 p -130.63 -11.25 3.95 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.414 0.894 . . . . 83.11 113.414 -169.683 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.89 -6.09 66.79 Favored Glycine 0 C--O 1.212 -1.261 0 CA-C-O 119.269 -0.739 . . . . 79.91 113.045 173.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 98.8 m -71.9 135.07 46.4 Favored 'General case' 0 C--O 1.213 -0.822 0 CA-C-N 117.865 0.832 . . . . 79.79 110.834 -174.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 78.5 mt -54.24 137.16 15.41 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.231 0 C-N-CA 123.458 0.703 . . . . 81.5 109.264 172.213 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 76.6 mt -96.68 148.32 22.99 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.406 1.082 . . . . 79.03 108.698 -173.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 45.1 mt -118.91 153.81 33.98 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 106.338 -1.727 . . . . 79.61 106.338 -179.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -123.73 136.26 54.34 Favored 'General case' 0 C--O 1.22 -0.494 0 O-C-N 125.752 1.907 . . . . 88.15 108.83 175.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -102.21 102.85 13.32 Favored 'General case' 0 N--CA 1.434 -1.248 0 N-CA-C 106.558 -1.645 . . . . 95.85 106.558 179.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 63.7 mttt 46.45 -127.7 1.46 Allowed 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 124.631 1.173 . . . . 119.91 109.667 -177.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -113.56 32.32 5.88 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 118.299 0.5 . . . . 101.91 110.005 167.408 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -91.26 -54.71 3.81 Favored 'General case' 0 C--O 1.199 -1.576 0 C-N-CA 124.346 1.058 . . . . 140.06 109.488 178.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 18.5 pttm -160.09 163.99 33.42 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 122.764 1.268 . . . . 110.22 113.008 -174.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 24.5 mt -103.72 141.63 19.06 Favored 'Isoleucine or valine' 0 C--O 1.244 0.786 0 CA-C-N 112.545 -2.116 . . . . 91.62 106.655 169.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -138.27 134.15 33.99 Favored 'General case' 0 N--CA 1.425 -1.713 0 CA-C-N 115.566 -0.743 . . . . 94.57 109.461 -169.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' CYS . . . . . . . . . . . . . 43.4 t -109.13 116.1 31.29 Favored 'General case' 0 C--O 1.237 0.415 0 O-C-N 125.203 1.564 . . . . 81.99 109.277 168.419 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' VAL . . . . . . . . . . . . . 22.3 m -68.84 -29.09 42.3 Favored 'Isoleucine or valine' 0 C--O 1.245 0.846 0 CA-C-O 121.507 0.67 . . . . 78.61 109.868 -170.174 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.89 -68.34 0.47 Allowed 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.042 -0.981 . . . . 78.63 109.108 179.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' CYS . . . . . . . . . . . . . 92.4 m -57.71 -50.16 74.13 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 114.902 -1.044 . . . . 91.14 110.49 -173.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -92.87 4.54 53.71 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 117.711 -1.138 . . . . 93.89 112.066 -168.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -141.12 -53.47 0.47 Allowed 'General case' 0 N--CA 1.5 2.047 0 CA-C-N 120.342 1.428 . . . . 100.88 113.084 177.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 16.8 mt -85.58 -43.13 13.76 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 120.756 -1.215 . . . . 112.24 110.884 -174.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' ASP . . . . . 0.55 ' O ' ' NH1' ' B' ' 30' ' ' ARG . 86.1 m-20 . . . . . 0 N--CA 1.496 1.835 0 C-N-CA 128.29 2.636 . . . . 132.31 110.154 -179.501 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.1 p . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 122.002 0.906 . . . . 140.59 110.514 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -155.57 -42.34 0.08 Allowed 'General case' 0 C--O 1.248 0.985 0 CA-C-N 114.18 -1.373 . . . . 119.02 108.183 -154.996 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 71.79 133.8 0.04 OUTLIER Pre-proline 0 N--CA 1.472 0.66 0 C-N-CA 123.73 0.812 . . . . 129.41 110.731 170.107 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -63.33 163.52 23.2 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 121.431 1.42 . . . . 104.22 113.442 173.015 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -63.57 147.45 92.98 Favored 'Trans proline' 0 C--O 1.214 -0.714 0 C-N-CA 122.001 1.8 . . . . 96.099999999999994 110.643 159.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.6 p -86.26 170.14 12.36 Favored 'General case' 0 N--CA 1.439 -1.007 0 O-C-N 123.663 0.602 . . . . 86.379999999999995 109.86 -176.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -57.67 -48.55 79.2 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 114.502 -1.226 . . . . 131.75999999999999 108.667 177.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.38 -56.83 8.28 Favored 'General case' 0 C--O 1.257 1.49 0 C-N-CA 126.366 1.866 . . . . 91.019999999999996 111.857 175.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -55.95 -50.81 69.75 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.57 -0.741 . . . . 89.799999999999997 110.043 -176.215 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.3 p -73.09 -21.5 60.75 Favored 'General case' 0 C--O 1.21 -1.024 0 C-N-CA 119.282 -0.967 . . . . 83.859999999999999 109.457 -171.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -68.84 -49.87 54.73 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.54 -0.541 . . . . 122.27 109.54 170.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.4 t -61.33 -39.21 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 N-CA-C 107.743 -1.206 . . . . 83.090000000000003 107.743 -175.204 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.7 tp -60.86 -43.69 98.03 Favored 'General case' 0 C--O 1.224 -0.284 0 C-N-CA 120.213 -0.595 . . . . 78.980000000000004 112.355 179.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.5 tp60 -68.9 -41.17 78.6 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 107.697 -1.223 . . . . 99.879999999999995 107.697 -174.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.61 -50.06 66.47 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 124.945 1.298 . . . . 74.170000000000002 111.266 173.377 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -67.26 -38.32 84.94 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-O 122.593 1.187 . . . . 76.0 108.153 -172.591 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ARG . . . . . 0.424 ' N ' ' HG3' ' A' ' 27' ' ' ARG . 1.9 ttt180 -64.03 -45.67 87.84 Favored 'General case' 0 N--CA 1.394 -3.262 0 CA-C-N 114.113 -1.403 . . . . 88.019999999999996 109.713 177.865 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -63.47 -48.51 77.37 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 121.593 -0.692 . . . . 122.84 109.826 177.264 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ARG . . . . . 0.508 ' NH2' ' HB1' ' A' ' 72' ' ' ALA . 13.3 ttt180 -48.22 -52.56 20.44 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-O 122.098 0.951 . . . . 99.579999999999998 109.326 177.801 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.1 mm-40 -65.84 -36.26 82.98 Favored 'General case' 0 N--CA 1.402 -2.837 0 CA-C-O 118.658 -0.687 . . . . 68.989999999999995 109.716 -171.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -66.31 -40.44 89.97 Favored 'General case' 0 N--CA 1.446 -0.641 0 O-C-N 123.49 0.494 . . . . 97.659999999999997 109.929 -179.053 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.9 mtm-85 -67.16 -43.05 83.24 Favored 'General case' 0 C--O 1.209 -1.044 0 O-C-N 123.797 0.685 . . . . 117.06 109.89 178.255 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 57.0 mt -54.57 -45.46 71.51 Favored 'Isoleucine or valine' 0 C--O 1.255 1.394 0 N-CA-C 108.657 -0.868 . . . . 65.620000000000005 108.657 176.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.0 m -66.39 -42.81 87.37 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 118.711 -1.196 . . . . 69.760000000000005 110.804 -175.349 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.9 ttp-105 -61.99 -48.6 79.62 Favored 'General case' 0 C--O 1.252 1.229 0 C-N-CA 123.542 0.737 . . . . 100.11 109.101 -178.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.9 mt -61.13 -45.7 93.6 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.932 -0.576 . . . . 91.579999999999998 110.867 176.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 44.0 ttm -57.95 -51.95 67.53 Favored 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 107.22 -1.4 . . . . 71.129999999999995 107.22 -177.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -52.32 -42.05 55.74 Favored Glycine 0 N--CA 1.504 3.196 0 CA-C-O 123.075 1.375 . . . . 66.370000000000005 113.112 -179.634 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -68.59 -49.94 55.48 Favored 'General case' 0 N--CA 1.389 -3.5 0 O-C-N 121.319 -1.106 . . . . 77.769999999999996 109.053 -173.349 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -54.56 -38.67 66.92 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.025 0.93 . . . . 87.109999999999999 110.694 174.026 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 31.6 mt -61.49 -39.6 91.54 Favored 'General case' 0 C--O 1.201 -1.486 0 C-N-CA 119.465 -0.894 . . . . 78.040000000000006 109.591 178.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.2 mt -79.86 -16.83 54.64 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 109.573 -0.529 . . . . 88.319999999999993 109.573 -171.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.34 9.7 35.74 Favored 'General case' 0 N--CA 1.439 -1.005 0 C-N-CA 124.115 0.966 . . . . 116.72 112.182 -175.777 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 115.35 6.72 17.57 Favored Glycine 0 N--CA 1.48 1.616 0 N-CA-C 115.832 1.093 . . . . 95.349999999999994 115.832 167.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -94.83 141.66 28.37 Favored 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 108.074 -1.084 . . . . 86.060000000000002 108.074 -178.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ARG . . . . . 0.551 HH22 ' C ' ' A' ' 63' ' ' ASP . 0.2 OUTLIER -108.81 142.84 38.79 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 107.942 -1.132 . . . . 124.13 107.942 -175.274 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 48' ' ' MET . . . . . 0.442 ' HB3' ' HG2' ' B' ' 20' ' ' GLU . 50.6 ttm -75.86 139.87 41.92 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-N 115.596 -0.729 . . . . 83.689999999999998 109.078 -176.413 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.4 mt -97.52 155.17 17.07 Favored 'General case' 0 C--O 1.207 -1.165 0 N-CA-C 108.097 -1.075 . . . . 88.290000000000006 108.097 171.91 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -86.3 59.21 4.68 Favored Glycine 0 C--O 1.193 -2.458 0 N-CA-C 109.78 -1.328 . . . . 79.879999999999995 109.78 173.089 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 63.8 tt0 -169.72 140.31 2.12 Favored 'General case' 0 N--CA 1.432 -1.332 0 N-CA-C 108.505 -0.924 . . . . 92.590000000000003 108.505 -165.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.6 p -109.02 144.82 36.52 Favored 'General case' 0 N--CA 1.437 -1.093 0 CA-C-O 124.702 2.192 . . . . 81.260000000000005 111.337 -177.648 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 43.1 t -54.4 129.72 36.75 Favored 'General case' 0 N--CA 1.417 -2.091 0 CA-C-N 113.323 -1.762 . . . . 84.040000000000006 108.372 177.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.97 -32.2 63.34 Favored 'General case' 0 C--O 1.217 -0.607 0 C-N-CA 123.149 0.58 . . . . 92.579999999999998 109.951 -173.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -68.6 -47.3 67.07 Favored 'General case' 0 C--O 1.204 -1.293 0 C-N-CA 123.576 0.75 . . . . 111.7 111.436 173.419 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 5.0 p -127.67 -12.03 5.49 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 114.982 1.475 . . . . 91.090000000000003 114.982 -160.74 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.05 -16.26 61.47 Favored Glycine 0 CA--C 1.527 0.819 0 CA-C-N 120.549 1.522 . . . . 78.370000000000005 114.253 172.896 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 29.5 m -65.73 140.6 58.46 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 117.83 0.815 . . . . 71.340000000000003 112.262 -178.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.6 mt -57.52 141.69 14.19 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.534 0 N-CA-C 108.924 -0.769 . . . . 86.069999999999993 108.924 171.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 84.2 mt -98.21 157.36 16.21 Favored 'General case' 0 C--O 1.264 1.834 0 CA-C-N 115.443 -0.799 . . . . 75.959999999999994 108.919 -174.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 48' ' ' MET . 83.3 mt -123.87 161.01 26.2 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 114.517 -1.219 . . . . 81.840000000000003 109.157 175.621 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -122.91 141.26 52.1 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 122.427 1.108 . . . . 97.269999999999996 109.712 161.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ASP . . . . . 0.551 ' C ' HH22 ' A' ' 47' ' ' ARG . 33.8 p30 -84.31 179.51 7.43 Favored 'General case' 0 N--CA 1.429 -1.519 0 N-CA-C 107.534 -1.284 . . . . 101.83 107.534 174.546 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' LYS . . . . . 0.503 ' HA ' ' NH1' ' A' ' 47' ' ' ARG . 12.2 mttt -70.69 -11.11 60.74 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.536 -0.756 . . . . 134.72999999999999 111.578 -170.138 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -101.55 15.29 29.35 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 117.802 0.274 . . . . 132.99000000000001 110.395 173.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.1 mtt180 62.7 23.16 13.79 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.537 1.135 . . . . 106.63 113.018 177.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -75.56 136.85 40.53 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 107.065 -1.457 . . . . 124.78 107.065 166.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 97.7 mt -84.28 148.7 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.926 0 N-CA-C 106.136 -1.801 . . . . 88.739999999999995 106.136 173.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -152.96 118.15 5.18 Favored 'General case' 0 C--O 1.265 1.892 0 O-C-N 125.512 1.758 . . . . 100.16 109.335 -160.374 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 23.3 t -104.81 113.93 27.83 Favored 'General case' 0 C--O 1.251 1.135 0 C-N-CA 124.383 1.073 . . . . 80.209999999999994 109.115 172.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.2 m -62.87 -35.36 70.79 Favored 'Isoleucine or valine' 0 C--N 1.353 0.736 0 O-C-N 125.109 1.506 . . . . 75.900000000000006 109.527 -175.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ALA . . . . . 0.508 ' HB1' ' NH2' ' A' ' 30' ' ' ARG . . . -68.11 -58.18 4.89 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 107.916 -1.142 . . . . 85.400000000000006 107.916 178.896 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 25.8 m -67.57 -44.21 78.75 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 115.451 -0.795 . . . . 97.659999999999997 110.439 -170.75 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -99.48 21.33 12.33 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-N 117.935 0.334 . . . . 117.43000000000001 110.563 -170.236 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' GLU . . . . . 0.583 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 5.5 tt0 -158.25 9.91 0.16 Allowed 'General case' 0 C--O 1.211 -0.944 0 CA-C-O 118.684 -0.674 . . . . 121.42 112.3 171.277 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 75' ' ' GLU . 75.6 mt . . . . . 0 N--CA 1.479 0.988 0 CA-C-N 119.09 0.859 . . . . 129.0 109.61 -179.839 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' TRP . . . . . 0.436 ' O ' ' CE3' ' B' ' 13' ' ' TRP . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 122.502 1.144 . . . . 134.66 109.727 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -118.3 164.41 20.44 Favored Pre-proline 0 N--CA 1.44 -0.952 0 N-CA-C 104.97 -2.234 . . . . 124.2 104.97 144.481 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -68.19 150.71 77.05 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 N-CA-C 108.478 -1.393 . . . . 93.480000000000004 108.478 -173.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -57.33 151.49 52.16 Favored 'Trans proline' 0 C--O 1.244 0.824 0 N-CA-C 106.763 -2.053 . . . . 96.930000000000007 106.763 171.087 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 71.3 p -70.66 158.88 35.44 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-O 122.028 0.918 . . . . 88.909999999999997 109.583 174.705 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -62.5 -32.43 73.34 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 121.239 -0.913 . . . . 123.62 108.839 177.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.26 -50.82 72.52 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 123.67 0.788 . . . . 82.519999999999996 109.443 177.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLU . . . . . 0.442 ' HG2' ' HB3' ' A' ' 48' ' ' MET . 74.5 mt-10 -63.97 -30.13 71.23 Favored 'General case' 0 N--CA 1.425 -1.684 0 CA-C-N 115.575 -0.738 . . . . 77.319999999999993 109.64 -177.963 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 24.6 p -77.01 -34.37 57.44 Favored 'General case' 0 C--O 1.221 -0.398 0 C-N-CA 118.055 -1.458 . . . . 82.950000000000003 109.43 -176.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -70.08 -45.64 66.57 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-O 122.009 0.909 . . . . 111.56 110.26 179.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 42.3 t -61.88 -40.84 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.923 0 N-CA-C 108.479 -0.934 . . . . 75.489999999999995 108.479 179.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 37.1 tp -67.32 -40.42 85.97 Favored 'General case' 0 C--O 1.204 -1.296 0 C-N-CA 119.243 -0.983 . . . . 76.5 110.573 -178.072 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 41.5 tp60 -69.6 -35.63 75.47 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 109.252 -0.647 . . . . 83.180000000000007 109.252 -179.696 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.24 -47.32 82.93 Favored 'General case' 0 C--O 1.205 -1.286 0 CA-C-O 123.84 1.781 . . . . 69.409999999999997 110.21 177.965 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -38.08 85.26 Favored 'General case' 0 N--CA 1.42 -1.929 0 CA-C-N 113.403 -1.726 . . . . 76.060000000000002 109.11 -176.466 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -63.1 -53.17 57.79 Favored 'General case' 0 C--O 1.189 -2.128 0 C-N-CA 124.719 1.208 . . . . 84.579999999999998 108.234 176.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -62.84 -43.22 99.37 Favored 'General case' 0 C--O 1.204 -1.302 0 N-CA-C 109.301 -0.629 . . . . 110.20999999999999 109.301 -174.021 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ARG . . . . . 0.55 ' NH1' ' O ' ' B' ' 77' ' ' ASP . 3.5 ttp85 -55.93 -49.12 74.38 Favored 'General case' 0 N--CA 1.429 -1.522 0 CA-C-O 121.748 0.785 . . . . 83.480000000000004 111.836 178.628 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -67.17 -37.88 84.5 Favored 'General case' 0 N--CA 1.421 -1.924 0 N-CA-C 107.751 -1.203 . . . . 71.409999999999997 107.751 -174.774 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -57.53 -43.43 84.36 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 108.939 -0.763 . . . . 107.13 108.939 177.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -67.79 -38.77 83.78 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.954 0.883 . . . . 111.77 109.732 -176.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 28.6 mt -65.92 -46.65 87.83 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.824 0 O-C-N 121.394 -0.816 . . . . 67.700000000000003 109.334 -177.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 58.1 m -56.73 -40.24 75.35 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.057 0.143 . . . . 70.540000000000006 110.734 174.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 19.7 ttp-105 -70.65 -42.74 70.4 Favored 'General case' 0 C--O 1.207 -1.163 0 N-CA-C 109.117 -0.698 . . . . 96.180000000000007 109.117 -175.587 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' LEU . . . . . 0.656 HD12 HD11 ' B' ' 76' ' ' LEU . 12.3 mt -65.07 -43.03 93.56 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.082 -1.011 . . . . 85.890000000000001 113.48 175.672 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 44.2 ttm -59.38 -48.34 81.99 Favored 'General case' 0 N--CA 1.417 -2.078 0 N-CA-C 108.454 -0.943 . . . . 73.709999999999994 108.454 178.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -55.63 -45.81 83.8 Favored Glycine 0 CA--C 1.529 0.958 0 CA-C-N 115.887 -0.597 . . . . 70.859999999999999 111.851 175.456 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -58.12 -48.34 80.52 Favored 'General case' 0 C--O 1.193 -1.877 0 CA-C-N 117.23 0.515 . . . . 80.590000000000003 110.335 -178.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' TYR . . . . . 0.469 ' CD1' ' CE2' ' B' ' 46' ' ' TYR . 33.7 m-85 -70.92 -34.98 72.06 Favored 'General case' 0 C--O 1.204 -1.342 0 O-C-N 122.186 -0.321 . . . . 78.560000000000002 111.649 -176.775 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 46.2 mt -60.19 -42.35 94.87 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 109.173 -0.677 . . . . 86.180000000000007 109.173 172.221 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 69.6 mt -67.09 -37.41 83.9 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 117.52 -1.229 . . . . 75.409999999999997 108.361 -179.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' ARG . . . . . 0.405 ' NH1' ' CE1' ' B' ' 41' ' ' TYR . 31.2 mtp180 -75.8 1.94 13.56 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 124.249 0.968 . . . . 116.05 111.267 177.48 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.17 1.64 38.61 Favored Glycine 0 N--CA 1.481 1.698 0 N-CA-C 116.26 1.264 . . . . 81.109999999999999 116.26 169.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' TYR . . . . . 0.469 ' CE2' ' CD1' ' B' ' 41' ' ' TYR . 3.9 m-30 -66.29 151.81 46.27 Favored 'General case' 0 N--CA 1.515 2.793 0 CA-C-N 119.319 1.559 . . . . 85.549999999999997 108.421 179.213 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 22.6 ttp180 -95.35 132.07 40.77 Favored 'General case' 0 C--O 1.262 1.72 0 O-C-N 121.065 -1.022 . . . . 108.59999999999999 109.199 175.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 46.3 ttm -70.22 134.71 48.32 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 124.267 0.98 . . . . 84.659999999999997 109.33 164.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 34.0 mt -100.2 161.82 13.36 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 124.228 1.011 . . . . 88.870000000000005 109.425 170.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -90.65 33.34 4.64 Favored Glycine 0 C--N 1.336 0.577 0 CA-C-N 115.578 -0.737 . . . . 117.56999999999999 112.038 174.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -130.29 151.87 50.33 Favored 'General case' 0 C--N 1.342 0.28 0 N-CA-C 107.966 -1.124 . . . . 135.80000000000001 107.966 178.101 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 50.9 p -111.07 151.26 28.26 Favored 'General case' 0 C--O 1.209 -1.065 0 C-N-CA 124.176 0.99 . . . . 95.609999999999999 109.812 175.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 42.8 t -56.85 128.12 35.15 Favored 'General case' 0 C--O 1.209 -1.046 0 C-N-CA 124.183 0.993 . . . . 88.25 109.156 174.334 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.05 -26.01 66.54 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 124.065 0.853 . . . . 101.13 111.511 179.366 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -82.81 -38.89 22.46 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.488 1.292 . . . . 114.03 114.488 -176.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 13.1 p -130.63 -11.25 3.95 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.414 0.894 . . . . 83.109999999999999 113.414 -169.683 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.89 -6.09 66.79 Favored Glycine 0 C--O 1.212 -1.261 0 CA-C-O 119.269 -0.739 . . . . 79.909999999999997 113.045 173.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 98.8 m -71.9 135.07 46.4 Favored 'General case' 0 C--O 1.213 -0.822 0 CA-C-N 117.865 0.832 . . . . 79.790000000000006 110.834 -174.735 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 78.5 mt -54.24 137.16 15.41 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.231 0 C-N-CA 123.458 0.703 . . . . 81.5 109.264 172.213 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 76.6 mt -96.68 148.32 22.99 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.406 1.082 . . . . 79.030000000000001 108.698 -173.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 45.1 mt -118.91 153.81 33.98 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 106.338 -1.727 . . . . 79.609999999999999 106.338 -179.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -123.73 136.26 54.34 Favored 'General case' 0 C--O 1.22 -0.494 0 O-C-N 125.752 1.907 . . . . 88.150000000000006 108.83 175.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -102.21 102.85 13.32 Favored 'General case' 0 N--CA 1.434 -1.248 0 N-CA-C 106.558 -1.645 . . . . 95.849999999999994 106.558 179.178 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 63.7 mttt 46.45 -127.7 1.46 Allowed 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 124.631 1.173 . . . . 119.91 109.667 -177.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -113.56 32.32 5.88 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 118.299 0.5 . . . . 101.91 110.005 167.408 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -91.26 -54.71 3.81 Favored 'General case' 0 C--O 1.199 -1.576 0 C-N-CA 124.346 1.058 . . . . 140.06 109.488 178.371 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 18.5 pttm -160.09 163.99 33.42 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 122.764 1.268 . . . . 110.22 113.008 -174.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 24.5 mt -103.72 141.63 19.06 Favored 'Isoleucine or valine' 0 C--O 1.244 0.786 0 CA-C-N 112.545 -2.116 . . . . 91.620000000000005 106.655 169.032 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -138.27 134.15 33.99 Favored 'General case' 0 N--CA 1.425 -1.713 0 CA-C-N 115.566 -0.743 . . . . 94.569999999999993 109.461 -169.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' CYS . . . . . . . . . . . . . 43.4 t -109.13 116.1 31.29 Favored 'General case' 0 C--O 1.237 0.415 0 O-C-N 125.203 1.564 . . . . 81.989999999999995 109.277 168.419 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' VAL . . . . . . . . . . . . . 22.3 m -68.84 -29.09 42.3 Favored 'Isoleucine or valine' 0 C--O 1.245 0.846 0 CA-C-O 121.507 0.67 . . . . 78.609999999999999 109.868 -170.174 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.89 -68.34 0.47 Allowed 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.042 -0.981 . . . . 78.629999999999995 109.108 179.44 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' CYS . . . . . . . . . . . . . 92.4 m -57.71 -50.16 74.13 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 114.902 -1.044 . . . . 91.140000000000001 110.49 -173.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -92.87 4.54 53.71 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 117.711 -1.138 . . . . 93.890000000000001 112.066 -168.161 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -141.12 -53.47 0.47 Allowed 'General case' 0 N--CA 1.5 2.047 0 CA-C-N 120.342 1.428 . . . . 100.88 113.084 177.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' LEU . . . . . 0.656 HD11 HD12 ' B' ' 37' ' ' LEU . 16.8 mt -85.58 -43.13 13.76 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 120.756 -1.215 . . . . 112.23999999999999 110.884 -174.308 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 77' ' ' ASP . . . . . 0.55 ' O ' ' NH1' ' B' ' 30' ' ' ARG . 86.1 m-20 . . . . . 0 N--CA 1.496 1.835 0 C-N-CA 128.29 2.636 . . . . 132.31 110.154 -179.501 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.1 p . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 122.002 0.906 . . . . 140.59 110.514 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -155.57 -42.34 0.08 Allowed 'General case' 0 C--O 1.248 0.985 0 CA-C-N 114.18 -1.373 . . . . 119.02 108.183 -154.996 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 71.79 133.8 0.04 OUTLIER Pre-proline 0 N--CA 1.472 0.66 0 C-N-CA 123.73 0.812 . . . . 129.41 110.731 170.107 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -63.33 163.52 23.2 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 121.431 1.42 . . . . 104.22 113.442 173.015 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -63.57 147.45 92.98 Favored 'Trans proline' 0 C--O 1.214 -0.714 0 C-N-CA 122.001 1.8 . . . . 96.1 110.643 159.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.6 p -86.26 170.14 12.36 Favored 'General case' 0 N--CA 1.439 -1.007 0 O-C-N 123.663 0.602 . . . . 86.38 109.86 -176.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -57.67 -48.55 79.2 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 114.502 -1.226 . . . . 131.76 108.667 177.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.38 -56.83 8.28 Favored 'General case' 0 C--O 1.257 1.49 0 C-N-CA 126.366 1.866 . . . . 91.02 111.857 175.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -55.95 -50.81 69.75 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.57 -0.741 . . . . 89.8 110.043 -176.215 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.3 p -73.09 -21.5 60.75 Favored 'General case' 0 C--O 1.21 -1.024 0 C-N-CA 119.282 -0.967 . . . . 83.86 109.457 -171.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -68.84 -49.87 54.73 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.54 -0.541 . . . . 122.27 109.54 170.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.4 t -61.33 -39.21 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 N-CA-C 107.743 -1.206 . . . . 83.09 107.743 -175.204 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.7 tp -60.86 -43.69 98.03 Favored 'General case' 0 C--O 1.224 -0.284 0 C-N-CA 120.213 -0.595 . . . . 78.98 112.355 179.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.5 tp60 -68.9 -41.17 78.6 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 107.697 -1.223 . . . . 99.88 107.697 -174.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.61 -50.06 66.47 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 124.945 1.298 . . . . 74.17 111.266 173.377 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -67.26 -38.32 84.94 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-O 122.593 1.187 . . . . 76.0 108.153 -172.591 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.424 ' N ' ' HG3' ' A' ' 27' ' ' ARG . 1.9 ttt180 -64.03 -45.67 87.84 Favored 'General case' 0 N--CA 1.394 -3.262 0 CA-C-N 114.113 -1.403 . . . . 88.02 109.713 177.865 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -63.47 -48.51 77.37 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 121.593 -0.692 . . . . 122.84 109.826 177.264 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.508 ' NH2' ' HB1' ' A' ' 72' ' ' ALA . 13.3 ttt180 -48.22 -52.56 20.44 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-O 122.098 0.951 . . . . 99.58 109.326 177.801 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.1 mm-40 -65.84 -36.26 82.98 Favored 'General case' 0 N--CA 1.402 -2.837 0 CA-C-O 118.658 -0.687 . . . . 68.99 109.716 -171.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -66.31 -40.44 89.97 Favored 'General case' 0 N--CA 1.446 -0.641 0 O-C-N 123.49 0.494 . . . . 97.66 109.929 -179.053 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.9 mtm-85 -67.16 -43.05 83.24 Favored 'General case' 0 C--O 1.209 -1.044 0 O-C-N 123.797 0.685 . . . . 117.06 109.89 178.255 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 57.0 mt -54.57 -45.46 71.51 Favored 'Isoleucine or valine' 0 C--O 1.255 1.394 0 N-CA-C 108.657 -0.868 . . . . 65.62 108.657 176.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.0 m -66.39 -42.81 87.37 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 118.711 -1.196 . . . . 69.76 110.804 -175.349 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.9 ttp-105 -61.99 -48.6 79.62 Favored 'General case' 0 C--O 1.252 1.229 0 C-N-CA 123.542 0.737 . . . . 100.11 109.101 -178.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.9 mt -61.13 -45.7 93.6 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.932 -0.576 . . . . 91.58 110.867 176.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 44.0 ttm -57.95 -51.95 67.53 Favored 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 107.22 -1.4 . . . . 71.13 107.22 -177.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -52.32 -42.05 55.74 Favored Glycine 0 N--CA 1.504 3.196 0 CA-C-O 123.075 1.375 . . . . 66.37 113.112 -179.634 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -68.59 -49.94 55.48 Favored 'General case' 0 N--CA 1.389 -3.5 0 O-C-N 121.319 -1.106 . . . . 77.77 109.053 -173.349 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -54.56 -38.67 66.92 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.025 0.93 . . . . 87.11 110.694 174.026 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 31.6 mt -61.49 -39.6 91.54 Favored 'General case' 0 C--O 1.201 -1.486 0 C-N-CA 119.465 -0.894 . . . . 78.04 109.591 178.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.2 mt -79.86 -16.83 54.64 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 109.573 -0.529 . . . . 88.32 109.573 -171.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.34 9.7 35.74 Favored 'General case' 0 N--CA 1.439 -1.005 0 C-N-CA 124.115 0.966 . . . . 116.72 112.182 -175.777 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 115.35 6.72 17.57 Favored Glycine 0 N--CA 1.48 1.616 0 N-CA-C 115.832 1.093 . . . . 95.35 115.832 167.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -94.83 141.66 28.37 Favored 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 108.074 -1.084 . . . . 86.06 108.074 -178.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.551 HH22 ' C ' ' A' ' 63' ' ' ASP . 0.2 OUTLIER -108.81 142.84 38.79 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 107.942 -1.132 . . . . 124.13 107.942 -175.274 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' MET . . . . . 0.442 ' HB3' ' HG2' ' B' ' 20' ' ' GLU . 50.6 ttm -75.86 139.87 41.92 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-N 115.596 -0.729 . . . . 83.69 109.078 -176.413 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.4 mt -97.52 155.17 17.07 Favored 'General case' 0 C--O 1.207 -1.165 0 N-CA-C 108.097 -1.075 . . . . 88.29 108.097 171.91 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -86.3 59.21 4.68 Favored Glycine 0 C--O 1.193 -2.458 0 N-CA-C 109.78 -1.328 . . . . 79.88 109.78 173.089 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 63.8 tt0 -169.72 140.31 2.12 Favored 'General case' 0 N--CA 1.432 -1.332 0 N-CA-C 108.505 -0.924 . . . . 92.59 108.505 -165.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.6 p -109.02 144.82 36.52 Favored 'General case' 0 N--CA 1.437 -1.093 0 CA-C-O 124.702 2.192 . . . . 81.26 111.337 -177.648 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 43.1 t -54.4 129.72 36.75 Favored 'General case' 0 N--CA 1.417 -2.091 0 CA-C-N 113.323 -1.762 . . . . 84.04 108.372 177.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.97 -32.2 63.34 Favored 'General case' 0 C--O 1.217 -0.607 0 C-N-CA 123.149 0.58 . . . . 92.58 109.951 -173.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -68.6 -47.3 67.07 Favored 'General case' 0 C--O 1.204 -1.293 0 C-N-CA 123.576 0.75 . . . . 111.7 111.436 173.419 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 5.0 p -127.67 -12.03 5.49 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 114.982 1.475 . . . . 91.09 114.982 -160.74 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.05 -16.26 61.47 Favored Glycine 0 CA--C 1.527 0.819 0 CA-C-N 120.549 1.522 . . . . 78.37 114.253 172.896 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 29.5 m -65.73 140.6 58.46 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 117.83 0.815 . . . . 71.34 112.262 -178.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.6 mt -57.52 141.69 14.19 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.534 0 N-CA-C 108.924 -0.769 . . . . 86.07 108.924 171.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 84.2 mt -98.21 157.36 16.21 Favored 'General case' 0 C--O 1.264 1.834 0 CA-C-N 115.443 -0.799 . . . . 75.96 108.919 -174.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 48' ' ' MET . 83.3 mt -123.87 161.01 26.2 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 114.517 -1.219 . . . . 81.84 109.157 175.621 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.406 HE21 ' HA ' ' A' ' 66' ' ' ARG . 5.5 pt20 -122.91 141.26 52.1 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 122.427 1.108 . . . . 97.27 109.712 161.962 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.551 ' C ' HH22 ' A' ' 47' ' ' ARG . 33.8 p30 -84.31 179.51 7.43 Favored 'General case' 0 N--CA 1.429 -1.519 0 N-CA-C 107.534 -1.284 . . . . 101.83 107.534 174.546 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.503 ' HA ' ' NH1' ' A' ' 47' ' ' ARG . 12.2 mttt -70.69 -11.11 60.74 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.536 -0.756 . . . . 134.73 111.578 -170.138 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -101.55 15.29 29.35 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 117.802 0.274 . . . . 132.99 110.395 173.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.406 ' HA ' HE21 ' A' ' 62' ' ' GLN . 22.1 mtt180 62.7 23.16 13.79 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.537 1.135 . . . . 106.63 113.018 177.057 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -75.56 136.85 40.53 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 107.065 -1.457 . . . . 124.78 107.065 166.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 97.7 mt -84.28 148.7 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.926 0 N-CA-C 106.136 -1.801 . . . . 88.74 106.136 173.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -152.96 118.15 5.18 Favored 'General case' 0 C--O 1.265 1.892 0 O-C-N 125.512 1.758 . . . . 100.16 109.335 -160.374 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 23.3 t -104.81 113.93 27.83 Favored 'General case' 0 C--O 1.251 1.135 0 C-N-CA 124.383 1.073 . . . . 80.21 109.115 172.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.2 m -62.87 -35.36 70.79 Favored 'Isoleucine or valine' 0 C--N 1.353 0.736 0 O-C-N 125.109 1.506 . . . . 75.9 109.527 -175.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.508 ' HB1' ' NH2' ' A' ' 30' ' ' ARG . . . -68.11 -58.18 4.89 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 107.916 -1.142 . . . . 85.4 107.916 178.896 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 25.8 m -67.57 -44.21 78.75 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 115.451 -0.795 . . . . 97.66 110.439 -170.75 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -99.48 21.33 12.33 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-N 117.935 0.334 . . . . 117.43 110.563 -170.236 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.583 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 5.5 tt0 -158.25 9.91 0.16 Allowed 'General case' 0 C--O 1.211 -0.944 0 CA-C-O 118.684 -0.674 . . . . 121.42 112.3 171.277 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 75' ' ' GLU . 75.6 mt . . . . . 0 N--CA 1.479 0.988 0 CA-C-N 119.09 0.859 . . . . 129.0 109.61 -179.839 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' TRP . . . . . 0.436 ' O ' ' CE3' ' B' ' 13' ' ' TRP . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 122.502 1.144 . . . . 134.66 109.727 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -118.3 164.41 20.44 Favored Pre-proline 0 N--CA 1.44 -0.952 0 N-CA-C 104.97 -2.234 . . . . 124.2 104.97 144.481 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -68.19 150.71 77.05 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 N-CA-C 108.478 -1.393 . . . . 93.48 108.478 -173.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -57.33 151.49 52.16 Favored 'Trans proline' 0 C--O 1.244 0.824 0 N-CA-C 106.763 -2.053 . . . . 96.93 106.763 171.087 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 71.3 p -70.66 158.88 35.44 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-O 122.028 0.918 . . . . 88.91 109.583 174.705 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -62.5 -32.43 73.34 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 121.239 -0.913 . . . . 123.62 108.839 177.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.26 -50.82 72.52 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 123.67 0.788 . . . . 82.52 109.443 177.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.442 ' HG2' ' HB3' ' A' ' 48' ' ' MET . 74.5 mt-10 -63.97 -30.13 71.23 Favored 'General case' 0 N--CA 1.425 -1.684 0 CA-C-N 115.575 -0.738 . . . . 77.32 109.64 -177.963 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 24.6 p -77.01 -34.37 57.44 Favored 'General case' 0 C--O 1.221 -0.398 0 C-N-CA 118.055 -1.458 . . . . 82.95 109.43 -176.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -70.08 -45.64 66.57 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-O 122.009 0.909 . . . . 111.56 110.26 179.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 42.3 t -61.88 -40.84 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.923 0 N-CA-C 108.479 -0.934 . . . . 75.49 108.479 179.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 37.1 tp -67.32 -40.42 85.97 Favored 'General case' 0 C--O 1.204 -1.296 0 C-N-CA 119.243 -0.983 . . . . 76.5 110.573 -178.072 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 41.5 tp60 -69.6 -35.63 75.47 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 109.252 -0.647 . . . . 83.18 109.252 -179.696 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.24 -47.32 82.93 Favored 'General case' 0 C--O 1.205 -1.286 0 CA-C-O 123.84 1.781 . . . . 69.41 110.21 177.965 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -38.08 85.26 Favored 'General case' 0 N--CA 1.42 -1.929 0 CA-C-N 113.403 -1.726 . . . . 76.06 109.11 -176.466 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -63.1 -53.17 57.79 Favored 'General case' 0 C--O 1.189 -2.128 0 C-N-CA 124.719 1.208 . . . . 84.58 108.234 176.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -62.84 -43.22 99.37 Favored 'General case' 0 C--O 1.204 -1.302 0 N-CA-C 109.301 -0.629 . . . . 110.21 109.301 -174.021 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.55 ' NH1' ' O ' ' B' ' 77' ' ' ASP . 3.5 ttp85 -55.93 -49.12 74.38 Favored 'General case' 0 N--CA 1.429 -1.522 0 CA-C-O 121.748 0.785 . . . . 83.48 111.836 178.628 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -67.17 -37.88 84.5 Favored 'General case' 0 N--CA 1.421 -1.924 0 N-CA-C 107.751 -1.203 . . . . 71.41 107.751 -174.774 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -57.53 -43.43 84.36 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 108.939 -0.763 . . . . 107.13 108.939 177.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -67.79 -38.77 83.78 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.954 0.883 . . . . 111.77 109.732 -176.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 28.6 mt -65.92 -46.65 87.83 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.824 0 O-C-N 121.394 -0.816 . . . . 67.7 109.334 -177.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 58.1 m -56.73 -40.24 75.35 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.057 0.143 . . . . 70.54 110.734 174.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 19.7 ttp-105 -70.65 -42.74 70.4 Favored 'General case' 0 C--O 1.207 -1.163 0 N-CA-C 109.117 -0.698 . . . . 96.18 109.117 -175.587 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.656 HD12 HD11 ' B' ' 76' ' ' LEU . 12.3 mt -65.07 -43.03 93.56 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.082 -1.011 . . . . 85.89 113.48 175.672 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 44.2 ttm -59.38 -48.34 81.99 Favored 'General case' 0 N--CA 1.417 -2.078 0 N-CA-C 108.454 -0.943 . . . . 73.71 108.454 178.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -55.63 -45.81 83.8 Favored Glycine 0 CA--C 1.529 0.958 0 CA-C-N 115.887 -0.597 . . . . 70.86 111.851 175.456 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -58.12 -48.34 80.52 Favored 'General case' 0 C--O 1.193 -1.877 0 CA-C-N 117.23 0.515 . . . . 80.59 110.335 -178.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' TYR . . . . . 0.469 ' CD1' ' CE2' ' B' ' 46' ' ' TYR . 33.7 m-85 -70.92 -34.98 72.06 Favored 'General case' 0 C--O 1.204 -1.342 0 O-C-N 122.186 -0.321 . . . . 78.56 111.649 -176.775 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 46.2 mt -60.19 -42.35 94.87 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 109.173 -0.677 . . . . 86.18 109.173 172.221 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 69.6 mt -67.09 -37.41 83.9 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 117.52 -1.229 . . . . 75.41 108.361 -179.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.405 ' NH1' ' CE1' ' B' ' 41' ' ' TYR . 31.2 mtp180 -75.8 1.94 13.56 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 124.249 0.968 . . . . 116.05 111.267 177.48 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.17 1.64 38.61 Favored Glycine 0 N--CA 1.481 1.698 0 N-CA-C 116.26 1.264 . . . . 81.11 116.26 169.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' TYR . . . . . 0.469 ' CE2' ' CD1' ' B' ' 41' ' ' TYR . 3.9 m-30 -66.29 151.81 46.27 Favored 'General case' 0 N--CA 1.515 2.793 0 CA-C-N 119.319 1.559 . . . . 85.55 108.421 179.213 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 22.6 ttp180 -95.35 132.07 40.77 Favored 'General case' 0 C--O 1.262 1.72 0 O-C-N 121.065 -1.022 . . . . 108.6 109.199 175.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 46.3 ttm -70.22 134.71 48.32 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 124.267 0.98 . . . . 84.66 109.33 164.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 34.0 mt -100.2 161.82 13.36 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 124.228 1.011 . . . . 88.87 109.425 170.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . -90.65 33.34 4.64 Favored Glycine 0 C--N 1.336 0.577 0 CA-C-N 115.578 -0.737 . . . . 117.57 112.038 174.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -130.29 151.87 50.33 Favored 'General case' 0 C--N 1.342 0.28 0 N-CA-C 107.966 -1.124 . . . . 135.8 107.966 178.101 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 50.9 p -111.07 151.26 28.26 Favored 'General case' 0 C--O 1.209 -1.065 0 C-N-CA 124.176 0.99 . . . . 95.61 109.812 175.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 42.8 t -56.85 128.12 35.15 Favored 'General case' 0 C--O 1.209 -1.046 0 C-N-CA 124.183 0.993 . . . . 88.25 109.156 174.334 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.05 -26.01 66.54 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 124.065 0.853 . . . . 101.13 111.511 179.366 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -82.81 -38.89 22.46 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.488 1.292 . . . . 114.03 114.488 -176.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 13.1 p -130.63 -11.25 3.95 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.414 0.894 . . . . 83.11 113.414 -169.683 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.89 -6.09 66.79 Favored Glycine 0 C--O 1.212 -1.261 0 CA-C-O 119.269 -0.739 . . . . 79.91 113.045 173.267 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 98.8 m -71.9 135.07 46.4 Favored 'General case' 0 C--O 1.213 -0.822 0 CA-C-N 117.865 0.832 . . . . 79.79 110.834 -174.735 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 78.5 mt -54.24 137.16 15.41 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.231 0 C-N-CA 123.458 0.703 . . . . 81.5 109.264 172.213 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 76.6 mt -96.68 148.32 22.99 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.406 1.082 . . . . 79.03 108.698 -173.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 45.1 mt -118.91 153.81 33.98 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 106.338 -1.727 . . . . 79.61 106.338 -179.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -123.73 136.26 54.34 Favored 'General case' 0 C--O 1.22 -0.494 0 O-C-N 125.752 1.907 . . . . 88.15 108.83 175.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -102.21 102.85 13.32 Favored 'General case' 0 N--CA 1.434 -1.248 0 N-CA-C 106.558 -1.645 . . . . 95.85 106.558 179.178 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 63.7 mttt 46.45 -127.7 1.46 Allowed 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 124.631 1.173 . . . . 119.91 109.667 -177.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -113.56 32.32 5.88 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 118.299 0.5 . . . . 101.91 110.005 167.408 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -91.26 -54.71 3.81 Favored 'General case' 0 C--O 1.199 -1.576 0 C-N-CA 124.346 1.058 . . . . 140.06 109.488 178.371 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 18.5 pttm -160.09 163.99 33.42 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 122.764 1.268 . . . . 110.22 113.008 -174.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 24.5 mt -103.72 141.63 19.06 Favored 'Isoleucine or valine' 0 C--O 1.244 0.786 0 CA-C-N 112.545 -2.116 . . . . 91.62 106.655 169.032 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -138.27 134.15 33.99 Favored 'General case' 0 N--CA 1.425 -1.713 0 CA-C-N 115.566 -0.743 . . . . 94.57 109.461 -169.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' CYS . . . . . . . . . . . . . 43.4 t -109.13 116.1 31.29 Favored 'General case' 0 C--O 1.237 0.415 0 O-C-N 125.203 1.564 . . . . 81.99 109.277 168.419 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' VAL . . . . . . . . . . . . . 22.3 m -68.84 -29.09 42.3 Favored 'Isoleucine or valine' 0 C--O 1.245 0.846 0 CA-C-O 121.507 0.67 . . . . 78.61 109.868 -170.174 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.89 -68.34 0.47 Allowed 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.042 -0.981 . . . . 78.63 109.108 179.44 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' CYS . . . . . . . . . . . . . 92.4 m -57.71 -50.16 74.13 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 114.902 -1.044 . . . . 91.14 110.49 -173.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -92.87 4.54 53.71 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 117.711 -1.138 . . . . 93.89 112.066 -168.161 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -141.12 -53.47 0.47 Allowed 'General case' 0 N--CA 1.5 2.047 0 CA-C-N 120.342 1.428 . . . . 100.88 113.084 177.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.656 HD11 HD12 ' B' ' 37' ' ' LEU . 16.8 mt -85.58 -43.13 13.76 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 120.756 -1.215 . . . . 112.24 110.884 -174.308 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' ASP . . . . . 0.55 ' O ' ' NH1' ' B' ' 30' ' ' ARG . 86.1 m-20 . . . . . 0 N--CA 1.496 1.835 0 C-N-CA 128.29 2.636 . . . . 132.31 110.154 -179.501 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_