data_6lyc_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 6lyc _Structure_validation_residue.Date_analyzed 2020-06-26 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 ' 6' ' ' THR . . . . . . . . . . . . . 6.4 t . . . . . 0 CA--C 1.533 0.297 0 CA-C-O 121.12 0.486 . . . . 77.25 111.466 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -73.55 169.07 18.0 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-O 121.736 0.779 . . . . 83.17 110.427 -176.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.8 p -62.27 142.03 17.04 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 CA-C-N 115.11 -0.95 . . . . 50.88 109.581 -177.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.4 mttp -114.41 142.42 46.37 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.58 -0.896 . . . . 65.26 108.58 174.13 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 81.0 t -107.24 120.59 58.83 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.527 0 N-CA-C 106.479 -1.674 . . . . 33.02 106.479 174.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.7 mt -113.86 110.74 33.23 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.414 0 N-CA-C 108.749 -0.834 . . . . 34.27 108.749 -169.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -110.16 102.04 49.72 Favored Pre-proline 0 C--O 1.234 0.246 0 N-CA-C 109.169 -0.678 . . . . 37.81 109.169 168.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -73.7 -18.03 22.59 Favored 'Trans proline' 0 C--O 1.242 0.711 0 N-CA-C 114.933 1.09 . . . . 45.92 114.933 -165.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLU . . . . . 0.7 ' OE1' ' O ' ' A' ' 301' ' ' HOH . 39.3 mt-10 -112.33 118.02 34.08 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 119.128 0.876 . . . . 62.56 110.0 -172.706 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -70.85 -23.7 62.38 Favored 'General case' 0 C--O 1.242 0.686 0 C-N-CA 120.651 -0.42 . . . . 69.63 111.873 178.061 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.2 p -156.95 151.97 26.09 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 121.51 0.672 . . . . 48.25 110.818 179.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.9 p -135.17 132.12 52.66 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 N-CA-C 107.711 -1.218 . . . . 36.16 107.711 176.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.2 m -105.5 133.09 50.81 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 107.351 -1.352 . . . . 43.77 107.351 178.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.6 p -142.66 138.59 28.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 N-CA-C 108.835 -0.802 . . . . 45.17 108.835 -175.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.64 139.32 39.46 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 121.181 0.515 . . . . 48.51 110.109 174.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.66 136.63 50.43 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.891 -0.781 . . . . 51.54 108.891 176.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 92.42 -23.11 29.25 Favored Glycine 0 N--CA 1.442 -0.919 0 N-CA-C 115.156 0.823 . . . . 46.1 115.156 -175.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -80.67 175.27 10.82 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 118.296 1.048 . . . . 50.96 108.629 176.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.1 m -113.8 157.0 22.85 Favored 'General case' 0 C--O 1.242 0.672 0 N-CA-C 108.912 -0.773 . . . . 47.27 108.912 174.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.0 t -143.23 164.21 30.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.68 0.753 . . . . 40.1 109.665 179.492 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.1 t -122.39 130.26 74.66 Favored 'Isoleucine or valine' 0 C--O 1.243 0.722 0 N-CA-C 107.154 -1.424 . . . . 32.33 107.154 -178.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 64.6 mt -100.18 115.02 28.88 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 106.585 -1.635 . . . . 38.06 106.585 172.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -89.88 135.5 33.6 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.117 0.484 . . . . 40.76 111.182 -172.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 42.9 t -150.23 131.82 14.86 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-N 114.945 -1.025 . . . . 28.78 108.557 171.258 178.319 178.814 -75.305 104.253 1.985 103.451 -159.526 178.833 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 61.7 p -130.99 153.92 48.72 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 108.403 -0.962 . . . . 34.13 108.403 172.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 mp -115.38 158.07 22.99 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 109.165 -0.68 . . . . 33.61 109.165 174.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.5 p -83.46 -8.86 59.29 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 118.454 -1.298 . . . . 39.65 113.041 175.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.3 t -163.64 158.53 20.62 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 107.625 -1.25 . . . . 37.53 107.625 -175.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.3 mt -93.59 -4.81 50.18 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 120.185 -0.606 . . . . 37.91 112.11 170.437 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 85.2 mt -99.76 153.44 37.77 Favored Pre-proline 0 C--N 1.313 -0.99 0 N-CA-C 109.718 -0.475 . . . . 44.47 109.718 -179.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -73.11 159.79 96.73 Favored 'Cis proline' 0 C--N 1.349 0.554 0 N-CA-C 108.955 -1.21 . . . . 43.21 108.955 -3.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.7 t -54.73 139.25 13.85 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 O-C-N 123.669 0.605 . . . . 37.11 110.227 -178.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.31 151.02 5.99 Favored Glycine 0 N--CA 1.44 -1.1 0 N-CA-C 110.994 -0.842 . . . . 31.02 110.994 -179.489 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -73.32 161.1 43.56 Favored 'Trans proline' 0 C--O 1.247 0.968 0 CA-C-O 123.169 1.237 . . . . 29.61 113.975 -173.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.2 mp -111.64 126.72 69.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 N-CA-C 105.595 -2.002 . . . . 24.62 105.595 171.15 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 52.5 mtt-85 -128.38 147.06 50.62 Favored 'General case' 0 C--N 1.316 -0.863 0 O-C-N 123.59 0.556 . . . . 30.88 110.337 -177.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 64.9 m95 -106.77 134.97 49.11 Favored 'General case' 0 C--O 1.249 1.07 0 N-CA-C 109.23 -0.656 . . . . 29.02 109.23 175.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -122.83 146.48 47.51 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 126.138 1.775 . . . . 38.39 110.384 178.244 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.6 mtp-105 -95.97 130.21 43.02 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 107.948 -1.13 . . . . 67.34 107.948 161.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.46 -176.85 54.57 Favored Glycine 0 N--CA 1.442 -0.906 0 CA-C-O 122.999 1.333 . . . . 45.24 113.035 -177.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.465 0.314 0 CA-C-N 113.636 -1.282 . . . . 57.49 110.458 176.457 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 93.4 p . . . . . 0 CA--C 1.52 -0.185 0 N-CA-C 109.468 -0.567 . . . . 69.19 109.468 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ARG . . . . . 0.728 ' NH1' ' OE2' ' A' ' 106' ' ' GLU . 25.1 ptt180 -92.75 158.31 15.97 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 122.534 1.159 . . . . 61.7 113.573 -161.6 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -135.31 117.78 15.8 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 113.783 -1.553 . . . . 63.79 106.886 -171.13 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 59.6 tp -68.47 128.49 36.8 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.026 -0.731 . . . . 32.94 109.026 179.118 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.1 mm -122.09 -20.53 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 C-N-CA 126.452 1.901 . . . . 30.3 111.488 -174.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -160.53 148.53 16.29 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.0 -1.111 . . . . 26.89 108.0 -168.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.5 m -141.57 139.75 33.22 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.665 0.786 . . . . 27.63 111.439 -176.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -121.15 148.11 44.66 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 115.42 -0.809 . . . . 27.1 110.502 170.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.5 t -91.23 159.87 15.83 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 115.217 -0.902 . . . . 29.46 109.382 161.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 45.8 p -85.55 -4.89 59.29 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 118.661 -1.216 . . . . 30.85 112.624 169.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -65.01 169.64 5.15 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 119.055 0.843 . . . . 33.14 108.786 171.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -133.62 150.37 51.59 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 119.617 -0.833 . . . . 48.35 110.902 -177.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -63.84 155.03 79.15 Favored Pre-proline 0 N--CA 1.436 -1.147 0 CA-C-N 114.532 -1.213 . . . . 36.89 108.668 169.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -51.14 132.5 38.84 Favored 'Trans proline' 0 C--N 1.328 -0.514 0 N-CA-C 108.475 -1.394 . . . . 49.92 108.475 174.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ARG . . . . . 0.535 ' NH1' ' O ' ' A' ' 303' ' ' HOH . 30.6 mmt180 -59.64 -29.46 68.04 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.528 -0.76 . . . . 81.51 111.405 -171.589 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.9 p -68.92 -28.43 39.56 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 C-N-CA 121.206 -0.198 . . . . 86.99 111.52 -175.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 61.3 p -76.4 -1.01 24.84 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 113.192 0.812 . . . . 99.16 113.192 179.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -90.91 123.11 34.17 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 108.619 -0.882 . . . . 99.75 108.619 173.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.328 -0.352 0 N-CA-C 109.675 -0.491 . . . . 96.38 109.675 178.083 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.254 0 CA-C-O 121.267 0.556 . . . . 55.01 110.934 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.0 p -135.63 169.5 17.43 Favored 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 106.58 -1.637 . . . . 52.0 106.58 172.119 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -54.03 -39.01 65.78 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 119.496 -0.882 . . . . 70.54 111.061 175.463 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.4 ptt-85 -80.73 -42.42 21.92 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 119.782 -0.767 . . . . 76.15 111.625 -176.059 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 84.1 p -69.95 -28.76 65.82 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 120.003 -0.679 . . . . 37.75 111.997 -177.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -63.69 -17.31 62.84 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 112.112 0.412 . . . . 36.57 112.112 175.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.0 mt -114.01 10.2 17.49 Favored 'General case' 0 C--O 1.248 0.994 0 C-N-CA 124.353 1.061 . . . . 33.22 112.95 -173.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -105.11 114.46 28.66 Favored 'General case' 0 C--N 1.344 0.368 0 N-CA-C 108.56 -0.904 . . . . 32.24 108.56 -173.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -111.94 30.48 6.98 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 124.377 1.071 . . . . 26.51 110.256 -174.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 51.0 m -72.44 147.7 45.88 Favored 'General case' 0 C--N 1.316 -0.856 0 O-C-N 121.586 -0.696 . . . . 25.11 110.136 -178.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 40.9 pt -122.71 159.88 25.78 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.503 0 O-C-N 124.835 1.334 . . . . 27.99 109.671 178.054 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ARG . . . . . 0.431 ' NH2' ' O ' ' A' ' 305' ' ' HOH . 33.3 ttm105 -116.46 141.11 48.61 Favored 'General case' 0 C--O 1.251 1.151 0 CA-C-N 114.966 -1.016 . . . . 36.27 108.907 177.061 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 58.2 mt -112.44 118.08 56.89 Favored 'Isoleucine or valine' 0 C--O 1.25 1.091 0 N-CA-C 106.578 -1.638 . . . . 31.5 106.578 168.481 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 34.8 m -92.76 151.2 20.17 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.994 -0.548 . . . . 40.46 110.568 -179.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 45.5 67.21 0.76 Allowed 'General case' 0 C--O 1.238 0.465 0 CA-C-O 122.247 1.022 . . . . 43.63 111.44 171.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.18 139.66 20.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 113.874 -1.512 . . . . 37.38 111.613 -169.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 69.1 p -118.01 155.35 51.3 Favored Pre-proline 0 C--O 1.242 0.692 0 C-N-CA 125.75 1.62 . . . . 42.96 108.579 178.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_exo -50.62 -34.31 42.75 Favored 'Trans proline' 0 CA--C 1.511 -0.639 0 C-N-CA 120.435 0.757 . . . . 42.86 113.635 177.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.3 mp0 -70.26 -5.92 31.08 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-O 118.905 -0.569 . . . . 50.1 112.511 -179.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -79.18 -14.88 58.81 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 113.165 0.802 . . . . 35.04 113.165 172.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.86 141.26 58.74 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 120.053 -0.659 . . . . 39.23 110.03 179.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 153.4 -174.83 31.99 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 108.627 -1.789 . . . . 31.0 108.627 -178.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 28.2 m -108.4 133.14 52.99 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-N 114.945 -0.627 . . . . 39.48 110.019 177.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -117.76 130.85 56.56 Favored 'General case' 0 C--O 1.242 0.67 0 N-CA-C 107.711 -1.218 . . . . 30.54 107.711 -171.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -116.4 133.32 56.16 Favored 'General case' 0 C--O 1.242 0.669 0 C-N-CA 124.6 1.16 . . . . 44.11 111.579 -178.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 45.8 t -98.42 125.52 43.62 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 106.449 -1.686 . . . . 29.15 106.449 175.114 178.833 -159.526 -75.305 103.451 1.985 104.253 178.814 178.319 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.0 t -129.65 132.04 66.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 O-C-N 121.403 -0.811 . . . . 34.25 109.557 -167.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 35.8 tptt -103.06 137.22 41.53 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-O 121.321 0.582 . . . . 31.81 109.893 177.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -119.93 158.37 26.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.858 -1.064 . . . . 35.63 108.544 -178.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -105.43 129.12 53.81 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 107.609 -1.256 . . . . 44.5 107.609 165.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 51.6 ttt85 -64.07 133.29 52.76 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 109.744 -0.465 . . . . 39.01 109.744 179.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -169.27 -172.54 36.07 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 119.309 -1.424 . . . . 47.44 110.629 177.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.0 p -116.95 82.01 12.92 Favored Pre-proline 0 C--O 1.241 0.628 0 N-CA-C 107.686 -1.227 . . . . 71.91 107.686 174.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -95.64 178.11 9.34 Favored 'Cis proline' 0 CA--C 1.537 0.642 0 N-CA-C 114.188 0.803 . . . . 62.82 114.188 -1.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -62.3 150.97 37.83 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 123.861 0.726 . . . . 46.38 109.999 174.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 22.9 p -128.66 139.75 52.09 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 108.691 -0.855 . . . . 45.17 108.691 173.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' GLU . . . . . 0.728 ' OE2' ' NH1' ' A' ' 50' ' ' ARG . 0.8 OUTLIER -74.37 128.77 36.38 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 109.019 -0.734 . . . . 49.06 109.019 178.811 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 30.0 pt -110.13 -25.95 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 N-CA-C 113.631 0.975 . . . . 43.42 113.631 -178.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -162.14 142.52 10.18 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 107.461 -1.311 . . . . 55.41 107.461 -177.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.5 t -124.78 143.73 50.64 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.481 -0.563 . . . . 42.88 109.481 175.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -60.21 174.7 4.6 Favored Glycine 0 N--CA 1.445 -0.72 0 CA-C-O 121.532 0.518 . . . . 35.3 112.546 165.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -87.66 0.38 84.77 Favored Glycine 0 CA--C 1.492 -1.371 0 C-N-CA 120.082 -1.056 . . . . 37.59 114.435 -173.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 88.92 139.57 7.06 Favored Glycine 0 N--CA 1.442 -0.9 0 C-N-CA 119.993 -1.098 . . . . 34.76 113.441 -176.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 96.6 m -125.96 120.13 29.55 Favored 'General case' 0 C--O 1.244 0.784 0 N-CA-C 107.001 -1.481 . . . . 33.7 107.001 170.73 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -84.87 135.73 33.95 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 119.627 -0.829 . . . . 63.68 110.32 174.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 77.5 t -101.94 121.49 52.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 N-CA-C 108.02 -1.104 . . . . 34.36 108.02 177.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -104.77 119.47 39.09 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 107.631 -1.248 . . . . 44.74 107.631 176.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 90.6 t -101.0 123.34 53.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 N-CA-C 108.193 -1.04 . . . . 43.2 108.193 -177.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.2 mp -89.26 148.66 23.46 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.286 0.565 . . . . 62.88 109.831 175.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 115.564 -0.744 . . . . 70.14 110.623 176.696 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 44.5 mtm105 -93.09 6.72 46.96 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 124.952 1.408 . . . . 33.53 113.019 -178.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -106.05 135.33 47.7 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.674 -0.862 . . . . 43.3 108.674 -179.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 64.2 p -147.4 162.49 38.89 Favored 'General case' 0 C--O 1.242 0.695 0 C-N-CA 119.533 -0.867 . . . . 33.11 109.07 175.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.96 144.94 28.83 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 121.948 0.88 . . . . 27.71 109.844 174.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 65.1 t -66.42 -44.47 90.61 Favored 'Isoleucine or valine' 0 C--O 1.242 0.709 0 C-N-CA 118.741 -1.184 . . . . 35.24 109.779 172.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -109.08 148.48 30.77 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 119.156 -1.018 . . . . 40.84 110.814 -177.07 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 52.9 p -113.86 38.3 3.02 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 123.84 0.856 . . . . 38.5 111.895 -178.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 81.2 mt -83.37 -45.14 18.76 Favored 'Isoleucine or valine' 0 C--O 1.242 0.702 0 N-CA-C 110.074 -0.343 . . . . 41.56 110.074 175.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -104.14 129.72 24.65 Favored Pre-proline 0 C--N 1.311 -1.065 0 CA-C-O 118.79 -0.624 . . . . 29.56 109.498 -178.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_exo -54.12 139.06 71.86 Favored 'Trans proline' 0 N--CA 1.471 0.201 0 CA-C-O 121.904 0.71 . . . . 26.37 110.788 174.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 57.5 p -152.05 163.17 39.87 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.371 -0.831 . . . . 25.46 109.314 -172.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' TRP . . . . . . . . . . . . . 23.8 p90 -158.5 146.3 18.16 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 115.122 -0.945 . . . . 35.64 108.967 -173.408 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 10.3 p -72.65 152.59 41.66 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 107.08 -1.452 . . . . 30.8 107.08 175.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.15 -148.37 50.82 Favored Glycine 0 C--O 1.284 3.223 0 C-N-CA 119.713 -1.232 . . . . 37.28 111.844 -168.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.016 0 CA-C-N 113.976 -1.112 . . . . 34.46 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' ACY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' ACY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . 0.7 ' O ' ' OE1' ' A' ' 14' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' HOH . . . . . 0.535 ' O ' ' NH1' ' A' ' 63' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' HOH . . . . . 0.431 ' O ' ' NH2' ' A' ' 81' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 344' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 345' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 347' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 348' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 349' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 350' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 351' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 352' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 353' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 354' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 355' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.4 t . . . . . 0 CA--C 1.533 0.297 0 CA-C-O 121.12 0.486 . . . . 77.25 111.466 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -73.55 169.07 18.0 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-O 121.736 0.779 . . . . 83.17 110.427 -176.083 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.8 p -62.27 142.03 17.04 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 CA-C-N 115.11 -0.95 . . . . 50.88 109.581 -177.503 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.4 mttp -114.41 142.42 46.37 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.58 -0.896 . . . . 65.26 108.58 174.13 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 81.0 t -107.24 120.59 58.83 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.527 0 N-CA-C 106.479 -1.674 . . . . 33.02 106.479 174.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.7 mt -113.86 110.74 33.23 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.414 0 N-CA-C 108.749 -0.834 . . . . 34.27 108.749 -169.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -110.16 102.04 49.72 Favored Pre-proline 0 C--O 1.234 0.246 0 N-CA-C 109.169 -0.678 . . . . 37.81 109.169 168.461 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -73.7 -18.03 22.59 Favored 'Trans proline' 0 C--O 1.242 0.711 0 N-CA-C 114.933 1.09 . . . . 45.92 114.933 -165.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLU . . . . . 0.7 ' OE1' ' O ' ' A' ' 301' ' ' HOH . 39.3 mt-10 -112.33 118.02 34.08 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 119.128 0.876 . . . . 62.56 110.0 -172.706 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -70.85 -23.7 62.38 Favored 'General case' 0 C--O 1.242 0.686 0 C-N-CA 120.651 -0.42 . . . . 69.63 111.873 178.061 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.2 p -156.95 151.97 26.09 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 121.51 0.672 . . . . 48.25 110.818 179.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.9 p -135.17 132.12 52.66 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 N-CA-C 107.711 -1.218 . . . . 36.16 107.711 176.579 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.2 m -105.5 133.09 50.81 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 107.351 -1.352 . . . . 43.77 107.351 178.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.6 p -142.66 138.59 28.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 N-CA-C 108.835 -0.802 . . . . 45.17 108.835 -175.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.64 139.32 39.46 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 121.181 0.515 . . . . 48.51 110.109 174.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.66 136.63 50.43 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.891 -0.781 . . . . 51.54 108.891 176.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 92.42 -23.11 29.25 Favored Glycine 0 N--CA 1.442 -0.919 0 N-CA-C 115.156 0.823 . . . . 46.1 115.156 -175.177 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -80.67 175.27 10.82 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 118.296 1.048 . . . . 50.96 108.629 176.302 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.1 m -113.8 157.0 22.85 Favored 'General case' 0 C--O 1.242 0.672 0 N-CA-C 108.912 -0.773 . . . . 47.27 108.912 174.51 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.0 t -143.23 164.21 30.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.68 0.753 . . . . 40.1 109.665 179.492 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.1 t -122.39 130.26 74.66 Favored 'Isoleucine or valine' 0 C--O 1.243 0.722 0 N-CA-C 107.154 -1.424 . . . . 32.33 107.154 -178.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 64.6 mt -100.18 115.02 28.88 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 106.585 -1.635 . . . . 38.06 106.585 172.874 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -89.88 135.5 33.6 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.117 0.484 . . . . 40.76 111.182 -172.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 42.9 t -150.23 131.82 14.86 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-N 114.945 -1.025 . . . . 28.78 108.557 171.258 178.319 178.814 -75.305 104.253 1.985 103.451 -159.526 178.833 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 61.7 p -130.99 153.92 48.72 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 108.403 -0.962 . . . . 34.13 108.403 172.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 mp -115.38 158.07 22.99 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 109.165 -0.68 . . . . 33.61 109.165 174.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.5 p -83.46 -8.86 59.29 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 118.454 -1.298 . . . . 39.65 113.041 175.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.3 t -163.64 158.53 20.62 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 107.625 -1.25 . . . . 37.53 107.625 -175.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.3 mt -93.59 -4.81 50.18 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 120.185 -0.606 . . . . 37.91 112.11 170.437 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 85.2 mt -99.76 153.44 37.77 Favored Pre-proline 0 C--N 1.313 -0.99 0 N-CA-C 109.718 -0.475 . . . . 44.47 109.718 -179.091 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -73.11 159.79 96.73 Favored 'Cis proline' 0 C--N 1.349 0.554 0 N-CA-C 108.955 -1.21 . . . . 43.21 108.955 -3.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.7 t -54.73 139.25 13.85 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 O-C-N 123.669 0.605 . . . . 37.11 110.227 -178.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.31 151.02 5.99 Favored Glycine 0 N--CA 1.44 -1.1 0 N-CA-C 110.994 -0.842 . . . . 31.02 110.994 -179.489 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -73.32 161.1 43.56 Favored 'Trans proline' 0 C--O 1.247 0.968 0 CA-C-O 123.169 1.237 . . . . 29.61 113.975 -173.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ILE . . . . . 0.404 HD12 ' N ' ' A' ' 40' ' ' ILE . 3.2 mp -111.64 126.72 69.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 N-CA-C 105.595 -2.002 . . . . 24.62 105.595 171.15 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 52.5 mtt-85 -128.38 147.06 50.62 Favored 'General case' 0 C--N 1.316 -0.863 0 O-C-N 123.59 0.556 . . . . 30.88 110.337 -177.219 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 64.9 m95 -106.77 134.97 49.11 Favored 'General case' 0 C--O 1.249 1.07 0 N-CA-C 109.23 -0.656 . . . . 29.02 109.23 175.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -122.83 146.48 47.51 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 126.138 1.775 . . . . 38.39 110.384 178.244 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ARG . . . . . 0.493 ' HG2' ' CE2' ' A' ' 93' ' ' TYR . 19.6 mtp-105 -95.97 130.21 43.02 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 107.948 -1.13 . . . . 67.34 107.948 161.015 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.46 -176.85 54.57 Favored Glycine 0 N--CA 1.442 -0.906 0 CA-C-O 122.999 1.333 . . . . 45.24 113.035 -177.073 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.465 0.314 0 CA-C-N 113.636 -1.282 . . . . 57.49 110.458 176.457 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 93.4 p . . . . . 0 CA--C 1.52 -0.185 0 N-CA-C 109.468 -0.567 . . . . 69.19 109.468 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ARG . . . . . 0.728 ' NH1' ' OE2' ' A' ' 106' ' ' GLU . 25.1 ptt180 -92.75 158.31 15.97 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 122.534 1.159 . . . . 61.7 113.573 -161.6 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -135.31 117.78 15.8 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 113.783 -1.553 . . . . 63.79 106.886 -171.13 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 59.6 tp -68.47 128.49 36.8 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.026 -0.731 . . . . 32.94 109.026 179.118 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ILE . . . . . 0.451 HG13 ' HG3' ' A' ' 44' ' ' ARG . 4.1 mm -122.09 -20.53 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 C-N-CA 126.452 1.901 . . . . 30.3 111.488 -174.964 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -160.53 148.53 16.29 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.0 -1.111 . . . . 26.89 108.0 -168.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.5 m -141.57 139.75 33.22 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.665 0.786 . . . . 27.63 111.439 -176.678 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -121.15 148.11 44.66 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 115.42 -0.809 . . . . 27.1 110.502 170.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.5 t -91.23 159.87 15.83 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 115.217 -0.902 . . . . 29.46 109.382 161.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 45.8 p -85.55 -4.89 59.29 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 118.661 -1.216 . . . . 30.85 112.624 169.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -65.01 169.64 5.15 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 119.055 0.843 . . . . 33.14 108.786 171.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' HIS . . . . . 0.405 ' HD2' ' O ' ' A' ' 307' ' ' HOH . 26.0 p80 -133.62 150.37 51.59 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 119.617 -0.833 . . . . 48.35 110.902 -177.992 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -63.84 155.03 79.15 Favored Pre-proline 0 N--CA 1.436 -1.147 0 CA-C-N 114.532 -1.213 . . . . 36.89 108.668 169.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -51.14 132.5 38.84 Favored 'Trans proline' 0 C--N 1.328 -0.514 0 N-CA-C 108.475 -1.394 . . . . 49.92 108.475 174.536 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -59.64 -29.46 68.04 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.528 -0.76 . . . . 81.51 111.405 -171.589 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.9 p -68.92 -28.43 39.56 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 C-N-CA 121.206 -0.198 . . . . 86.99 111.52 -175.168 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 61.3 p -76.4 -1.01 24.84 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 113.192 0.812 . . . . 99.16 113.192 179.198 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -90.91 123.11 34.17 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 108.619 -0.882 . . . . 99.75 108.619 173.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.328 -0.352 0 N-CA-C 109.675 -0.491 . . . . 96.38 109.675 178.083 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.254 0 CA-C-O 121.267 0.556 . . . . 55.01 110.934 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.0 p -135.63 169.5 17.43 Favored 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 106.58 -1.637 . . . . 52.0 106.58 172.119 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -54.03 -39.01 65.78 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 119.496 -0.882 . . . . 70.54 111.061 175.463 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.4 ptt-85 -80.73 -42.42 21.92 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 119.782 -0.767 . . . . 76.15 111.625 -176.059 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 84.1 p -69.95 -28.76 65.82 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 120.003 -0.679 . . . . 37.75 111.997 -177.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -63.69 -17.31 62.84 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 112.112 0.412 . . . . 36.57 112.112 175.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.0 mt -114.01 10.2 17.49 Favored 'General case' 0 C--O 1.248 0.994 0 C-N-CA 124.353 1.061 . . . . 33.22 112.95 -173.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -105.11 114.46 28.66 Favored 'General case' 0 C--N 1.344 0.368 0 N-CA-C 108.56 -0.904 . . . . 32.24 108.56 -173.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -111.94 30.48 6.98 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 124.377 1.071 . . . . 26.51 110.256 -174.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 51.0 m -72.44 147.7 45.88 Favored 'General case' 0 C--N 1.316 -0.856 0 O-C-N 121.586 -0.696 . . . . 25.11 110.136 -178.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 40.9 pt -122.71 159.88 25.78 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.503 0 O-C-N 124.835 1.334 . . . . 27.99 109.671 178.054 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 33.3 ttm105 -116.46 141.11 48.61 Favored 'General case' 0 C--O 1.251 1.151 0 CA-C-N 114.966 -1.016 . . . . 37.02 108.907 177.061 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 58.2 mt -112.44 118.08 56.89 Favored 'Isoleucine or valine' 0 C--O 1.25 1.091 0 N-CA-C 106.578 -1.638 . . . . 31.5 106.578 168.481 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 34.8 m -92.76 151.2 20.17 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.994 -0.548 . . . . 40.46 110.568 -179.542 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 45.5 67.21 0.76 Allowed 'General case' 0 C--O 1.238 0.465 0 CA-C-O 122.247 1.022 . . . . 43.63 111.44 171.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.18 139.66 20.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 113.874 -1.512 . . . . 37.38 111.613 -169.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 69.1 p -118.01 155.35 51.3 Favored Pre-proline 0 C--O 1.242 0.692 0 C-N-CA 125.75 1.62 . . . . 42.96 108.579 178.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_exo -50.62 -34.31 42.75 Favored 'Trans proline' 0 CA--C 1.511 -0.639 0 C-N-CA 120.435 0.757 . . . . 42.86 113.635 177.485 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.3 mp0 -70.26 -5.92 31.08 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-O 118.905 -0.569 . . . . 50.1 112.511 -179.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -79.18 -14.88 58.81 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 113.165 0.802 . . . . 35.04 113.165 172.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.86 141.26 58.74 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 120.053 -0.659 . . . . 39.23 110.03 179.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 153.4 -174.83 31.99 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 108.627 -1.789 . . . . 31.0 108.627 -178.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 28.2 m -108.4 133.14 52.99 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-N 114.945 -0.627 . . . . 39.48 110.019 177.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' TYR . . . . . 0.493 ' CE2' ' HG2' ' A' ' 44' ' ' ARG . 39.8 m-85 -117.76 130.85 56.56 Favored 'General case' 0 C--O 1.242 0.67 0 N-CA-C 107.711 -1.218 . . . . 30.54 107.711 -171.944 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -116.4 133.32 56.16 Favored 'General case' 0 C--O 1.242 0.669 0 C-N-CA 124.6 1.16 . . . . 44.11 111.579 -178.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 45.8 t -98.42 125.52 43.62 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 106.449 -1.686 . . . . 29.15 106.449 175.114 178.833 -159.526 -75.305 103.451 1.985 104.253 178.814 178.319 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.0 t -129.65 132.04 66.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 O-C-N 121.403 -0.811 . . . . 34.25 109.557 -167.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' LYS . . . . . 0.457 ' HE3' ' O ' ' A' ' 98' ' ' PHE . 35.8 tptt -103.06 137.22 41.53 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-O 121.321 0.582 . . . . 31.81 109.893 177.959 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 98' ' ' PHE . . . . . 0.457 ' O ' ' HE3' ' A' ' 97' ' ' LYS . 64.5 m-85 -119.93 158.37 26.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.858 -1.064 . . . . 35.63 108.544 -178.195 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -105.43 129.12 53.81 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 107.609 -1.256 . . . . 47.56 107.609 165.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 51.6 ttt85 -64.07 133.29 52.76 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 109.744 -0.465 . . . . 39.01 109.744 179.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -169.27 -172.54 36.07 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 119.309 -1.424 . . . . 47.44 110.629 177.421 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.0 p -116.95 82.01 12.92 Favored Pre-proline 0 C--O 1.241 0.628 0 N-CA-C 107.686 -1.227 . . . . 71.91 107.686 174.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -95.64 178.11 9.34 Favored 'Cis proline' 0 CA--C 1.537 0.642 0 N-CA-C 114.188 0.803 . . . . 62.82 114.188 -1.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -62.3 150.97 37.83 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 123.861 0.726 . . . . 46.38 109.999 174.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 22.9 p -128.66 139.75 52.09 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 108.691 -0.855 . . . . 45.17 108.691 173.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' GLU . . . . . 0.728 ' OE2' ' NH1' ' A' ' 50' ' ' ARG . 0.8 OUTLIER -74.37 128.77 36.38 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 109.019 -0.734 . . . . 49.06 109.019 178.811 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 30.0 pt -110.13 -25.95 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 N-CA-C 113.631 0.975 . . . . 43.42 113.631 -178.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -162.14 142.52 10.18 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 107.461 -1.311 . . . . 55.41 107.461 -177.363 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.5 t -124.78 143.73 50.64 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.481 -0.563 . . . . 42.88 109.481 175.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -60.21 174.7 4.6 Favored Glycine 0 N--CA 1.445 -0.72 0 CA-C-O 121.532 0.518 . . . . 35.3 112.546 165.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -87.66 0.38 84.77 Favored Glycine 0 CA--C 1.492 -1.371 0 C-N-CA 120.082 -1.056 . . . . 37.59 114.435 -173.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 88.92 139.57 7.06 Favored Glycine 0 N--CA 1.442 -0.9 0 C-N-CA 119.993 -1.098 . . . . 34.76 113.441 -176.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 96.6 m -125.96 120.13 29.55 Favored 'General case' 0 C--O 1.244 0.784 0 N-CA-C 107.001 -1.481 . . . . 33.7 107.001 170.73 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -84.87 135.73 33.95 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 119.627 -0.829 . . . . 63.68 110.32 174.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 77.5 t -101.94 121.49 52.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 N-CA-C 108.02 -1.104 . . . . 34.36 108.02 177.382 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -104.77 119.47 39.09 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 107.631 -1.248 . . . . 49.45 107.631 176.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 90.6 t -101.0 123.34 53.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 N-CA-C 108.193 -1.04 . . . . 43.2 108.193 -177.305 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.2 mp -89.26 148.66 23.46 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.286 0.565 . . . . 62.88 109.831 175.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 115.564 -0.744 . . . . 70.14 110.623 176.696 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 44.5 mtm105 -93.09 6.72 46.96 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 124.952 1.408 . . . . 33.53 113.019 -178.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -106.05 135.33 47.7 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.674 -0.862 . . . . 43.3 108.674 -179.14 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 64.2 p -147.4 162.49 38.89 Favored 'General case' 0 C--O 1.242 0.695 0 C-N-CA 119.533 -0.867 . . . . 33.11 109.07 175.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.96 144.94 28.83 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 121.948 0.88 . . . . 27.71 109.844 174.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 65.1 t -66.42 -44.47 90.61 Favored 'Isoleucine or valine' 0 C--O 1.242 0.709 0 C-N-CA 118.741 -1.184 . . . . 35.24 109.779 172.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -109.08 148.48 30.77 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 119.156 -1.018 . . . . 40.84 110.814 -177.07 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 52.9 p -113.86 38.3 3.02 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 123.84 0.856 . . . . 38.5 111.895 -178.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 81.2 mt -83.37 -45.14 18.76 Favored 'Isoleucine or valine' 0 C--O 1.242 0.702 0 N-CA-C 110.074 -0.343 . . . . 41.56 110.074 175.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -104.14 129.72 24.65 Favored Pre-proline 0 C--N 1.311 -1.065 0 CA-C-O 118.79 -0.624 . . . . 29.56 109.498 -178.292 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_exo -54.12 139.06 71.86 Favored 'Trans proline' 0 N--CA 1.471 0.201 0 CA-C-O 121.904 0.71 . . . . 26.37 110.788 174.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 57.5 p -152.05 163.17 39.87 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.371 -0.831 . . . . 25.46 109.314 -172.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' TRP . . . . . . . . . . . . . 23.8 p90 -158.5 146.3 18.16 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 115.122 -0.945 . . . . 35.64 108.967 -173.408 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 10.3 p -72.65 152.59 41.66 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 107.08 -1.452 . . . . 30.8 107.08 175.168 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.15 -148.37 50.82 Favored Glycine 0 C--O 1.284 3.223 0 C-N-CA 119.713 -1.232 . . . . 37.28 111.844 -168.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.016 0 CA-C-N 113.976 -1.112 . . . . 34.46 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' ACY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' ACY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . 0.7 ' O ' ' OE1' ' A' ' 14' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 307' ' ' HOH . . . . . 0.405 ' O ' ' HD2' ' A' ' 60' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 344' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 345' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 347' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 348' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 349' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 350' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 351' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 352' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 353' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 354' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 355' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.4 t . . . . . 0 CA--C 1.533 0.297 0 CA-C-O 121.12 0.486 . . . . 77.25 111.466 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -73.55 169.07 18.0 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-O 121.736 0.779 . . . . 83.17 110.427 -176.083 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.8 p -62.27 142.03 17.04 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 CA-C-N 115.11 -0.95 . . . . 50.88 109.581 -177.503 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.4 mttp -114.41 142.42 46.37 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.58 -0.896 . . . . 65.26 108.58 174.13 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 81.0 t -107.24 120.59 58.83 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.527 0 N-CA-C 106.479 -1.674 . . . . 33.02 106.479 174.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.7 mt -113.86 110.74 33.23 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.414 0 N-CA-C 108.749 -0.834 . . . . 34.27 108.749 -169.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -110.16 102.04 49.72 Favored Pre-proline 0 C--O 1.234 0.246 0 N-CA-C 109.169 -0.678 . . . . 37.81 109.169 168.461 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -73.7 -18.03 22.59 Favored 'Trans proline' 0 C--O 1.242 0.711 0 N-CA-C 114.933 1.09 . . . . 45.92 114.933 -165.47 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.7 ' OE1' ' O ' ' A' ' 301' ' ' HOH . 39.3 mt-10 -112.33 118.02 34.08 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 119.128 0.876 . . . . 62.56 110.0 -172.706 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -70.85 -23.7 62.38 Favored 'General case' 0 C--O 1.242 0.686 0 C-N-CA 120.651 -0.42 . . . . 69.63 111.873 178.061 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.2 p -156.95 151.97 26.09 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 121.51 0.672 . . . . 48.25 110.818 179.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.9 p -135.17 132.12 52.66 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 N-CA-C 107.711 -1.218 . . . . 36.16 107.711 176.579 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.2 m -105.5 133.09 50.81 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 107.351 -1.352 . . . . 43.77 107.351 178.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.6 p -142.66 138.59 28.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 N-CA-C 108.835 -0.802 . . . . 45.17 108.835 -175.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.64 139.32 39.46 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 121.181 0.515 . . . . 48.51 110.109 174.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.66 136.63 50.43 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.891 -0.781 . . . . 51.54 108.891 176.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 92.42 -23.11 29.25 Favored Glycine 0 N--CA 1.442 -0.919 0 N-CA-C 115.156 0.823 . . . . 46.1 115.156 -175.177 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -80.67 175.27 10.82 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 118.296 1.048 . . . . 50.96 108.629 176.302 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.1 m -113.8 157.0 22.85 Favored 'General case' 0 C--O 1.242 0.672 0 N-CA-C 108.912 -0.773 . . . . 47.27 108.912 174.51 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.0 t -143.23 164.21 30.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.68 0.753 . . . . 40.1 109.665 179.492 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.1 t -122.39 130.26 74.66 Favored 'Isoleucine or valine' 0 C--O 1.243 0.722 0 N-CA-C 107.154 -1.424 . . . . 32.33 107.154 -178.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 64.6 mt -100.18 115.02 28.88 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 106.585 -1.635 . . . . 38.06 106.585 172.874 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -89.88 135.5 33.6 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.117 0.484 . . . . 40.76 111.182 -172.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 42.9 t -150.23 131.82 14.86 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-N 114.945 -1.025 . . . . 28.78 108.557 171.258 178.319 178.814 -75.305 104.253 1.985 103.451 -159.526 178.833 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 61.7 p -130.99 153.92 48.72 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 108.403 -0.962 . . . . 34.13 108.403 172.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 mp -115.38 158.07 22.99 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 109.165 -0.68 . . . . 33.61 109.165 174.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.5 p -83.46 -8.86 59.29 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 118.454 -1.298 . . . . 39.65 113.041 175.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.3 t -163.64 158.53 20.62 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 107.625 -1.25 . . . . 37.53 107.625 -175.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.3 mt -93.59 -4.81 50.18 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 120.185 -0.606 . . . . 37.91 112.11 170.437 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 85.2 mt -99.76 153.44 37.77 Favored Pre-proline 0 C--N 1.313 -0.99 0 N-CA-C 109.718 -0.475 . . . . 44.47 109.718 -179.091 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -73.11 159.79 96.73 Favored 'Cis proline' 0 C--N 1.349 0.554 0 N-CA-C 108.955 -1.21 . . . . 43.21 108.955 -3.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.7 t -54.73 139.25 13.85 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 O-C-N 123.669 0.605 . . . . 37.11 110.227 -178.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.31 151.02 5.99 Favored Glycine 0 N--CA 1.44 -1.1 0 N-CA-C 110.994 -0.842 . . . . 31.02 110.994 -179.489 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -73.32 161.1 43.56 Favored 'Trans proline' 0 C--O 1.247 0.968 0 CA-C-O 123.169 1.237 . . . . 29.61 113.975 -173.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.404 HD12 ' N ' ' A' ' 40' ' ' ILE . 3.2 mp -111.64 126.72 69.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 N-CA-C 105.595 -2.002 . . . . 24.62 105.595 171.15 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 52.5 mtt-85 -128.38 147.06 50.62 Favored 'General case' 0 C--N 1.316 -0.863 0 O-C-N 123.59 0.556 . . . . 30.88 110.337 -177.219 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 64.9 m95 -106.77 134.97 49.11 Favored 'General case' 0 C--O 1.249 1.07 0 N-CA-C 109.23 -0.656 . . . . 29.02 109.23 175.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -122.83 146.48 47.51 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 126.138 1.775 . . . . 38.39 110.384 178.244 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.493 ' HG2' ' CE2' ' A' ' 93' ' ' TYR . 19.6 mtp-105 -95.97 130.21 43.02 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 107.948 -1.13 . . . . 67.34 107.948 161.015 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.46 -176.85 54.57 Favored Glycine 0 N--CA 1.442 -0.906 0 CA-C-O 122.999 1.333 . . . . 45.24 113.035 -177.073 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.465 0.314 0 CA-C-N 113.636 -1.282 . . . . 57.49 110.458 176.457 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 93.4 p . . . . . 0 CA--C 1.52 -0.185 0 N-CA-C 109.468 -0.567 . . . . 69.19 109.468 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.728 ' NH1' ' OE2' ' A' ' 106' ' ' GLU . 25.1 ptt180 -92.75 158.31 15.97 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 122.534 1.159 . . . . 61.7 113.573 -161.6 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -135.31 117.78 15.8 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 113.783 -1.553 . . . . 63.79 106.886 -171.13 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 59.6 tp -68.47 128.49 36.8 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.026 -0.731 . . . . 32.94 109.026 179.118 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.451 HG13 ' HG3' ' A' ' 44' ' ' ARG . 4.1 mm -122.09 -20.53 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 C-N-CA 126.452 1.901 . . . . 30.3 111.488 -174.964 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -160.53 148.53 16.29 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.0 -1.111 . . . . 26.89 108.0 -168.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.5 m -141.57 139.75 33.22 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.665 0.786 . . . . 27.63 111.439 -176.678 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -121.15 148.11 44.66 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 115.42 -0.809 . . . . 27.1 110.502 170.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.5 t -91.23 159.87 15.83 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 115.217 -0.902 . . . . 29.46 109.382 161.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 45.8 p -85.55 -4.89 59.29 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 118.661 -1.216 . . . . 30.85 112.624 169.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -65.01 169.64 5.15 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 119.055 0.843 . . . . 33.14 108.786 171.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.405 ' HD2' ' O ' ' A' ' 307' ' ' HOH . 26.0 p80 -133.62 150.37 51.59 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 119.617 -0.833 . . . . 48.35 110.902 -177.992 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -63.84 155.03 79.15 Favored Pre-proline 0 N--CA 1.436 -1.147 0 CA-C-N 114.532 -1.213 . . . . 36.89 108.668 169.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -51.14 132.5 38.84 Favored 'Trans proline' 0 C--N 1.328 -0.514 0 N-CA-C 108.475 -1.394 . . . . 49.92 108.475 174.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -59.64 -29.46 68.04 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.528 -0.76 . . . . 81.51 111.405 -171.589 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.9 p -68.92 -28.43 39.56 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 C-N-CA 121.206 -0.198 . . . . 86.99 111.52 -175.168 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 61.3 p -76.4 -1.01 24.84 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 113.192 0.812 . . . . 99.16 113.192 179.198 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -90.91 123.11 34.17 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 108.619 -0.882 . . . . 99.75 108.619 173.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.328 -0.352 0 N-CA-C 109.675 -0.491 . . . . 96.38 109.675 178.083 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.254 0 CA-C-O 121.267 0.556 . . . . 55.01 110.934 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.0 p -135.63 169.5 17.43 Favored 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 106.58 -1.637 . . . . 52.0 106.58 172.119 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -54.03 -39.01 65.78 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 119.496 -0.882 . . . . 70.54 111.061 175.463 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.4 ptt-85 -80.73 -42.42 21.92 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 119.782 -0.767 . . . . 76.15 111.625 -176.059 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 84.1 p -69.95 -28.76 65.82 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 120.003 -0.679 . . . . 37.75 111.997 -177.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -63.69 -17.31 62.84 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 112.112 0.412 . . . . 36.57 112.112 175.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.0 mt -114.01 10.2 17.49 Favored 'General case' 0 C--O 1.248 0.994 0 C-N-CA 124.353 1.061 . . . . 33.22 112.95 -173.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -105.11 114.46 28.66 Favored 'General case' 0 C--N 1.344 0.368 0 N-CA-C 108.56 -0.904 . . . . 32.24 108.56 -173.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -111.94 30.48 6.98 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 124.377 1.071 . . . . 26.51 110.256 -174.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 51.0 m -72.44 147.7 45.88 Favored 'General case' 0 C--N 1.316 -0.856 0 O-C-N 121.586 -0.696 . . . . 25.11 110.136 -178.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 40.9 pt -122.71 159.88 25.78 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.503 0 O-C-N 124.835 1.334 . . . . 27.99 109.671 178.054 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 33.3 ttm105 -116.46 141.11 48.61 Favored 'General case' 0 C--O 1.251 1.151 0 CA-C-N 114.966 -1.016 . . . . 37.02 108.907 177.061 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 58.2 mt -112.44 118.08 56.89 Favored 'Isoleucine or valine' 0 C--O 1.25 1.091 0 N-CA-C 106.578 -1.638 . . . . 31.5 106.578 168.481 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 34.8 m -92.76 151.2 20.17 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.994 -0.548 . . . . 40.46 110.568 -179.542 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 45.5 67.21 0.76 Allowed 'General case' 0 C--O 1.238 0.465 0 CA-C-O 122.247 1.022 . . . . 43.63 111.44 171.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.18 139.66 20.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 113.874 -1.512 . . . . 37.38 111.613 -169.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 69.1 p -118.01 155.35 51.3 Favored Pre-proline 0 C--O 1.242 0.692 0 C-N-CA 125.75 1.62 . . . . 42.96 108.579 178.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_exo -50.62 -34.31 42.75 Favored 'Trans proline' 0 CA--C 1.511 -0.639 0 C-N-CA 120.435 0.757 . . . . 42.86 113.635 177.485 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.3 mp0 -70.26 -5.92 31.08 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-O 118.905 -0.569 . . . . 50.1 112.511 -179.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -79.18 -14.88 58.81 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 113.165 0.802 . . . . 35.04 113.165 172.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.86 141.26 58.74 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 120.053 -0.659 . . . . 39.23 110.03 179.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 153.4 -174.83 31.99 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 108.627 -1.789 . . . . 31.0 108.627 -178.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 28.2 m -108.4 133.14 52.99 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-N 114.945 -0.627 . . . . 39.48 110.019 177.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.493 ' CE2' ' HG2' ' A' ' 44' ' ' ARG . 39.8 m-85 -117.76 130.85 56.56 Favored 'General case' 0 C--O 1.242 0.67 0 N-CA-C 107.711 -1.218 . . . . 30.54 107.711 -171.944 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -116.4 133.32 56.16 Favored 'General case' 0 C--O 1.242 0.669 0 C-N-CA 124.6 1.16 . . . . 44.11 111.579 -178.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 45.8 t -98.42 125.52 43.62 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 106.449 -1.686 . . . . 29.15 106.449 175.114 178.833 -159.526 -75.305 103.451 1.985 104.253 178.814 178.319 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.0 t -129.65 132.04 66.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 O-C-N 121.403 -0.811 . . . . 34.25 109.557 -167.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.457 ' HE3' ' O ' ' A' ' 98' ' ' PHE . 35.8 tptt -103.06 137.22 41.53 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-O 121.321 0.582 . . . . 31.81 109.893 177.959 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.457 ' O ' ' HE3' ' A' ' 97' ' ' LYS . 64.5 m-85 -119.93 158.37 26.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.858 -1.064 . . . . 35.63 108.544 -178.195 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -105.43 129.12 53.81 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 107.609 -1.256 . . . . 47.56 107.609 165.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 51.6 ttt85 -64.07 133.29 52.76 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 109.744 -0.465 . . . . 39.01 109.744 179.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -169.27 -172.54 36.07 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 119.309 -1.424 . . . . 47.44 110.629 177.421 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.0 p -116.95 82.01 12.92 Favored Pre-proline 0 C--O 1.241 0.628 0 N-CA-C 107.686 -1.227 . . . . 71.91 107.686 174.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -95.64 178.11 9.34 Favored 'Cis proline' 0 CA--C 1.537 0.642 0 N-CA-C 114.188 0.803 . . . . 62.82 114.188 -1.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -62.3 150.97 37.83 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 123.861 0.726 . . . . 46.38 109.999 174.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 22.9 p -128.66 139.75 52.09 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 108.691 -0.855 . . . . 45.17 108.691 173.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.728 ' OE2' ' NH1' ' A' ' 50' ' ' ARG . 0.8 OUTLIER -74.37 128.77 36.38 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 109.019 -0.734 . . . . 49.06 109.019 178.811 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 30.0 pt -110.13 -25.95 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 N-CA-C 113.631 0.975 . . . . 43.42 113.631 -178.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -162.14 142.52 10.18 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 107.461 -1.311 . . . . 55.41 107.461 -177.363 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.5 t -124.78 143.73 50.64 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.481 -0.563 . . . . 42.88 109.481 175.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -60.21 174.7 4.6 Favored Glycine 0 N--CA 1.445 -0.72 0 CA-C-O 121.532 0.518 . . . . 35.3 112.546 165.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -87.66 0.38 84.77 Favored Glycine 0 CA--C 1.492 -1.371 0 C-N-CA 120.082 -1.056 . . . . 37.59 114.435 -173.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 88.92 139.57 7.06 Favored Glycine 0 N--CA 1.442 -0.9 0 C-N-CA 119.993 -1.098 . . . . 34.76 113.441 -176.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 96.6 m -125.96 120.13 29.55 Favored 'General case' 0 C--O 1.244 0.784 0 N-CA-C 107.001 -1.481 . . . . 33.7 107.001 170.73 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -84.87 135.73 33.95 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 119.627 -0.829 . . . . 63.68 110.32 174.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 77.5 t -101.94 121.49 52.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 N-CA-C 108.02 -1.104 . . . . 34.36 108.02 177.382 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -104.77 119.47 39.09 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 107.631 -1.248 . . . . 49.45 107.631 176.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 90.6 t -101.0 123.34 53.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 N-CA-C 108.193 -1.04 . . . . 43.2 108.193 -177.305 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.2 mp -89.26 148.66 23.46 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.286 0.565 . . . . 62.88 109.831 175.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 115.564 -0.744 . . . . 70.14 110.623 176.696 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 44.5 mtm105 -93.09 6.72 46.96 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 124.952 1.408 . . . . 33.53 113.019 -178.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -106.05 135.33 47.7 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.674 -0.862 . . . . 43.3 108.674 -179.14 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 64.2 p -147.4 162.49 38.89 Favored 'General case' 0 C--O 1.242 0.695 0 C-N-CA 119.533 -0.867 . . . . 33.11 109.07 175.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.96 144.94 28.83 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 121.948 0.88 . . . . 27.71 109.844 174.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 65.1 t -66.42 -44.47 90.61 Favored 'Isoleucine or valine' 0 C--O 1.242 0.709 0 C-N-CA 118.741 -1.184 . . . . 35.24 109.779 172.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -109.08 148.48 30.77 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 119.156 -1.018 . . . . 40.84 110.814 -177.07 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 52.9 p -113.86 38.3 3.02 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 123.84 0.856 . . . . 38.5 111.895 -178.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 81.2 mt -83.37 -45.14 18.76 Favored 'Isoleucine or valine' 0 C--O 1.242 0.702 0 N-CA-C 110.074 -0.343 . . . . 41.56 110.074 175.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -104.14 129.72 24.65 Favored Pre-proline 0 C--N 1.311 -1.065 0 CA-C-O 118.79 -0.624 . . . . 29.56 109.498 -178.292 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_exo -54.12 139.06 71.86 Favored 'Trans proline' 0 N--CA 1.471 0.201 0 CA-C-O 121.904 0.71 . . . . 26.37 110.788 174.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 57.5 p -152.05 163.17 39.87 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.371 -0.831 . . . . 25.46 109.314 -172.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' TRP . . . . . . . . . . . . . 23.8 p90 -158.5 146.3 18.16 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 115.122 -0.945 . . . . 35.64 108.967 -173.408 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 10.3 p -72.65 152.59 41.66 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 107.08 -1.452 . . . . 30.8 107.08 175.168 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.15 -148.37 50.82 Favored Glycine 0 C--O 1.284 3.223 0 C-N-CA 119.713 -1.232 . . . . 37.28 111.844 -168.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.016 0 CA-C-N 113.976 -1.112 . . . . 34.46 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' ACY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' ACY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.7 ' O ' ' OE1' ' A' ' 14' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 307' ' ' HOH . . . . . 0.405 ' O ' ' HD2' ' A' ' 60' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 344' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 345' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 347' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 348' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 349' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 350' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 351' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 352' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 353' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 354' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 355' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_