data_1crc_residue 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 1crc _Structure_validation_residue.Date_analyzed 2016-10-12 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 ' 0' ' ' ACE . . . . . 0.415 ' CH3' ' O ' ' A' ' 135' ' ' HOH . . . . . . . . 0 C--O 1.245 0.866 . . . . . . . . 18.66 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 74.54 50.38 9.72 Favored Glycine 0 C--N 1.367 2.289 1 CA-C-O 112.946 -4.252 . . . . 19.3 107.134 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -90.41 103.33 16.03 Favored 'General case' 0 CA--C 1.552 1.047 0 O-C-N 129.481 3.695 . . . . 22.47 101.249 179.064 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.2 t -65.21 -25.86 38.34 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 1 C-N-CA 132.062 4.145 . . . . 27.95 108.901 -179.335 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLU . . . . . 0.567 ' O ' ' CE ' ' A' ' 8' ' ' LYS . 30.5 tt0 -83.4 -18.35 39.06 Favored 'General case' 0 C--O 1.26 1.629 0 C-N-CA 130.617 3.567 . . . . 36.8 112.35 -179.277 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -103.55 -28.25 11.86 Favored 'General case' 0 C--O 1.256 1.429 0 CA-C-O 126.079 2.847 . . . . 30.32 106.704 176.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.09 -58.97 11.34 Favored Glycine 0 CA--C 1.548 2.13 1 N-CA-C 101.952 -4.459 . . . . 27.39 101.952 177.587 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 67.5 tttt -45.94 -36.88 5.83 Favored 'General case' 0 C--O 1.246 0.889 0 O-C-N 127.498 2.528 . . . . 30.23 112.642 179.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . 0.567 ' CE ' ' O ' ' A' ' 4' ' ' GLU . 18.9 mmtt -69.26 -33.97 74.06 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 123.86 1.79 . . . . 30.07 114.754 -179.222 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.7 mt -71.3 -39.25 72.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 112.26 -2.245 . . . . 23.92 108.097 -179.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -60.83 -54.12 49.01 Favored 'General case' 0 C--N 1.288 -2.066 0 CA-C-N 112.072 -2.331 . . . . 21.55 108.489 179.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' VAL . . . . . 0.513 ' CG2' ' N ' ' A' ' 12' ' ' GLN . 0.7 OUTLIER -68.48 -43.41 83.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-O 114.164 -2.827 . . . . 20.22 110.627 -175.962 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLN . . . . . 0.513 ' N ' ' CG2' ' A' ' 11' ' ' VAL . 95.6 mm-40 -68.77 -29.08 67.38 Favored 'General case' 0 C--N 1.319 -0.718 1 O-C-N 134.357 7.286 . . . . 29.05 113.352 -179.567 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -125.2 -7.2 7.08 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 121.379 3.844 . . . . 19.3 121.379 -175.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.5 m -127.98 -31.94 2.34 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 116.26 1.948 . . . . 15.78 116.26 179.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . 0.387 . . -50.49 -33.11 20.14 Favored 'General case' 0 N--CA 1.51 2.562 0 O-C-N 128.04 3.338 . . . . 16.41 110.774 -175.995 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.83 -50.57 25.73 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 116.959 -3.588 . . . . 21.09 113.488 178.338 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.4 m -104.11 -1.07 27.85 Favored 'General case' 0 CA--C 1.483 -1.6 0 CA-C-O 113.417 -3.183 . . . . 12.7 113.533 -178.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' HIS . . . . . 0.665 ' ND1' ' O ' ' A' ' 30' ' ' PRO 0.326 91.0 m-70 -139.23 145.89 39.79 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 121.701 3.963 . . . . 9.45 121.701 -178.269 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' THR . . . . . 0.467 ' OG1' ' ND2' ' A' ' 31' ' ' ASN . 15.5 p -121.27 133.14 55.13 Favored 'General case' 0 N--CA 1.423 -1.786 1 O-C-N 131.582 5.551 . . . . 13.99 108.387 177.253 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' VAL . . . . . 0.408 ' CG2' ' O ' ' A' ' 167' ' ' HOH . 3.9 m -109.81 -6.88 11.27 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.354 0 CA-C-N 109.202 -3.635 . . . . 15.92 113.091 -179.254 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . 0.254 56.9 mp0 -85.07 158.95 20.29 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 123.108 2.686 . . . . 16.81 111.954 -178.727 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.5 tttm -70.74 130.73 42.48 Favored 'General case' 0 C--O 1.269 2.124 1 O-C-N 130.371 4.794 . . . . 20.07 107.46 178.645 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.32 -7.24 64.87 Favored Glycine 0 N--CA 1.483 1.798 0 O-C-N 126.3 2.25 . . . . 16.78 108.456 -179.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.59 156.11 13.12 Favored Glycine 0 N--CA 1.505 3.257 2 N-CA-C 102.454 -4.258 . . . . 16.34 102.454 -179.665 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -97.98 158.13 15.71 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 128.704 2.802 . . . . 27.43 117.553 -179.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' HIS . . . . . 0.471 ' NE2' ' O ' ' A' ' 44' ' ' PRO . 26.7 m-70 -81.6 140.18 34.6 Favored 'General case' 0 N--CA 1.474 0.746 1 N-CA-C 100.172 -4.01 . . . . 15.77 100.172 -179.852 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.1 mttt -115.53 -142.25 0.38 Allowed 'General case' 0 C--N 1.277 -2.561 1 C-N-CA 132.007 4.123 . . . . 17.33 100.37 178.082 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.1 m -56.76 -55.02 39.61 Favored 'General case' 0 C--O 1.264 1.847 0 CA-C-O 127.325 3.441 . . . . 17.09 107.081 175.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.87 149.21 19.41 Favored Glycine 0 C--N 1.354 1.576 0 CA-C-N 111.159 -2.746 . . . . 15.89 109.935 177.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' PRO . . . . . 0.665 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 68.9 Cg_endo -63.22 170.46 7.78 Favored 'Trans proline' 0 N--CA 1.443 -1.465 0 C-N-CA 124.083 3.188 . . . . 13.06 117.209 179.848 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ASN . . . . . 0.467 ' ND2' ' OG1' ' A' ' 19' ' ' THR . 12.1 t-20 -85.34 136.1 33.62 Favored 'General case' 0 C--O 1.249 1.049 0 CA-C-N 111.258 -2.701 . . . . 11.92 104.396 178.903 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 19' ' ' THR . 19.2 mt -97.65 18.14 16.25 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 120.21 3.411 . . . . 11.43 120.21 -176.964 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 52.8 t60 -77.77 133.25 38.29 Favored 'General case' 0 C--O 1.253 1.273 0 CA-C-O 124.476 2.084 . . . . 12.07 108.215 -178.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.4 20.02 70.24 Favored Glycine 0 C--O 1.267 2.189 0 CA-C-O 115.332 -2.927 . . . . 10.97 110.122 -177.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 42.8 tp -54.5 -66.49 0.39 Allowed 'General case' 0 C--N 1.297 -1.714 0 O-C-N 128.192 2.937 . . . . 9.94 111.482 179.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -51.22 104.54 0.08 Allowed 'General case' 0 C--N 1.308 -1.206 0 O-C-N 127.906 3.253 . . . . 10.28 117.483 178.349 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.39 1.0 29.54 Favored Glycine 0 C--N 1.294 -1.777 1 CA-C-O 111.77 -4.906 . . . . 13.45 111.464 176.66 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . 0.36 33.4 ttp180 -118.1 157.42 26.92 Favored 'General case' 0 C--N 1.302 -1.479 1 O-C-N 130.957 4.563 . . . . 16.76 108.156 -178.86 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LYS . . . . . 0.599 ' CE ' ' O ' ' A' ' 164' ' ' HOH . 5.5 mmmm -70.92 168.08 17.68 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-O 112.792 -3.48 . . . . 17.6 110.87 -179.803 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 66.9 p -73.3 156.72 38.15 Favored 'General case' 0 C--N 1.311 -1.107 1 O-C-N 131.523 5.514 . . . . 13.8 109.512 -178.363 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 63.25 24.54 67.44 Favored Glycine 0 N--CA 1.44 -1.069 0 N-CA-C 122.975 3.95 . . . . 14.71 122.975 177.525 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -89.92 -22.53 21.94 Favored 'General case' 0 C--O 1.274 2.378 0 C-N-CA 130.143 3.377 . . . . 21.25 119.438 -179.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.87 127.83 69.1 Favored Pre-proline 0 N--CA 1.489 1.51 0 CA-C-N 121.834 2.106 . . . . 18.32 107.583 179.106 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' PRO . . . . . 0.471 ' O ' ' NE2' ' A' ' 26' ' ' HIS . 11.9 Cg_exo -76.69 144.59 25.06 Favored 'Trans proline' 0 C--N 1.316 -1.183 1 C-N-CA 125.832 4.355 . . . . 19.66 107.104 179.519 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLY . . . . . 0.536 ' CA ' ' O ' ' A' ' 118' ' ' HOH . . . 79.57 -14.93 15.22 Favored Glycine 0 C--O 1.265 2.05 2 CA-C-O 110.14 -5.811 . . . . 17.2 110.202 179.766 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -84.05 158.29 21.5 Favored 'General case' 0 C--O 1.262 1.747 0 CA-C-N 122.421 3.11 . . . . 14.1 111.156 -179.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' THR . . . . . 0.751 ' O ' ' NZ ' ' A' ' 79' ' ' LYS 0.303 1.5 m -113.04 94.36 4.86 Favored 'General case' 0 N--CA 1.496 1.828 0 CA-C-O 125.383 2.516 . . . . 15.98 111.948 179.246 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' TYR . . . . . 0.435 ' C ' ' O ' ' A' ' 49' ' ' THR . 71.8 m-85 -73.35 153.42 40.51 Favored 'General case' 0 N--CA 1.499 2.001 1 CA-C-N 106.976 -4.647 . . . . 13.84 114.484 -179.201 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' THR . . . . . 0.72 ' OG1' ' O2D' ' A' ' 105' ' ' HEM . 1.0 OUTLIER -68.36 166.12 17.29 Favored 'General case' 0 C--O 1.273 2.323 2 CA-C-O 108.979 -5.296 . . . . 13.49 100.197 175.856 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ASP . . . . . 0.483 ' OD1' ' NZ ' ' A' ' 53' ' ' LYS . 65.4 m-20 -73.59 -27.66 61.42 Favored 'General case' 0 N--CA 1.508 2.458 1 CA-C-N 127.981 4.9 . . . . 14.93 109.242 -179.391 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.73 -69.97 0.1 Allowed 'General case' 0 C--N 1.29 -2.006 2 C-N-CA 134.165 4.986 . . . . 13.4 107.0 176.358 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ASN . . . . . 0.464 ' ND2' ' O ' ' A' ' 52' ' ' ASN . 0.2 OUTLIER -48.21 -32.01 6.56 Favored 'General case' 0 C--O 1.255 1.384 0 CA-C-O 116.143 -1.884 . . . . 11.54 110.277 179.378 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LYS . . . . . 0.483 ' NZ ' ' OD1' ' A' ' 50' ' ' ASP 0.32 2.9 mtmp? -77.47 -43.79 31.11 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-O 112.791 -3.481 . . . . 11.22 111.405 -179.566 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ASN . . . . . 0.552 ' O ' ' C ' ' A' ' 55' ' ' LYS . 24.4 m120 -84.5 -15.14 46.99 Favored 'General case' 0 C--O 1.263 1.813 1 O-C-N 131.717 5.636 . . . . 13.36 111.725 -177.814 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LYS . . . . . 0.552 ' C ' ' O ' ' A' ' 54' ' ' ASN . 13.9 tptt -42.84 -40.15 2.78 Favored 'General case' 0 C--O 1.25 1.088 0 C-N-CA 115.225 -2.59 . . . . 11.92 108.416 179.144 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 61.93 12.5 36.27 Favored Glycine 0 N--CA 1.43 -1.76 0 O-C-N 117.865 -3.022 . . . . 14.77 119.731 -179.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.7 pp -89.58 171.69 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.257 0 O-C-N 116.734 -3.803 . . . . 15.83 108.484 179.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 54.3 m -106.57 132.4 52.62 Favored 'General case' 0 C--O 1.27 2.144 1 O-C-N 129.316 4.135 . . . . 17.05 107.798 -179.929 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -77.26 136.85 38.54 Favored 'General case' 0 C--O 1.206 -1.186 0 O-C-N 124.615 1.197 . . . . 14.1 108.622 178.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -178.55 171.2 1.57 Allowed 'General case' 0 C--O 1.265 1.891 1 N-CA-C 98.761 -4.533 . . . . 18.67 98.761 -178.323 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -46.53 -43.35 16.88 Favored 'General case' 0 C--O 1.216 -0.666 0 N-CA-C 119.654 3.205 . . . . 19.18 119.654 -175.115 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -62.97 -44.95 94.63 Favored 'General case' 0 C--N 1.311 -1.077 0 C-N-CA 129.841 3.256 . . . . 20.78 115.531 -176.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.0 p -76.53 -30.8 57.28 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 112.187 -3.768 . . . . 12.14 106.531 177.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.0 mt -72.68 -43.31 63.25 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 126.301 2.251 . . . . 11.21 112.291 179.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' MET . . . . . 0.91 ' CE ' ' CD ' ' A' ' 88' ' ' LYS . 11.7 mmm -51.61 -51.38 56.08 Favored 'General case' 0 C--N 1.306 -1.283 0 O-C-N 127.109 2.756 . . . . 19.75 106.166 179.27 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -63.32 -46.3 87.32 Favored 'General case' 0 C--O 1.253 1.283 0 CA-C-N 110.105 -3.225 . . . . 20.26 114.928 -179.101 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -65.28 -51.4 61.03 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-O 114.918 -2.467 . . . . 19.48 111.524 179.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.4 mt -54.29 -20.04 6.42 Favored 'General case' 0 C--O 1.266 1.958 0 CA-C-O 115.747 -2.073 . . . . 15.54 114.382 -178.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLU . . . . . 0.729 ' OE2' ' NZ ' ' A' ' 86' ' ' LYS . 78.9 tt0 -76.18 -35.5 59.11 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 126.663 2.477 . . . . 22.58 114.911 -176.959 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ASN . . . . . 0.614 ' CG ' ' CG ' ' A' ' 73' ' ' LYS . 0.3 OUTLIER -159.81 86.87 2.02 Favored Pre-proline 0 N--CA 1.491 1.589 0 N-CA-C 101.417 -3.549 . . . . 17.35 101.417 178.187 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' PRO . . . . . 0.469 ' CB ' ' O ' ' A' ' 136' ' ' HOH . 24.1 Cg_exo -57.19 -37.37 98.19 Favored 'Trans proline' 0 C--N 1.307 -1.648 0 N-CA-C 109.477 -1.009 . . . . 14.19 109.477 -178.885 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . 0.266 30.9 mttt -65.23 -21.85 66.8 Favored 'General case' 0 C--O 1.254 1.321 0 O-C-N 120.288 -1.507 . . . . 16.28 111.931 -177.096 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LYS . . . . . 0.614 ' CG ' ' CG ' ' A' ' 70' ' ' ASN . 7.4 tttp -91.05 -30.83 16.55 Favored 'General case' 0 CA--C 1.463 -2.394 0 CA-C-O 114.02 -2.895 . . . . 16.86 106.905 -176.964 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' TYR . . . . . 0.532 ' O ' ' NZ ' ' A' ' 55' ' ' LYS . 9.7 t80 -77.51 -31.68 53.65 Favored 'General case' 0 CA--C 1.504 -0.8 1 O-C-N 129.177 4.048 . . . . 11.95 114.277 179.285 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.9 mt -139.59 84.73 15.58 Favored Pre-proline 0 C--N 1.286 -2.19 0 C-N-CA 127.77 2.428 . . . . 13.07 104.579 -178.658 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -68.81 141.31 48.84 Favored 'Trans proline' 0 CA--C 1.561 1.872 1 N-CA-C 100.819 -4.339 . . . . 12.64 100.819 179.208 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.01 19.75 69.27 Favored Glycine 0 C--O 1.247 0.95 0 CA-C-N 110.614 -2.994 . . . . 15.78 116.691 -178.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 t -75.49 135.68 40.66 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 130.696 3.598 . . . . 15.44 104.49 -179.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' LYS . . . . . 0.751 ' NZ ' ' O ' ' A' ' 47' ' ' THR 0.265 3.3 pttt -77.24 -12.46 59.95 Favored 'General case' 0 C--N 1.356 0.868 2 CA-C-O 109.318 -5.134 . . . . 17.29 106.552 -178.112 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.9 ttt -62.15 117.94 6.7 Favored 'General case' 0 C--O 1.263 1.809 0 CA-C-N 123.434 2.834 . . . . 16.53 114.88 179.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 23.9 mm -89.22 93.32 4.29 Favored 'Isoleucine or valine' 0 C--O 1.276 2.459 0 C-N-CA 131.588 3.955 . . . . 19.5 109.883 178.739 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -165.43 117.32 1.13 Allowed 'General case' 0 N--CA 1.473 0.691 1 CA-C-O 109.436 -5.078 . . . . 18.66 111.404 -179.338 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.93 -48.33 64.29 Favored 'General case' 0 C--O 1.254 1.339 1 O-C-N 134.355 7.284 . . . . 17.67 118.041 179.998 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 127.6 162.32 11.07 Favored Glycine 0 C--N 1.293 -1.806 0 CA-C-N 124.112 3.142 . . . . 18.78 108.171 178.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' ILE . . . . . 0.606 ' CD1' ' CD2' ' A' ' 94' ' ' LEU . 5.4 mt -102.09 107.29 21.4 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.022 0 N-CA-C 103.439 -2.8 . . . . 22.22 103.439 -179.981 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LYS . . . . . 0.729 ' NZ ' ' OE2' ' A' ' 69' ' ' GLU 0.251 0.1 OUTLIER -62.23 -60.37 3.68 Favored 'General case' 0 N--CA 1.485 1.302 1 O-C-N 129.674 4.359 . . . . 24.53 114.856 -179.102 . . . . . . . . 5 4 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.8 mmtp -61.29 134.07 56.56 Favored 'General case' 0 C--N 1.316 -0.878 0 C-N-CA 126.741 2.016 . . . . 24.92 113.036 179.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' LYS . . . . . 0.91 ' CD ' ' CE ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -63.75 -36.51 84.1 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 115.461 1.652 . . . . 24.88 115.461 -178.655 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . 0.353 62.9 p -60.14 -50.64 72.9 Favored 'General case' 0 C--O 1.262 1.75 0 O-C-N 120.448 -1.408 . . . . 24.75 113.349 -175.367 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -50.43 -48.77 56.16 Favored 'General case' 0 C--O 1.245 0.842 0 O-C-N 127.728 3.142 . . . . 27.77 109.286 177.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 22.2 mtm180 -63.58 -22.77 67.07 Favored 'General case' 0 C--O 1.25 1.084 0 O-C-N 126.005 2.066 . . . . 21.1 110.415 179.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.88 -34.88 20.87 Favored 'General case' 0 C--O 1.251 1.168 0 C-N-CA 113.769 -3.172 . . . . 25.61 108.036 -178.196 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -57.87 -59.68 4.87 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-N 109.937 -3.301 . . . . 17.24 108.793 179.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' LEU . . . . . 0.606 ' CD2' ' CD1' ' A' ' 85' ' ' ILE . 7.2 tp -61.02 -32.57 72.16 Favored 'General case' 0 C--O 1.272 2.249 0 CA-C-O 116.464 -1.731 . . . . 14.69 107.546 178.825 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ILE . . . . . 0.446 ' O ' ' CG2' ' A' ' 95' ' ' ILE . 4.9 mt -74.2 -31.27 28.82 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.053 0 CA-C-N 122.539 2.427 . . . . 12.65 111.172 178.658 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.9 -44.25 97.41 Favored 'General case' 0 C--N 1.289 -2.049 0 C-N-CA 127.182 2.193 . . . . 13.97 111.349 -179.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . 0.293 40.2 t80 -69.06 -42.05 76.78 Favored 'General case' 0 N--CA 1.442 -0.854 1 O-C-N 131.139 5.274 . . . . 17.34 111.523 179.91 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 18.4 mt -74.96 -35.14 62.11 Favored 'General case' 0 C--O 1.262 1.743 0 O-C-N 125.7 1.875 . . . . 19.45 110.544 179.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 40.9 tttp -56.32 -40.15 73.93 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-O 126.577 3.084 . . . . 23.41 112.024 -177.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' LYS . . . . . 0.703 ' CA ' ' O ' ' A' ' 159' ' ' HOH . 16.1 tttm -69.7 -70.21 0.3 Allowed 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 108.412 -3.995 . . . . 28.02 113.379 -179.986 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.4 -20.6 65.68 Favored 'General case' 0 C--O 1.284 2.898 0 N-CA-C 119.687 3.217 . . . . 21.79 119.687 179.81 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 20.6 p -96.12 -1.36 48.7 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 121.948 2.158 . . . . 20.3 107.268 -179.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . 0.284 18.2 t30 -111.71 -51.46 2.85 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 111.646 -2.525 . . . . 25.36 106.727 178.87 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 . . . . . 0 C--O 1.268 2.06 0 N-CA-C 105.943 -1.873 . . . . 23.38 105.943 176.299 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.265 1.869 . . . . . . . . 33.91 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . 75.14 116.52 0.1 OUTLIER Glycine 0 C--N 1.351 1.405 0 N-CA-C 104.54 -3.424 . . . . 32.31 104.54 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' ASP . . . . . 0.523 ' OD1' ' C ' ' B' ' 2' ' ' ASP . 49.7 t0 -83.09 101.75 11.36 Favored 'General case' 0 C--N 1.309 -1.152 0 N-CA-C 119.723 3.231 . . . . 28.29 119.723 -178.264 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 3.4 p -41.43 -26.45 0.11 Allowed 'Isoleucine or valine' 0 C--O 1.262 1.716 1 CA-C-O 110.138 -4.744 . . . . 29.76 115.348 178.051 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLU . . . . . 0.545 ' OE1' ' O ' ' B' ' 155' ' ' HOH . 1.5 tm-20 -105.82 -25.34 12.21 Favored 'General case' 0 C--N 1.306 -1.318 1 CA-C-N 128.648 5.203 . . . . 34.36 107.587 -176.23 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' LYS . . . . . 0.511 ' CE ' ' OD2' ' B' ' 93' ' ' ASP . 37.0 mtmt -58.47 -48.43 80.79 Favored 'General case' 0 C--O 1.25 1.131 0 N-CA-C 103.125 -2.917 . . . . 32.5 103.125 176.589 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -74.18 4.32 33.3 Favored Glycine 0 N--CA 1.437 -1.243 0 C-N-CA 129.23 3.3 . . . . 30.5 109.192 -176.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.04 -59.37 2.28 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 104.717 -2.327 . . . . 32.47 104.717 -179.853 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -47.59 -44.68 26.6 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-N 108.496 -3.956 . . . . 25.77 110.169 178.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 4.5 mt -66.83 -23.46 31.08 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.065 0 CA-C-O 122.456 1.122 . . . . 22.78 110.475 -177.489 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' B' ' 10' ' ' PHE . 3.0 t80 -83.52 -41.23 18.2 Favored 'General case' 0 C--O 1.203 -1.369 0 CA-C-O 113.217 -3.277 . . . . 19.1 107.07 -176.785 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 3.5 m -76.12 -13.07 14.73 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.652 1 O-C-N 130.272 4.733 . . . . 21.74 111.675 -176.637 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.84 11.42 31.91 Favored 'General case' 0 C--N 1.287 -2.112 1 O-C-N 130.59 4.931 . . . . 24.71 109.544 -179.426 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' LYS . . . . . 0.408 ' CE ' ' CE1' ' B' ' 82' ' ' PHE . 0.7 OUTLIER -165.2 -9.37 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.356 0 O-C-N 117.337 -3.352 . . . . 22.71 113.78 -178.048 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 35.9 m -122.23 -25.8 4.8 Favored 'General case' 0 C--N 1.294 -1.809 0 CA-C-O 123.744 1.735 . . . . 19.58 114.714 -178.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' ALA . . . . . 0.446 ' O ' ' NZ ' ' B' ' 27' ' ' LYS . . . -54.75 -41.35 70.34 Favored 'General case' 0 N--CA 1.474 0.757 1 CA-C-N 107.28 -4.509 . . . . 20.21 116.182 -177.509 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -49.25 -51.29 34.41 Favored 'General case' 0 C--O 1.273 2.303 0 CA-C-O 112.056 -3.831 . . . . 23.88 108.98 -178.739 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 1.9 m -110.26 -3.95 15.97 Favored 'General case' 0 C--O 1.28 2.708 1 O-C-N 134.269 7.231 . . . . 19.59 118.274 179.283 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -133.14 149.27 52.09 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 118.509 2.781 . . . . 19.79 118.509 178.393 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' THR . . . . . 0.413 ' OG1' ' ND2' ' B' ' 31' ' ' ASN . 41.4 p -109.52 152.64 25.19 Favored 'General case' 0 C--O 1.25 1.126 0 C-N-CA 128.576 2.75 . . . . 27.72 110.235 176.412 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -129.87 -20.39 1.48 Allowed 'Isoleucine or valine' 0 C--O 1.259 1.6 0 N-CA-C 118.076 2.621 . . . . 33.95 118.076 178.582 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' B' ' 22' ' ' LYS . 23.6 tt0 -63.43 152.32 38.59 Favored 'General case' 0 C--O 1.25 1.08 0 N-CA-C 105.164 -2.161 . . . . 40.38 105.164 -179.895 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' LYS . . . . . 0.424 ' N ' ' CG ' ' B' ' 21' ' ' GLU . 0.8 OUTLIER -70.27 157.01 38.48 Favored 'General case' 0 C--N 1.307 -1.265 0 C-N-CA 115.729 -2.388 . . . . 37.81 105.592 179.149 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.56 -22.46 10.87 Favored Glycine 0 N--CA 1.48 1.633 0 O-C-N 128.594 3.684 . . . . 36.85 111.071 179.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -29.39 142.12 0.01 OUTLIER Glycine 0 C--O 1.249 1.032 0 O-C-N 127.511 2.536 . . . . 35.4 118.019 179.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' LYS . . . . . 0.738 ' NZ ' ' CB ' ' B' ' 25' ' ' LYS . 2.7 mtpm? -101.65 113.4 26.52 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 116.237 -2.185 . . . . 35.43 113.861 -178.618 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -38.55 135.28 0.82 Allowed 'General case' 0 C--N 1.3 -1.566 0 O-C-N 126.873 2.608 . . . . 29.85 113.903 177.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' LYS . . . . . 0.476 ' O ' ' C ' ' B' ' 28' ' ' THR . 38.7 mtpt -112.24 -147.94 0.42 Allowed 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 101.956 -3.35 . . . . 24.21 101.956 174.178 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' THR . . . . . 0.476 ' C ' ' O ' ' B' ' 27' ' ' LYS . 27.0 m -42.7 -37.48 1.75 Allowed 'General case' 0 C--N 1.294 -1.818 0 O-C-N 117.542 -3.224 . . . . 21.83 105.404 178.1 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -113.03 150.55 18.44 Favored Glycine 0 C--N 1.341 0.85 0 N-CA-C 121.683 3.433 . . . . 22.0 121.683 -177.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -60.63 136.86 69.72 Favored 'Trans proline' 0 CA--C 1.506 -0.902 1 CA-C-O 109.783 -4.34 . . . . 24.14 109.885 -177.312 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' ASN . . . . . 0.413 ' ND2' ' OG1' ' B' ' 19' ' ' THR . 5.1 t-20 -60.72 144.97 51.11 Favored 'General case' 0 N--CA 1.499 1.991 1 O-C-N 133.533 6.771 . . . . 24.78 101.849 178.904 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 13.8 mt -92.49 -27.23 17.56 Favored 'General case' 0 C--O 1.269 2.112 0 O-C-N 126.693 2.496 . . . . 25.63 115.609 -178.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' HIS . . . . . 0.486 ' C ' ' CD2' ' B' ' 33' ' ' HIS . 9.7 t60 -46.78 103.95 0.05 OUTLIER 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 115.747 1.758 . . . . 29.98 115.747 -177.651 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.97 19.35 9.13 Favored Glycine 0 C--O 1.242 0.612 0 C-N-CA 129.154 3.264 . . . . 27.03 114.554 179.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' LEU . . . . . 0.584 ' CD1' ' CD1' ' B' ' 59' ' ' TRP . 48.3 tp -52.25 -59.74 4.04 Favored 'General case' 0 C--O 1.261 1.69 0 C-N-CA 126.737 2.015 . . . . 29.45 115.821 -177.481 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' PHE . . . . . 0.684 ' CE2' ' CA ' ' B' ' 99' ' ' LYS . 96.6 m-85 -56.24 127.25 29.88 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 117.334 -1.317 . . . . 32.91 108.597 -177.088 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' GLY . . . . . 0.645 ' O ' ' CG2' ' B' ' 58' ' ' THR . . . 108.69 -49.11 0.88 Allowed Glycine 0 C--O 1.247 0.965 1 O-C-N 130.439 4.837 . . . . 36.8 113.699 -177.089 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -67.56 137.23 55.56 Favored 'General case' 0 C--O 1.244 0.803 1 C-N-CA 132.309 4.244 . . . . 38.73 119.908 -179.089 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' LYS . . . . . 1.077 ' O ' ' O ' ' B' ' 110' ' ' HOH . 4.2 mttm -70.26 161.05 31.07 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 107.577 -1.268 . . . . 38.01 107.577 178.543 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' THR . . . . . 0.506 ' O ' ' O ' ' B' ' 123' ' ' HOH . 31.0 p -59.38 142.06 53.1 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 124.281 0.988 . . . . 37.86 113.611 -176.738 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 61.86 61.92 6.25 Favored Glycine 0 C--O 1.263 1.944 0 CA-C-N 113.641 -1.618 . . . . 39.34 116.105 178.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -137.2 18.96 2.96 Favored 'General case' 0 C--O 1.261 1.708 0 CA-C-O 112.801 -3.476 . . . . 40.79 117.031 -178.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.27 137.3 93.92 Favored Pre-proline 0 N--CA 1.491 1.578 1 N-CA-C 99.479 -4.267 . . . . 38.75 99.479 178.363 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -68.86 134.17 29.23 Favored 'Trans proline' 0 C--O 1.265 1.831 0 O-C-N 128.192 3.732 . . . . 38.17 105.859 -179.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.27 56.59 5.1 Favored Glycine 0 C--O 1.283 3.158 0 O-C-N 125.233 1.583 . . . . 34.73 116.437 179.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -142.77 138.9 30.78 Favored 'General case' 0 N--CA 1.487 1.389 1 CA-C-O 109.777 -4.916 . . . . 28.73 101.118 -179.064 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' THR . . . . . 0.583 ' O ' ' NZ ' ' B' ' 79' ' ' LYS . 10.2 m -93.35 82.8 4.49 Favored 'General case' 0 N--CA 1.485 1.276 2 O-C-N 132.502 6.126 . . . . 31.21 102.957 -179.434 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' TYR . . . . . 0.673 ' CD2' ' ND2' ' B' ' 52' ' ' ASN . 42.3 m-85 -60.49 -177.31 0.07 Allowed 'General case' 0 C--N 1.301 -1.509 0 O-C-N 128.876 3.86 . . . . 33.16 102.761 179.24 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' THR . . . . . 0.444 ' CG2' ' O ' ' B' ' 77' ' ' GLY 0.304 0.2 OUTLIER -69.99 -115.49 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.867 2 O-C-N 130.37 4.794 . . . . 34.07 99.03 176.997 . . . . . . . . 5 4 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -167.01 -12.34 0.02 OUTLIER 'General case' 0 C--N 1.287 -2.138 0 N-CA-C 100.504 -3.888 . . . . 39.06 100.504 -176.138 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -97.52 -31.78 12.15 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 100.967 -3.716 . . . . 37.74 100.967 -179.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' ASN . . . . . 0.695 ' ND2' ' O ' ' B' ' 52' ' ' ASN . 0.1 OUTLIER -91.17 0.14 57.59 Favored 'General case' 0 C--O 1.248 1.003 2 O-C-N 131.227 5.329 . . . . 36.43 102.403 179.345 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' LYS . . . . . 0.504 ' NZ ' ' OD1' ' B' ' 54' ' ' ASN 0.254 8.7 ptpt -119.77 12.41 12.15 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 127.555 3.034 . . . . 35.06 105.136 179.181 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' ASN . . . . . 0.504 ' OD1' ' NZ ' ' B' ' 53' ' ' LYS . 9.6 m-20 -136.22 18.59 3.18 Favored 'General case' 0 C--O 1.251 1.138 1 O-C-N 132.048 5.843 . . . . 38.05 114.706 -177.422 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -69.38 -36.74 77.1 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 126.068 2.105 . . . . 36.26 107.594 178.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 55.73 70.22 1.03 Allowed Glycine 0 CA--C 1.534 1.255 0 CA-C-N 109.553 -3.476 . . . . 36.78 111.367 179.239 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' ILE . . . . . 0.488 ' O ' ' CA ' ' B' ' 39' ' ' LYS . 2.8 pt -154.22 167.36 1.1 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.232 0 O-C-N 128.024 2.838 . . . . 35.3 108.694 -179.744 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' THR . . . . . 0.645 ' CG2' ' O ' ' B' ' 37' ' ' GLY 0.286 0.0 OUTLIER -113.18 139.78 48.48 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 128.151 3.834 . . . . 33.79 111.052 -178.984 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' TRP . . . . . 0.584 ' CD1' ' CD1' ' B' ' 35' ' ' LEU . 30.6 m95 -79.26 122.4 26.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 111.033 -2.803 . . . . 31.41 105.724 -177.899 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -159.67 161.96 35.01 Favored 'General case' 0 C--O 1.254 1.303 1 O-C-N 133.8 6.938 . . . . 30.3 104.464 178.338 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -38.4 -28.5 0.02 OUTLIER 'General case' 0 C--N 1.307 -1.256 0 O-C-N 128.11 3.382 . . . . 28.02 111.398 179.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . 0.255 40.6 tt0 -89.79 -41.6 11.76 Favored 'General case' 0 C--O 1.251 1.145 0 CA-C-N 123.231 2.741 . . . . 32.96 116.706 -175.508 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' THR . . . . . 0.46 ' OG1' ' O ' ' B' ' 58' ' ' THR . 6.6 p -65.5 -56.23 13.5 Favored 'General case' 0 C--O 1.256 1.41 2 O-C-N 135.505 8.003 . . . . 27.35 102.914 179.256 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 13.7 mt -45.94 -44.53 14.83 Favored 'General case' 0 C--N 1.315 -0.921 0 O-C-N 126.553 2.408 . . . . 24.82 112.708 177.666 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 1.5 mmm -62.83 -31.79 72.88 Favored 'General case' 0 C--N 1.297 -1.691 0 C-N-CA 124.665 1.186 . . . . 25.41 112.181 -178.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -74.78 -40.21 61.29 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 118.184 -1.406 . . . . 26.78 108.891 -178.824 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -63.59 -52.15 62.21 Favored 'General case' 0 C--O 1.266 1.925 1 CA-C-O 110.43 -4.605 . . . . 25.48 114.047 -179.061 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 5.7 mt -59.22 -32.54 70.06 Favored 'General case' 0 CA--C 1.494 -1.175 1 O-C-N 132.569 6.168 . . . . 23.75 115.76 -177.009 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -57.7 -43.12 84.93 Favored 'General case' 0 C--N 1.277 -2.559 0 O-C-N 119.524 -1.985 . . . . 29.95 112.998 -179.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -168.47 82.96 0.74 Allowed Pre-proline 0 C--N 1.32 -0.689 0 O-C-N 126.816 2.572 . . . . 25.14 114.993 -178.232 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -46.35 -46.56 16.74 Favored 'Trans proline' 0 C--N 1.296 -2.23 0 C-N-CA 122.969 2.446 . . . . 26.2 116.968 177.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . 0.352 0.3 OUTLIER -65.68 -31.63 72.75 Favored 'General case' 0 C--O 1.258 1.541 0 CA-C-N 122.958 2.617 . . . . 28.14 112.007 -178.119 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -22.94 59.26 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-O 125.093 2.378 . . . . 30.62 106.754 177.622 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -81.2 -72.57 0.42 Allowed 'General case' 0 CA--C 1.507 -0.711 0 CA-C-O 115.181 -2.342 . . . . 30.92 106.299 179.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 34.6 mt -112.22 67.19 0.84 Allowed Pre-proline 0 C--N 1.298 -1.662 0 N-CA-C 117.977 2.584 . . . . 29.16 117.977 -179.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -46.45 138.38 13.98 Favored 'Trans proline' 0 C--O 1.273 2.246 0 C-N-CA 123.458 2.772 . . . . 29.46 108.588 178.15 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' GLY . . . . . 0.444 ' O ' ' CG2' ' B' ' 49' ' ' THR . . . 97.24 4.22 58.55 Favored Glycine 0 N--CA 1.482 1.728 0 CA-C-O 124.792 2.329 . . . . 26.84 108.632 -178.898 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -88.48 144.64 26.22 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 114.067 -2.873 . . . . 23.69 110.021 -179.597 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' LYS . . . . . 0.583 ' NZ ' ' O ' ' B' ' 47' ' ' THR . 1.2 ptmt -90.48 22.78 3.26 Favored 'General case' 0 C--N 1.28 -2.416 0 CA-C-O 127.788 3.661 . . . . 21.14 113.087 177.032 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' MET . . . . . 0.466 ' CE ' ' C4B' ' B' ' 105' ' ' HEM . 2.2 ttt -100.7 100.03 10.66 Favored 'General case' 0 N--CA 1.49 1.572 1 N-CA-C 95.568 -5.715 . . . . 18.88 95.568 178.56 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . 0.254 3.0 mm -92.69 90.38 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 1 O-C-N 129.892 4.495 . . . . 18.06 103.843 -179.977 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' PHE . . . . . 0.408 ' CE1' ' CE ' ' B' ' 13' ' ' LYS . 88.8 t80 -144.76 136.75 25.91 Favored 'General case' 0 N--CA 1.499 2.0 1 CA-C-O 111.624 -4.036 . . . . 22.88 106.433 -178.974 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.52 -30.13 64.21 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-N 125.17 3.623 . . . . 21.28 120.673 179.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . 124.93 179.2 15.62 Favored Glycine 0 N--CA 1.504 3.205 0 O-C-N 116.959 -3.588 . . . . 24.36 111.352 -177.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 71.0 mt -117.91 83.29 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.037 0 N-CA-C 103.269 -2.863 . . . . 25.31 103.269 177.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' LYS . . . . . 0.553 ' CD ' ' O ' ' B' ' 153' ' ' HOH 0.284 0.0 OUTLIER -51.81 -30.96 25.4 Favored 'General case' 0 C--O 1.282 2.809 1 CA-C-O 111.358 -4.163 . . . . 28.29 114.687 -176.95 . . . . . . . . 5 4 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -84.01 124.01 30.61 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 123.962 3.074 . . . . 30.69 117.943 -178.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' B' ' 92' ' ' GLU 0.27 5.1 tptp -42.58 -53.77 4.25 Favored 'General case' 0 C--O 1.265 1.884 1 CA-C-O 134.226 6.727 . . . . 27.19 115.027 178.584 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . 0.397 0.0 OUTLIER -61.28 -27.43 68.46 Favored 'General case' 0 CA--C 1.489 -1.366 1 O-C-N 114.282 -5.261 . . . . 23.91 114.083 -177.496 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -86.25 -42.04 14.1 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 106.217 -1.771 . . . . 25.73 106.217 -178.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 20.3 mtm180 -66.79 -40.02 87.99 Favored 'General case' 0 N--CA 1.479 1.012 1 O-C-N 132.787 6.304 . . . . 19.57 107.058 176.756 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' B' ' 88' ' ' LYS . 39.1 mt-10 -59.61 -44.74 93.32 Favored 'General case' 0 C--O 1.25 1.125 0 CA-C-O 114.709 -2.567 . . . . 24.03 110.81 179.48 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' ASP . . . . . 0.511 ' OD2' ' CE ' ' B' ' 5' ' ' LYS . 25.1 m-20 -64.8 -39.66 93.95 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 121.458 1.936 . . . . 23.03 113.534 179.438 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 19.2 tp -67.14 -42.12 84.93 Favored 'General case' 0 C--O 1.253 1.268 0 CA-C-O 116.161 -1.876 . . . . 20.03 111.057 -178.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 54.0 mt -61.46 -35.48 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 1 O-C-N 129.894 4.496 . . . . 19.03 114.84 179.819 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.04 -59.89 4.41 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 103.63 -2.73 . . . . 18.17 103.63 -179.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -48.34 -44.19 34.02 Favored 'General case' 0 N--CA 1.5 2.047 1 O-C-N 129.257 4.098 . . . . 23.13 111.219 179.503 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' LEU . . . . . 0.63 ' O ' ' N ' ' B' ' 102' ' ' THR . 33.8 mt -54.59 -63.44 1.15 Allowed 'General case' 0 CA--C 1.501 -0.926 0 O-C-N 126.683 2.49 . . . . 17.76 109.354 -179.752 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' LYS . . . . . 0.684 ' CA ' ' CE2' ' B' ' 36' ' ' PHE . 6.8 ttmt -41.43 -48.0 3.72 Favored 'General case' 0 C--N 1.291 -1.942 0 C-N-CA 130.728 3.611 . . . . 21.78 109.967 -179.595 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' LYS . . . . . 0.711 ' O ' ' N ' ' B' ' 103' ' ' ASN . 0.1 OUTLIER -69.73 -104.33 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 100.567 -3.864 . . . . 20.91 100.567 179.067 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' B' ' 100' ' ' LYS . . . -22.57 -46.42 0.01 OUTLIER 'General case' 0 C--O 1.261 1.682 1 CA-C-O 111.257 -4.211 . . . . 26.44 111.265 -177.342 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' THR . . . . . 0.63 ' N ' ' O ' ' B' ' 98' ' ' LEU . 45.9 p -71.53 10.14 0.7 Allowed 'General case' 0 N--CA 1.483 1.189 0 CA-C-O 112.341 -3.695 . . . . 30.78 111.227 179.551 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' ASN . . . . . 0.711 ' N ' ' O ' ' B' ' 100' ' ' LYS . 5.0 m120 -119.73 -0.98 10.63 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 126.34 2.275 . . . . 36.77 116.153 -177.967 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' GLU . . . . . 0.407 ' O ' ' CG ' ' B' ' 104' ' ' GLU 0.41 4.1 pt-20 . . . . . 0 C--O 1.269 2.099 0 C-N-CA 128.492 2.717 . . . . 43.24 114.238 -179.408 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HEM . . . . . 0.72 ' O2D' ' OG1' ' A' ' 49' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' HEM . . . . . 0.466 ' C4B' ' CE ' ' B' ' 80' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . 0.536 ' O ' ' CA ' ' A' ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' HOH . . . . . 0.415 ' O ' ' CH3' ' A' ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' HOH . . . . . 0.469 ' O ' ' CB ' ' A' ' 71' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 159' ' ' HOH . . . . . 0.703 ' O ' ' CA ' ' A' ' 100' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 164' ' ' HOH . . . . . 0.599 ' O ' ' CE ' ' A' ' 39' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 167' ' ' HOH . . . . . 0.408 ' O ' ' CG2' ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 170' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 171' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' HOH . . . . . 0.608 ' O ' ' OD1' ' B' ' 52' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' HOH . . . . . 1.077 ' O ' ' O ' ' B' ' 39' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' HOH . . . . . 0.506 ' O ' ' O ' ' B' ' 40' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 148' ' ' HOH . . . . . 0.522 ' O ' ' NZ ' ' B' ' 39' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 153' ' ' HOH . . . . . 0.553 ' O ' ' CD ' ' B' ' 86' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 155' ' ' HOH . . . . . 0.545 ' O ' ' OE1' ' B' ' 4' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 0' ' ' ACE . . . . . 0.417 ' H1 ' ' O ' ' A' ' 135' ' ' HOH . . . . . . . . 0 C--O 1.245 0.866 . . . . . . . . 18.66 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 74.54 50.38 9.72 Favored Glycine 0 C--N 1.367 2.289 1 CA-C-O 112.946 -4.252 . . . . 19.3 107.134 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -90.41 103.33 16.03 Favored 'General case' 0 CA--C 1.552 1.047 0 O-C-N 129.481 3.695 . . . . 22.47 101.249 179.064 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' VAL . . . . . 0.613 HG11 ' HD2' ' A' ' 100' ' ' LYS . 13.2 t -65.21 -25.86 38.34 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 1 C-N-CA 132.062 4.145 . . . . 27.95 108.901 -179.335 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLU . . . . . 1.015 ' O ' ' HE2' ' A' ' 8' ' ' LYS . 30.5 tt0 -83.4 -18.35 39.06 Favored 'General case' 0 C--O 1.26 1.629 0 C-N-CA 130.617 3.567 . . . . 36.8 112.35 -179.277 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -103.55 -28.25 11.86 Favored 'General case' 0 C--O 1.256 1.429 0 CA-C-O 126.079 2.847 . . . . 30.32 106.704 176.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.09 -58.97 11.34 Favored Glycine 0 CA--C 1.548 2.13 1 N-CA-C 101.952 -4.459 . . . . 27.39 101.952 177.587 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LYS . . . . . 0.618 ' O ' HG13 ' A' ' 11' ' ' VAL . 67.5 tttt -45.94 -36.88 5.83 Favored 'General case' 0 C--O 1.246 0.889 0 O-C-N 127.498 2.528 . . . . 30.23 112.642 179.178 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . 1.015 ' HE2' ' O ' ' A' ' 4' ' ' GLU . 18.9 mmtt -69.26 -33.97 74.06 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 123.86 1.79 . . . . 30.07 114.754 -179.222 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ILE . . . . . 0.425 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 28.7 mt -71.3 -39.25 72.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 112.26 -2.245 . . . . 23.92 108.097 -179.404 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -60.83 -54.12 49.01 Favored 'General case' 0 C--N 1.288 -2.066 0 CA-C-N 112.072 -2.331 . . . . 21.55 108.489 179.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' VAL . . . . . 0.618 HG13 ' O ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -68.48 -43.41 83.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-O 114.164 -2.827 . . . . 20.22 110.627 -175.962 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLN . . . . . 0.513 ' N ' ' CG2' ' A' ' 11' ' ' VAL . 95.6 mm-40 -68.77 -29.08 67.38 Favored 'General case' 0 C--N 1.319 -0.718 1 O-C-N 134.357 7.286 . . . . 29.05 113.352 -179.567 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 59.2 mttt -125.2 -7.2 7.08 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 121.379 3.844 . . . . 19.3 121.379 -175.563 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.5 m -127.98 -31.94 2.34 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 116.26 1.948 . . . . 15.78 116.26 179.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . 0.387 . . -50.49 -33.11 20.14 Favored 'General case' 0 N--CA 1.51 2.562 0 O-C-N 128.04 3.338 . . . . 16.41 110.774 -175.995 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLN . . . . . 0.404 ' O ' ' HD2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -47.83 -50.57 25.73 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 116.959 -3.588 . . . . 21.09 113.488 178.338 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 17' ' ' CYS . . . . . 0.447 ' HB3' ' H ' ' A' ' 29' ' ' GLY . 4.4 m -104.11 -1.07 27.85 Favored 'General case' 0 CA--C 1.483 -1.6 0 CA-C-O 113.417 -3.183 . . . . 12.7 113.533 -178.778 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' HIS . . . . . 0.61 ' ND1' ' O ' ' A' ' 30' ' ' PRO 0.326 91.0 m-70 -139.23 145.89 39.79 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 121.701 3.963 . . . . 9.45 121.701 -178.269 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 19' ' ' THR . . . . . 0.505 ' O ' ' HA ' ' A' ' 31' ' ' ASN . 15.5 p -121.27 133.14 55.13 Favored 'General case' 0 N--CA 1.423 -1.786 1 O-C-N 131.582 5.551 . . . . 13.99 108.387 177.253 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 20' ' ' VAL . . . . . 0.56 HG21 ' O ' ' A' ' 167' ' ' HOH . 3.9 m -109.81 -6.88 11.27 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.354 0 CA-C-N 109.202 -3.635 . . . . 15.92 113.091 -179.254 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . 0.254 56.9 mp0 -85.07 158.95 20.29 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 123.108 2.686 . . . . 16.81 111.954 -178.727 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . 0.46 ' HZ2' ' HG2' ' A' ' 22' ' ' LYS . 19.5 tttm -70.74 130.73 42.48 Favored 'General case' 0 C--O 1.269 2.124 1 O-C-N 130.371 4.794 . . . . 20.07 107.46 178.645 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.32 -7.24 64.87 Favored Glycine 0 N--CA 1.483 1.798 0 O-C-N 126.3 2.25 . . . . 16.78 108.456 -179.44 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.59 156.11 13.12 Favored Glycine 0 N--CA 1.505 3.257 2 N-CA-C 102.454 -4.258 . . . . 16.34 102.454 -179.665 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 144' ' ' HOH . 24.2 mttt -97.98 158.13 15.71 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 128.704 2.802 . . . . 27.43 117.553 -179.579 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' HIS . . . . . 0.41 ' NE2' ' O ' ' A' ' 44' ' ' PRO . 26.7 m-70 -81.6 140.18 34.6 Favored 'General case' 0 N--CA 1.474 0.746 1 N-CA-C 100.172 -4.01 . . . . 15.77 100.172 -179.852 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . 0.404 ' HD2' ' O ' ' A' ' 16' ' ' GLN . 55.1 mttt -115.53 -142.25 0.38 Allowed 'General case' 0 C--N 1.277 -2.561 1 C-N-CA 132.007 4.123 . . . . 17.33 100.37 178.082 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 28' ' ' THR . . . . . 0.404 ' HB ' ' HB3' ' A' ' 17' ' ' CYS . 28.1 m -56.76 -55.02 39.61 Favored 'General case' 0 C--O 1.264 1.847 0 CA-C-O 127.325 3.441 . . . . 17.09 107.081 175.906 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . 0.447 ' H ' ' HB3' ' A' ' 17' ' ' CYS . . . -92.87 149.21 19.41 Favored Glycine 0 C--N 1.354 1.576 0 CA-C-N 111.159 -2.746 . . . . 15.89 109.935 177.524 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' PRO . . . . . 0.61 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 68.9 Cg_endo -63.22 170.46 7.78 Favored 'Trans proline' 0 N--CA 1.443 -1.465 0 C-N-CA 124.083 3.188 . . . . 13.06 117.209 179.848 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ASN . . . . . 0.505 ' HA ' ' O ' ' A' ' 19' ' ' THR . 12.1 t-20 -85.34 136.1 33.62 Favored 'General case' 0 C--O 1.249 1.049 0 CA-C-N 111.258 -2.701 . . . . 11.92 104.396 178.903 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . 0.49 ' O ' ' HB ' ' A' ' 102' ' ' THR . 19.2 mt -97.65 18.14 16.25 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 120.21 3.411 . . . . 11.43 120.21 -176.964 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 52.8 t60 -77.77 133.25 38.29 Favored 'General case' 0 C--O 1.253 1.273 0 CA-C-O 124.476 2.084 . . . . 12.07 108.215 -178.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.4 20.02 70.24 Favored Glycine 0 C--O 1.267 2.189 0 CA-C-O 115.332 -2.927 . . . . 10.97 110.122 -177.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 42.8 tp -54.5 -66.49 0.39 Allowed 'General case' 0 C--N 1.297 -1.714 0 O-C-N 128.192 2.937 . . . . 9.94 111.482 179.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -51.22 104.54 0.08 Allowed 'General case' 0 C--N 1.308 -1.206 0 O-C-N 127.906 3.253 . . . . 10.28 117.483 178.349 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.39 1.0 29.54 Favored Glycine 0 C--N 1.294 -1.777 1 CA-C-O 111.77 -4.906 . . . . 13.45 111.464 176.66 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ARG . . . . . 0.486 ' HG2' ' HG3' ' A' ' 42' ' ' GLN 0.36 33.4 ttp180 -118.1 157.42 26.92 Favored 'General case' 0 C--N 1.302 -1.479 1 O-C-N 130.957 4.563 . . . . 16.76 108.156 -178.86 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LYS . . . . . 1.029 ' HE2' ' O ' ' A' ' 164' ' ' HOH . 5.5 mmmm -70.92 168.08 17.68 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-O 112.792 -3.48 . . . . 17.6 110.87 -179.803 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' THR . . . . . 0.73 HG22 ' CZ2' ' A' ' 59' ' ' TRP . 66.9 p -73.3 156.72 38.15 Favored 'General case' 0 C--N 1.311 -1.107 1 O-C-N 131.523 5.514 . . . . 13.8 109.512 -178.363 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 63.25 24.54 67.44 Favored Glycine 0 N--CA 1.44 -1.069 0 N-CA-C 122.975 3.95 . . . . 14.71 122.975 177.525 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLN . . . . . 0.604 ' HB2' ' O ' ' A' ' 107' ' ' HOH . 10.5 mm100 -89.92 -22.53 21.94 Favored 'General case' 0 C--O 1.274 2.378 0 C-N-CA 130.143 3.377 . . . . 21.25 119.438 -179.712 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ALA . . . . . 0.479 ' HB3' ' OH ' ' A' ' 48' ' ' TYR . . . -55.87 127.83 69.1 Favored Pre-proline 0 N--CA 1.489 1.51 0 CA-C-N 121.834 2.106 . . . . 18.32 107.583 179.106 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' PRO . . . . . 0.495 ' HD2' ' O ' ' A' ' 128' ' ' HOH . 11.9 Cg_exo -76.69 144.59 25.06 Favored 'Trans proline' 0 C--N 1.316 -1.183 1 C-N-CA 125.832 4.355 . . . . 19.66 107.104 179.519 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLY . . . . . 0.536 ' CA ' ' O ' ' A' ' 118' ' ' HOH . . . 79.57 -14.93 15.22 Favored Glycine 0 C--O 1.265 2.05 2 CA-C-O 110.14 -5.811 . . . . 17.2 110.202 179.766 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 46' ' ' PHE . . . . . 0.535 ' CZ ' ' HD3' ' A' ' 30' ' ' PRO . 63.3 t80 -84.05 158.29 21.5 Favored 'General case' 0 C--O 1.262 1.747 0 CA-C-N 122.421 3.11 . . . . 14.1 111.156 -179.954 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' THR . . . . . 0.603 ' O ' ' NZ ' ' A' ' 79' ' ' LYS 0.303 1.5 m -113.04 94.36 4.86 Favored 'General case' 0 N--CA 1.496 1.828 0 CA-C-O 125.383 2.516 . . . . 15.98 111.948 179.246 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 48' ' ' TYR . . . . . 0.479 ' OH ' ' HB3' ' A' ' 43' ' ' ALA . 71.8 m-85 -73.35 153.42 40.51 Favored 'General case' 0 N--CA 1.499 2.001 1 CA-C-N 106.976 -4.647 . . . . 13.84 114.484 -179.201 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 49' ' ' THR . . . . . 0.72 ' OG1' ' O2D' ' A' ' 105' ' ' HEM . 1.0 OUTLIER -68.36 166.12 17.29 Favored 'General case' 0 C--O 1.273 2.323 2 CA-C-O 108.979 -5.296 . . . . 13.49 100.197 175.856 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASP . . . . . 0.432 ' OD1' ' NZ ' ' A' ' 53' ' ' LYS . 65.4 m-20 -73.59 -27.66 61.42 Favored 'General case' 0 N--CA 1.508 2.458 1 CA-C-N 127.981 4.9 . . . . 14.93 109.242 -179.391 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.73 -69.97 0.1 Allowed 'General case' 0 C--N 1.29 -2.006 2 C-N-CA 134.165 4.986 . . . . 13.4 107.0 176.358 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ASN . . . . . 0.431 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 0.2 OUTLIER -48.21 -32.01 6.56 Favored 'General case' 0 C--O 1.255 1.384 0 CA-C-O 116.143 -1.884 . . . . 11.54 110.277 179.378 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LYS . . . . . 0.432 ' NZ ' ' OD1' ' A' ' 50' ' ' ASP 0.32 2.9 mtmp? -77.47 -43.79 31.11 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-O 112.791 -3.481 . . . . 11.22 111.405 -179.566 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ASN . . . . . 0.552 ' O ' ' C ' ' A' ' 55' ' ' LYS . 24.4 m120 -84.5 -15.14 46.99 Favored 'General case' 0 C--O 1.263 1.813 1 O-C-N 131.717 5.636 . . . . 13.36 111.725 -177.814 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LYS . . . . . 0.552 ' C ' ' O ' ' A' ' 54' ' ' ASN . 13.9 tptt -42.84 -40.15 2.78 Favored 'General case' 0 C--O 1.25 1.088 0 C-N-CA 115.225 -2.59 . . . . 11.92 108.416 179.144 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLY . . . . . 0.456 ' HA2' ' O ' ' A' ' 164' ' ' HOH . . . 61.93 12.5 36.27 Favored Glycine 0 N--CA 1.43 -1.76 0 O-C-N 117.865 -3.022 . . . . 14.77 119.731 -179.828 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ILE . . . . . 0.553 HD12 ' C ' ' A' ' 57' ' ' ILE . 2.7 pp -89.58 171.69 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.257 0 O-C-N 116.734 -3.803 . . . . 15.83 108.484 179.567 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 54.3 m -106.57 132.4 52.62 Favored 'General case' 0 C--O 1.27 2.144 1 O-C-N 129.316 4.135 . . . . 17.05 107.798 -179.929 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' TRP . . . . . 0.73 ' CZ2' HG22 ' A' ' 40' ' ' THR . 88.1 m95 -77.26 136.85 38.54 Favored 'General case' 0 C--O 1.206 -1.186 0 O-C-N 124.615 1.197 . . . . 14.1 108.622 178.272 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -178.55 171.2 1.57 Allowed 'General case' 0 C--O 1.265 1.891 1 N-CA-C 98.761 -4.533 . . . . 18.67 98.761 -178.323 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLU . . . . . 0.515 ' HG3' HG21 ' A' ' 95' ' ' ILE . 10.9 mp0 -46.53 -43.35 16.88 Favored 'General case' 0 C--O 1.216 -0.666 0 N-CA-C 119.654 3.205 . . . . 19.18 119.654 -175.115 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -62.97 -44.95 94.63 Favored 'General case' 0 C--N 1.311 -1.077 0 C-N-CA 129.841 3.256 . . . . 20.78 115.531 -176.401 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' THR . . . . . 0.492 HG22 ' OH ' ' A' ' 74' ' ' TYR . 7.0 p -76.53 -30.8 57.28 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 112.187 -3.768 . . . . 12.14 106.531 177.969 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.0 mt -72.68 -43.31 63.25 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 126.301 2.251 . . . . 11.21 112.291 179.766 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' MET . . . . . 1.243 ' CE ' ' HD3' ' A' ' 88' ' ' LYS . 11.7 mmm -51.61 -51.38 56.08 Favored 'General case' 0 C--N 1.306 -1.283 0 O-C-N 127.109 2.756 . . . . 19.75 106.166 179.27 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLU . . . . . 0.671 ' HG2' ' CE1' ' A' ' 74' ' ' TYR . 10.2 tt0 -63.32 -46.3 87.32 Favored 'General case' 0 C--O 1.253 1.283 0 CA-C-N 110.105 -3.225 . . . . 20.26 114.928 -179.101 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -65.28 -51.4 61.03 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-O 114.918 -2.467 . . . . 19.48 111.524 179.838 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.4 mt -54.29 -20.04 6.42 Favored 'General case' 0 C--O 1.266 1.958 0 CA-C-O 115.747 -2.073 . . . . 15.54 114.382 -178.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLU . . . . . 0.533 ' OE2' ' NZ ' ' A' ' 86' ' ' LYS . 78.9 tt0 -76.18 -35.5 59.11 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 126.663 2.477 . . . . 22.58 114.911 -176.959 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ASN . . . . . 0.831 ' CG ' ' HG3' ' A' ' 73' ' ' LYS . 0.3 OUTLIER -159.81 86.87 2.02 Favored Pre-proline 0 N--CA 1.491 1.589 0 N-CA-C 101.417 -3.549 . . . . 17.35 101.417 178.187 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 71' ' ' PRO . . . . . 0.707 ' HB2' ' O ' ' A' ' 136' ' ' HOH . 24.1 Cg_exo -57.19 -37.37 98.19 Favored 'Trans proline' 0 C--N 1.307 -1.648 0 N-CA-C 109.477 -1.009 . . . . 14.19 109.477 -178.885 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . 0.266 30.9 mttt -65.23 -21.85 66.8 Favored 'General case' 0 C--O 1.254 1.321 0 O-C-N 120.288 -1.507 . . . . 16.28 111.931 -177.096 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LYS . . . . . 0.831 ' HG3' ' CG ' ' A' ' 70' ' ' ASN . 7.4 tttp -91.05 -30.83 16.55 Favored 'General case' 0 CA--C 1.463 -2.394 0 CA-C-O 114.02 -2.895 . . . . 16.86 106.905 -176.964 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 74' ' ' TYR . . . . . 0.671 ' CE1' ' HG2' ' A' ' 66' ' ' GLU . 9.7 t80 -77.51 -31.68 53.65 Favored 'General case' 0 CA--C 1.504 -0.8 1 O-C-N 129.177 4.048 . . . . 11.95 114.277 179.285 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ILE . . . . . 0.419 ' O ' HG22 ' A' ' 78' ' ' THR . 5.9 mt -139.59 84.73 15.58 Favored Pre-proline 0 C--N 1.286 -2.19 0 C-N-CA 127.77 2.428 . . . . 13.07 104.579 -178.658 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -68.81 141.31 48.84 Favored 'Trans proline' 0 CA--C 1.561 1.872 1 N-CA-C 100.819 -4.339 . . . . 12.64 100.819 179.208 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.01 19.75 69.27 Favored Glycine 0 C--O 1.247 0.95 0 CA-C-N 110.614 -2.994 . . . . 15.78 116.691 -178.448 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' THR . . . . . 0.457 ' HA ' ' O2D' ' A' ' 105' ' ' HEM . 1.8 t -75.49 135.68 40.66 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 130.696 3.598 . . . . 15.44 104.49 -179.037 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 79' ' ' LYS . . . . . 0.639 ' HG2' HG23 ' A' ' 49' ' ' THR 0.265 3.3 pttt -77.24 -12.46 59.95 Favored 'General case' 0 C--N 1.356 0.868 2 CA-C-O 109.318 -5.134 . . . . 17.29 106.552 -178.112 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.9 ttt -62.15 117.94 6.7 Favored 'General case' 0 C--O 1.263 1.809 0 CA-C-N 123.434 2.834 . . . . 16.53 114.88 179.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 23.9 mm -89.22 93.32 4.29 Favored 'Isoleucine or valine' 0 C--O 1.276 2.459 0 C-N-CA 131.588 3.955 . . . . 19.5 109.883 178.739 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -165.43 117.32 1.13 Allowed 'General case' 0 N--CA 1.473 0.691 1 CA-C-O 109.436 -5.078 . . . . 18.66 111.404 -179.338 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.93 -48.33 64.29 Favored 'General case' 0 C--O 1.254 1.339 1 O-C-N 134.355 7.284 . . . . 17.67 118.041 179.998 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 127.6 162.32 11.07 Favored Glycine 0 C--N 1.293 -1.806 0 CA-C-N 124.112 3.142 . . . . 18.78 108.171 178.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' ILE . . . . . 0.812 HD13 HD23 ' A' ' 94' ' ' LEU . 5.4 mt -102.09 107.29 21.4 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.022 0 N-CA-C 103.439 -2.8 . . . . 22.22 103.439 -179.981 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LYS . . . . . 0.533 ' NZ ' ' OE2' ' A' ' 69' ' ' GLU 0.251 0.1 OUTLIER -62.23 -60.37 3.68 Favored 'General case' 0 N--CA 1.485 1.302 1 O-C-N 129.674 4.359 . . . . 25.5 114.856 -179.102 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' A' A ' 87' ' ' LYS . . . . . 0.509 ' HZ2' ' HB3' ' A' ' 87' ' ' LYS . 24.8 mmtp -61.29 134.07 56.56 Favored 'General case' 0 C--N 1.316 -0.878 0 C-N-CA 126.741 2.016 . . . . 25.51 113.036 179.195 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 88' ' ' LYS . . . . . 1.243 ' HD3' ' CE ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -63.75 -36.51 84.1 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 115.461 1.652 . . . . 24.88 115.461 -178.655 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 89' ' ' THR . . . . . 0.495 ' HA ' ' HG3' ' A' ' 92' ' ' GLU 0.353 62.9 p -60.14 -50.64 72.9 Favored 'General case' 0 C--O 1.262 1.75 0 O-C-N 120.448 -1.408 . . . . 24.75 113.349 -175.367 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 90' ' ' GLU . . . . . 0.488 ' CB ' HG21 ' A' ' 85' ' ' ILE . 24.7 mt-10 -50.43 -48.77 56.16 Favored 'General case' 0 C--O 1.245 0.842 0 O-C-N 127.728 3.142 . . . . 27.77 109.286 177.314 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ARG . . . . . 0.593 ' O ' HD12 ' A' ' 95' ' ' ILE . 22.2 mtm180 -63.58 -22.77 67.07 Favored 'General case' 0 C--O 1.25 1.084 0 O-C-N 126.005 2.066 . . . . 21.1 110.415 179.172 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 92' ' ' GLU . . . . . 0.635 ' OE2' ' HE3' ' A' ' 88' ' ' LYS . 0.7 OUTLIER -85.88 -34.88 20.87 Favored 'General case' 0 C--O 1.251 1.168 0 C-N-CA 113.769 -3.172 . . . . 25.61 108.036 -178.196 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ASP . . . . . 0.506 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 72.0 m-20 -57.87 -59.68 4.87 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-N 109.937 -3.301 . . . . 17.24 108.793 179.02 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 94' ' ' LEU . . . . . 0.812 HD23 HD13 ' A' ' 85' ' ' ILE . 7.2 tp -61.02 -32.57 72.16 Favored 'General case' 0 C--O 1.272 2.249 0 CA-C-O 116.464 -1.731 . . . . 14.69 107.546 178.825 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ILE . . . . . 0.593 HD12 ' O ' ' A' ' 91' ' ' ARG . 4.9 mt -74.2 -31.27 28.82 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.053 0 CA-C-N 122.539 2.427 . . . . 12.65 111.172 178.658 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 96' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 93' ' ' ASP . . . -60.9 -44.25 97.41 Favored 'General case' 0 C--N 1.289 -2.049 0 C-N-CA 127.182 2.193 . . . . 13.97 111.349 -179.61 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . 0.293 40.2 t80 -69.06 -42.05 76.78 Favored 'General case' 0 N--CA 1.442 -0.854 1 O-C-N 131.139 5.274 . . . . 17.34 111.523 179.91 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 18.4 mt -74.96 -35.14 62.11 Favored 'General case' 0 C--O 1.262 1.743 0 O-C-N 125.7 1.875 . . . . 19.45 110.544 179.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 40.9 tttp -56.32 -40.15 73.93 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-O 126.577 3.084 . . . . 23.41 112.024 -177.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' LYS . . . . . 1.109 ' HA ' ' O ' ' A' ' 159' ' ' HOH . 16.1 tttm -69.7 -70.21 0.3 Allowed 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 108.412 -3.995 . . . . 28.02 113.379 -179.986 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ALA . . . . . 0.577 ' HB1' ' O ' ' A' ' 167' ' ' HOH . . . -63.4 -20.6 65.68 Favored 'General case' 0 C--O 1.284 2.898 0 N-CA-C 119.687 3.217 . . . . 21.79 119.687 179.81 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 102' ' ' THR . . . . . 0.49 ' HB ' ' O ' ' A' ' 32' ' ' LEU . 20.6 p -96.12 -1.36 48.7 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 121.948 2.158 . . . . 20.3 107.268 -179.018 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . 0.284 18.2 t30 -111.71 -51.46 2.85 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 111.646 -2.525 . . . . 25.36 106.727 178.87 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 104' ' ' GLU . . . . . 0.453 ' HG2' ' HA ' ' A' ' 101' ' ' ALA . 17.8 pt-20 . . . . . 0 C--O 1.268 2.06 0 N-CA-C 105.943 -1.873 . . . . 23.38 105.943 176.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.265 1.869 . . . . . . . . 33.91 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . 75.14 116.52 0.1 OUTLIER Glycine 0 C--N 1.351 1.405 0 N-CA-C 104.54 -3.424 . . . . 32.31 104.54 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' ASP . . . . . 0.523 ' CG ' ' HG3' ' B' ' 5' ' ' LYS . 49.7 t0 -83.09 101.75 11.36 Favored 'General case' 0 C--N 1.309 -1.152 0 N-CA-C 119.723 3.231 . . . . 28.29 119.723 -178.264 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 3' ' ' VAL . . . . . 0.489 HG21 ' HD2' ' B' ' 100' ' ' LYS . 3.4 p -41.43 -26.45 0.11 Allowed 'Isoleucine or valine' 0 C--O 1.262 1.716 1 CA-C-O 110.138 -4.744 . . . . 29.76 115.348 178.051 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLU . . . . . 0.545 ' OE1' ' O ' ' B' ' 155' ' ' HOH . 1.5 tm-20 -105.82 -25.34 12.21 Favored 'General case' 0 C--N 1.306 -1.318 1 CA-C-N 128.648 5.203 . . . . 34.36 107.587 -176.23 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 5' ' ' LYS . . . . . 0.825 ' HE3' ' OD2' ' B' ' 93' ' ' ASP . 37.0 mtmt -58.47 -48.43 80.79 Favored 'General case' 0 C--O 1.25 1.131 0 N-CA-C 103.125 -2.917 . . . . 32.5 103.125 176.589 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -74.18 4.32 33.3 Favored Glycine 0 N--CA 1.437 -1.243 0 C-N-CA 129.23 3.3 . . . . 30.5 109.192 -176.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' LYS . . . . . 0.485 ' HB2' ' HA ' ' B' ' 4' ' ' GLU . 0.0 OUTLIER -87.04 -59.37 2.28 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 104.717 -2.327 . . . . 32.47 104.717 -179.853 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LYS . . . . . 0.532 ' O ' ' HB3' ' B' ' 12' ' ' GLN . 6.0 tttt -47.59 -44.68 26.6 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-N 108.496 -3.956 . . . . 25.77 110.169 178.923 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 4.5 mt -66.83 -23.46 31.08 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.065 0 CA-C-O 122.456 1.122 . . . . 22.78 110.475 -177.489 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' PHE . . . . . 0.56 ' HB2' ' CD1' ' B' ' 94' ' ' LEU . 3.0 t80 -83.52 -41.23 18.2 Favored 'General case' 0 C--O 1.203 -1.369 0 CA-C-O 113.217 -3.277 . . . . 19.1 107.07 -176.785 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 11' ' ' VAL . . . . . 0.679 ' HA ' ' HB2' ' B' ' 15' ' ' ALA . 3.5 m -76.12 -13.07 14.73 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.652 1 O-C-N 130.272 4.733 . . . . 21.74 111.675 -176.637 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 12' ' ' GLN . . . . . 0.559 ' O ' ' HG2' ' B' ' 13' ' ' LYS . 0.0 OUTLIER -105.84 11.42 31.91 Favored 'General case' 0 C--N 1.287 -2.112 1 O-C-N 130.59 4.931 . . . . 24.71 109.544 -179.426 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 13' ' ' LYS . . . . . 0.684 ' HE2' ' CE1' ' B' ' 82' ' ' PHE . 0.7 OUTLIER -165.2 -9.37 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.356 0 O-C-N 117.337 -3.352 . . . . 22.71 113.78 -178.048 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 14' ' ' CYS . . . . . 0.447 ' HB2' ' O ' ' B' ' 10' ' ' PHE . 35.9 m -122.23 -25.8 4.8 Favored 'General case' 0 C--N 1.294 -1.809 0 CA-C-O 123.744 1.735 . . . . 19.58 114.714 -178.888 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 15' ' ' ALA . . . . . 0.679 ' HB2' ' HA ' ' B' ' 11' ' ' VAL . . . -54.75 -41.35 70.34 Favored 'General case' 0 N--CA 1.474 0.757 1 CA-C-N 107.28 -4.509 . . . . 20.21 116.182 -177.509 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -49.25 -51.29 34.41 Favored 'General case' 0 C--O 1.273 2.303 0 CA-C-O 112.056 -3.831 . . . . 23.88 108.98 -178.739 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' CYS . . . . . 0.679 ' HB3' ' HB ' ' B' ' 28' ' ' THR . 1.9 m -110.26 -3.95 15.97 Favored 'General case' 0 C--O 1.28 2.708 1 O-C-N 134.269 7.231 . . . . 19.59 118.274 179.283 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -133.14 149.27 52.09 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 118.509 2.781 . . . . 19.79 118.509 178.393 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 41.4 p -109.52 152.64 25.19 Favored 'General case' 0 C--O 1.25 1.126 0 C-N-CA 128.576 2.75 . . . . 27.72 110.235 176.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' VAL . . . . . 0.605 ' O ' ' HB2' ' B' ' 33' ' ' HIS . 0.1 OUTLIER -129.87 -20.39 1.48 Allowed 'Isoleucine or valine' 0 C--O 1.259 1.6 0 N-CA-C 118.076 2.621 . . . . 33.95 118.076 178.582 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 21' ' ' GLU . . . . . 0.632 ' HG2' ' N ' ' B' ' 22' ' ' LYS . 23.6 tt0 -63.43 152.32 38.59 Favored 'General case' 0 C--O 1.25 1.08 0 N-CA-C 105.164 -2.161 . . . . 40.38 105.164 -179.895 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 22' ' ' LYS . . . . . 0.632 ' N ' ' HG2' ' B' ' 21' ' ' GLU . 0.8 OUTLIER -70.27 157.01 38.48 Favored 'General case' 0 C--N 1.307 -1.265 0 C-N-CA 115.729 -2.388 . . . . 37.81 105.592 179.149 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLY . . . . . 0.443 ' N ' ' HG3' ' B' ' 22' ' ' LYS . . . 85.56 -22.46 10.87 Favored Glycine 0 N--CA 1.48 1.633 0 O-C-N 128.594 3.684 . . . . 36.85 111.071 179.153 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 24' ' ' GLY . . . . . 0.457 ' HA3' ' ND2' ' B' ' 31' ' ' ASN . . . -29.39 142.12 0.01 OUTLIER Glycine 0 C--O 1.249 1.032 0 O-C-N 127.511 2.536 . . . . 35.4 118.019 179.31 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 25' ' ' LYS . . . . . 0.794 ' HB2' ' NZ ' ' B' ' 25' ' ' LYS . 2.7 mtpm? -101.65 113.4 26.52 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 116.237 -2.185 . . . . 35.43 113.861 -178.618 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 26' ' ' HIS . . . . . 0.601 ' HA ' ' O ' ' B' ' 111' ' ' HOH . 97.2 m-70 -38.55 135.28 0.82 Allowed 'General case' 0 C--N 1.3 -1.566 0 O-C-N 126.873 2.608 . . . . 29.85 113.903 177.721 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 27' ' ' LYS . . . . . 0.476 ' O ' ' C ' ' B' ' 28' ' ' THR . 38.7 mtpt -112.24 -147.94 0.42 Allowed 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 101.956 -3.35 . . . . 24.21 101.956 174.178 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 28' ' ' THR . . . . . 0.679 ' HB ' ' HB3' ' B' ' 17' ' ' CYS . 27.0 m -42.7 -37.48 1.75 Allowed 'General case' 0 C--N 1.294 -1.818 0 O-C-N 117.542 -3.224 . . . . 21.83 105.404 178.1 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -113.03 150.55 18.44 Favored Glycine 0 C--N 1.341 0.85 0 N-CA-C 121.683 3.433 . . . . 22.0 121.683 -177.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' PRO . . . . . 0.416 ' HA ' ' ND1' ' B' ' 26' ' ' HIS . 17.1 Cg_endo -60.63 136.86 69.72 Favored 'Trans proline' 0 CA--C 1.506 -0.902 1 CA-C-O 109.783 -4.34 . . . . 24.14 109.885 -177.312 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 31' ' ' ASN . . . . . 0.457 ' ND2' ' HA3' ' B' ' 24' ' ' GLY . 5.1 t-20 -60.72 144.97 51.11 Favored 'General case' 0 N--CA 1.499 1.991 1 O-C-N 133.533 6.771 . . . . 24.78 101.849 178.904 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 32' ' ' LEU . . . . . 0.407 ' HA ' HD23 ' B' ' 32' ' ' LEU . 13.8 mt -92.49 -27.23 17.56 Favored 'General case' 0 C--O 1.269 2.112 0 O-C-N 126.693 2.496 . . . . 25.63 115.609 -178.975 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 33' ' ' HIS . . . . . 0.605 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 51.5 t-80 -46.78 103.95 0.05 OUTLIER 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 115.747 1.758 . . . . 29.98 115.747 -177.651 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.97 19.35 9.13 Favored Glycine 0 C--O 1.242 0.612 0 C-N-CA 129.154 3.264 . . . . 27.03 114.554 179.14 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' LEU . . . . . 0.752 HD12 ' CD1' ' B' ' 59' ' ' TRP . 48.3 tp -52.25 -59.74 4.04 Favored 'General case' 0 C--O 1.261 1.69 0 C-N-CA 126.737 2.015 . . . . 29.45 115.821 -177.481 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 36' ' ' PHE . . . . . 0.907 ' CE2' ' HA ' ' B' ' 99' ' ' LYS . 96.6 m-85 -56.24 127.25 29.88 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 117.334 -1.317 . . . . 32.91 108.597 -177.088 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 37' ' ' GLY . . . . . 0.645 ' O ' ' CG2' ' B' ' 58' ' ' THR . . . 108.69 -49.11 0.88 Allowed Glycine 0 C--O 1.247 0.965 1 O-C-N 130.439 4.837 . . . . 36.8 113.699 -177.089 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 38' ' ' ARG . . . . . 0.426 ' C ' HG22 ' B' ' 58' ' ' THR . 12.0 ttp180 -67.56 137.23 55.56 Favored 'General case' 0 C--O 1.244 0.803 1 C-N-CA 132.309 4.244 . . . . 38.73 119.908 -179.089 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 39' ' ' LYS . . . . . 1.077 ' O ' ' O ' ' B' ' 110' ' ' HOH . 4.2 mttm -70.26 161.05 31.07 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 107.577 -1.268 . . . . 38.01 107.577 178.543 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 40' ' ' THR . . . . . 0.758 HG23 HG12 ' B' ' 57' ' ' ILE . 31.0 p -59.38 142.06 53.1 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 124.281 0.988 . . . . 37.86 113.611 -176.738 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 41' ' ' GLY . . . . . 0.525 ' HA2' ' CE2' ' B' ' 48' ' ' TYR . . . 61.86 61.92 6.25 Favored Glycine 0 C--O 1.263 1.944 0 CA-C-N 113.641 -1.618 . . . . 39.34 116.105 178.937 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 42' ' ' GLN . . . . . 0.495 ' HB2' ' O ' ' B' ' 110' ' ' HOH . 34.3 mt-30 -137.2 18.96 2.96 Favored 'General case' 0 C--O 1.261 1.708 0 CA-C-O 112.801 -3.476 . . . . 40.79 117.031 -178.978 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.27 137.3 93.92 Favored Pre-proline 0 N--CA 1.491 1.578 1 N-CA-C 99.479 -4.267 . . . . 38.75 99.479 178.363 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -68.86 134.17 29.23 Favored 'Trans proline' 0 C--O 1.265 1.831 0 O-C-N 128.192 3.732 . . . . 38.17 105.859 -179.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.27 56.59 5.1 Favored Glycine 0 C--O 1.283 3.158 0 O-C-N 125.233 1.583 . . . . 34.73 116.437 179.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' PHE . . . . . 0.632 ' HB3' ' CE1' ' B' ' 48' ' ' TYR . 73.2 t80 -142.77 138.9 30.78 Favored 'General case' 0 N--CA 1.487 1.389 1 CA-C-O 109.777 -4.916 . . . . 28.73 101.118 -179.064 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 47' ' ' THR . . . . . 0.583 ' O ' ' NZ ' ' B' ' 79' ' ' LYS . 10.2 m -93.35 82.8 4.49 Favored 'General case' 0 N--CA 1.485 1.276 2 O-C-N 132.502 6.126 . . . . 31.21 102.957 -179.434 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 48' ' ' TYR . . . . . 0.632 ' CE1' ' HB3' ' B' ' 46' ' ' PHE . 42.3 m-85 -60.49 -177.31 0.07 Allowed 'General case' 0 C--N 1.301 -1.509 0 O-C-N 128.876 3.86 . . . . 33.16 102.761 179.24 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 49' ' ' THR . . . . . 0.903 HG21 ' O ' ' B' ' 77' ' ' GLY 0.304 0.2 OUTLIER -69.99 -115.49 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.867 2 O-C-N 130.37 4.794 . . . . 34.07 99.03 176.997 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' B' B ' 50' ' ' ASP . . . . . 0.916 ' HA ' ' HG2' ' B' ' 53' ' ' LYS . 2.6 m-20 -167.01 -12.34 0.02 OUTLIER 'General case' 0 C--N 1.287 -2.138 0 N-CA-C 100.504 -3.888 . . . . 39.06 100.504 -176.138 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -97.52 -31.78 12.15 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 100.967 -3.716 . . . . 37.74 100.967 -179.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' ASN . . . . . 0.707 ' ND2' ' O ' ' B' ' 109' ' ' HOH . 9.7 t-20 -91.17 0.14 57.59 Favored 'General case' 0 C--O 1.248 1.003 2 O-C-N 131.227 5.329 . . . . 36.43 102.403 179.345 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 53' ' ' LYS . . . . . 0.916 ' HG2' ' HA ' ' B' ' 50' ' ' ASP 0.254 8.7 ptpt -119.77 12.41 12.15 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 127.555 3.034 . . . . 35.06 105.136 179.181 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 54' ' ' ASN . . . . . 0.666 ' OD1' ' HG3' ' B' ' 53' ' ' LYS . 9.6 m-20 -136.22 18.59 3.18 Favored 'General case' 0 C--O 1.251 1.138 1 O-C-N 132.048 5.843 . . . . 38.05 114.706 -177.422 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -69.38 -36.74 77.1 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 126.068 2.105 . . . . 36.26 107.594 178.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 55.73 70.22 1.03 Allowed Glycine 0 CA--C 1.534 1.255 0 CA-C-N 109.553 -3.476 . . . . 36.78 111.367 179.239 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' ILE . . . . . 0.758 HG12 HG23 ' B' ' 40' ' ' THR . 2.8 pt -154.22 167.36 1.1 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.232 0 O-C-N 128.024 2.838 . . . . 35.3 108.694 -179.744 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 58' ' ' THR . . . . . 0.645 ' CG2' ' O ' ' B' ' 37' ' ' GLY 0.286 0.0 OUTLIER -113.18 139.78 48.48 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 128.151 3.834 . . . . 33.79 111.052 -178.984 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 59' ' ' TRP . . . . . 0.752 ' CD1' HD12 ' B' ' 35' ' ' LEU . 30.6 m95 -79.26 122.4 26.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 111.033 -2.803 . . . . 31.41 105.724 -177.899 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -159.67 161.96 35.01 Favored 'General case' 0 C--O 1.254 1.303 1 O-C-N 133.8 6.938 . . . . 30.3 104.464 178.338 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 61' ' ' GLU . . . . . 0.689 ' HG3' ' HE2' ' B' ' 99' ' ' LYS . 5.5 mp0 -38.4 -28.5 0.02 OUTLIER 'General case' 0 C--N 1.307 -1.256 0 O-C-N 128.11 3.382 . . . . 28.02 111.398 179.676 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . 0.255 40.6 tt0 -89.79 -41.6 11.76 Favored 'General case' 0 C--O 1.251 1.145 0 CA-C-N 123.231 2.741 . . . . 32.96 116.706 -175.508 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 63' ' ' THR . . . . . 0.523 ' CG2' HD12 ' B' ' 57' ' ' ILE . 6.6 p -65.5 -56.23 13.5 Favored 'General case' 0 C--O 1.256 1.41 2 O-C-N 135.505 8.003 . . . . 27.35 102.914 179.256 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 13.7 mt -45.94 -44.53 14.83 Favored 'General case' 0 C--N 1.315 -0.921 0 O-C-N 126.553 2.408 . . . . 24.82 112.708 177.666 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' MET . . . . . 0.793 ' HG2' ' CD1' ' B' ' 95' ' ' ILE . 1.5 mmm -62.83 -31.79 72.88 Favored 'General case' 0 C--N 1.297 -1.691 0 C-N-CA 124.665 1.186 . . . . 25.41 112.181 -178.875 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -74.78 -40.21 61.29 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 118.184 -1.406 . . . . 26.78 108.891 -178.824 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -63.59 -52.15 62.21 Favored 'General case' 0 C--O 1.266 1.925 1 CA-C-O 110.43 -4.605 . . . . 25.48 114.047 -179.061 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 68' ' ' LEU . . . . . 0.586 ' HB2' ' HD3' ' B' ' 91' ' ' ARG . 5.7 mt -59.22 -32.54 70.06 Favored 'General case' 0 CA--C 1.494 -1.175 1 O-C-N 132.569 6.168 . . . . 23.75 115.76 -177.009 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 69' ' ' GLU . . . . . 0.417 ' O ' ' HA3' ' B' ' 84' ' ' GLY . 17.5 tt0 -57.7 -43.12 84.93 Favored 'General case' 0 C--N 1.277 -2.559 0 O-C-N 119.524 -1.985 . . . . 29.95 112.998 -179.131 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -168.47 82.96 0.74 Allowed Pre-proline 0 C--N 1.32 -0.689 0 O-C-N 126.816 2.572 . . . . 25.14 114.993 -178.232 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -46.35 -46.56 16.74 Favored 'Trans proline' 0 C--N 1.296 -2.23 0 C-N-CA 122.969 2.446 . . . . 26.2 116.968 177.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' LYS . . . . . 0.662 ' HE2' ' O ' ' B' ' 159' ' ' HOH 0.352 0.3 OUTLIER -65.68 -31.63 72.75 Favored 'General case' 0 C--O 1.258 1.541 0 CA-C-N 122.958 2.617 . . . . 28.14 112.007 -178.119 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 73' ' ' LYS . . . . . 0.427 ' HE2' ' O ' ' B' ' 73' ' ' LYS . 0.0 OUTLIER -74.12 -22.94 59.26 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-O 125.093 2.378 . . . . 30.62 106.754 177.622 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -81.2 -72.57 0.42 Allowed 'General case' 0 CA--C 1.507 -0.711 0 CA-C-O 115.181 -2.342 . . . . 30.92 106.299 179.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' ILE . . . . . 0.455 ' O ' ' HB ' ' B' ' 78' ' ' THR . 34.6 mt -112.22 67.19 0.84 Allowed Pre-proline 0 C--N 1.298 -1.662 0 N-CA-C 117.977 2.584 . . . . 29.16 117.977 -179.466 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 76' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -46.45 138.38 13.98 Favored 'Trans proline' 0 C--O 1.273 2.246 0 C-N-CA 123.458 2.772 . . . . 29.46 108.588 178.15 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' GLY . . . . . 0.903 ' O ' HG21 ' B' ' 49' ' ' THR . . . 97.24 4.22 58.55 Favored Glycine 0 N--CA 1.482 1.728 0 CA-C-O 124.792 2.329 . . . . 26.84 108.632 -178.898 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 78' ' ' THR . . . . . 0.455 ' HB ' ' O ' ' B' ' 75' ' ' ILE . 0.9 OUTLIER -88.48 144.64 26.22 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 114.067 -2.873 . . . . 23.69 110.021 -179.597 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 79' ' ' LYS . . . . . 0.583 ' NZ ' ' O ' ' B' ' 47' ' ' THR . 1.2 ptmt -90.48 22.78 3.26 Favored 'General case' 0 C--N 1.28 -2.416 0 CA-C-O 127.788 3.661 . . . . 21.14 113.087 177.032 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 80' ' ' MET . . . . . 0.566 ' HE3' ' CHC' ' B' ' 105' ' ' HEM . 2.2 ttt -100.7 100.03 10.66 Favored 'General case' 0 N--CA 1.49 1.572 1 N-CA-C 95.568 -5.715 . . . . 18.88 95.568 178.56 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . 0.254 3.0 mm -92.69 90.38 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 1 O-C-N 129.892 4.495 . . . . 18.06 103.843 -179.977 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' B' B ' 82' ' ' PHE . . . . . 0.684 ' CE1' ' HE2' ' B' ' 13' ' ' LYS . 88.8 t80 -144.76 136.75 25.91 Favored 'General case' 0 N--CA 1.499 2.0 1 CA-C-O 111.624 -4.036 . . . . 22.88 106.433 -178.974 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.52 -30.13 64.21 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-N 125.17 3.623 . . . . 21.28 120.673 179.853 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' GLY . . . . . 0.417 ' HA3' ' O ' ' B' ' 69' ' ' GLU . . . 124.93 179.2 15.62 Favored Glycine 0 N--CA 1.504 3.205 0 O-C-N 116.959 -3.588 . . . . 24.36 111.352 -177.475 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 85' ' ' ILE . . . . . 0.421 ' HB ' ' HG3' ' B' ' 91' ' ' ARG . 71.0 mt -117.91 83.29 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.037 0 N-CA-C 103.269 -2.863 . . . . 25.31 103.269 177.91 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 86' ' ' LYS . . . . . 0.695 ' HE3' ' O ' ' B' ' 153' ' ' HOH 0.284 0.0 OUTLIER -51.81 -30.96 25.4 Favored 'General case' 0 C--O 1.282 2.809 1 CA-C-O 111.358 -4.163 . . . . 28.29 114.687 -176.95 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -84.01 124.01 30.61 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 123.962 3.074 . . . . 30.69 117.943 -178.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . 0.27 5.1 tptp -42.58 -53.77 4.25 Favored 'General case' 0 C--O 1.265 1.884 1 CA-C-O 134.226 6.727 . . . . 27.19 115.027 178.584 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' B' B ' 89' ' ' THR . . . . . 0.746 ' HB ' ' O ' ' B' ' 157' ' ' HOH 0.397 0.0 OUTLIER -61.28 -27.43 68.46 Favored 'General case' 0 CA--C 1.489 -1.366 1 O-C-N 114.282 -5.261 . . . . 23.91 114.083 -177.496 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -86.25 -42.04 14.1 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 106.217 -1.771 . . . . 25.73 106.217 -178.957 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 91' ' ' ARG . . . . . 0.586 ' HD3' ' HB2' ' B' ' 68' ' ' LEU . 20.3 mtm180 -66.79 -40.02 87.99 Favored 'General case' 0 N--CA 1.479 1.012 1 O-C-N 132.787 6.304 . . . . 19.57 107.058 176.756 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -59.61 -44.74 93.32 Favored 'General case' 0 C--O 1.25 1.125 0 CA-C-O 114.709 -2.567 . . . . 24.03 110.81 179.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 93' ' ' ASP . . . . . 0.825 ' OD2' ' HE3' ' B' ' 5' ' ' LYS . 25.1 m-20 -64.8 -39.66 93.95 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 121.458 1.936 . . . . 23.03 113.534 179.438 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 94' ' ' LEU . . . . . 0.56 ' CD1' ' HB2' ' B' ' 10' ' ' PHE . 19.2 tp -67.14 -42.12 84.93 Favored 'General case' 0 C--O 1.253 1.268 0 CA-C-O 116.161 -1.876 . . . . 20.03 111.057 -178.148 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 95' ' ' ILE . . . . . 0.793 ' CD1' ' HG2' ' B' ' 65' ' ' MET . 54.0 mt -61.46 -35.48 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 1 O-C-N 129.894 4.496 . . . . 19.03 114.84 179.819 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.04 -59.89 4.41 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 103.63 -2.73 . . . . 18.17 103.63 -179.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -48.34 -44.19 34.02 Favored 'General case' 0 N--CA 1.5 2.047 1 O-C-N 129.257 4.098 . . . . 23.13 111.219 179.503 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 98' ' ' LEU . . . . . 0.458 ' HA ' HD23 ' B' ' 98' ' ' LEU . 33.8 mt -54.59 -63.44 1.15 Allowed 'General case' 0 CA--C 1.501 -0.926 0 O-C-N 126.683 2.49 . . . . 17.76 109.354 -179.752 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 99' ' ' LYS . . . . . 0.907 ' HA ' ' CE2' ' B' ' 36' ' ' PHE . 6.8 ttmt -41.43 -48.0 3.72 Favored 'General case' 0 C--N 1.291 -1.942 0 C-N-CA 130.728 3.611 . . . . 21.78 109.967 -179.595 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 100' ' ' LYS . . . . . 0.711 ' O ' ' N ' ' B' ' 103' ' ' ASN . 0.1 OUTLIER -69.73 -104.33 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 100.567 -3.864 . . . . 20.91 100.567 179.067 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 101' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' B' ' 100' ' ' LYS . . . -22.57 -46.42 0.01 OUTLIER 'General case' 0 C--O 1.261 1.682 1 CA-C-O 111.257 -4.211 . . . . 26.44 111.265 -177.342 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 102' ' ' THR . . . . . 0.479 ' N ' ' O ' ' B' ' 100' ' ' LYS . 45.9 p -71.53 10.14 0.7 Allowed 'General case' 0 N--CA 1.483 1.189 0 CA-C-O 112.341 -3.695 . . . . 30.78 111.227 179.551 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 103' ' ' ASN . . . . . 0.711 ' N ' ' O ' ' B' ' 100' ' ' LYS . 31.3 m-20 -119.73 -0.98 10.63 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 126.34 2.275 . . . . 36.77 116.153 -177.967 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 104' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' B' ' 104' ' ' GLU 0.41 4.1 pt-20 . . . . . 0 C--O 1.269 2.099 0 C-N-CA 128.492 2.717 . . . . 43.24 114.238 -179.408 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HEM . . . . . 0.72 ' O2D' ' OG1' ' A' ' 49' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 105' ' ' HEM . . . . . 0.566 ' CHC' ' HE3' ' B' ' 80' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . 0.604 ' O ' ' HB2' ' A' ' 42' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . 0.536 ' O ' ' CA ' ' A' ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 128' ' ' HOH . . . . . 0.495 ' O ' ' HD2' ' A' ' 44' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 135' ' ' HOH . . . . . 0.417 ' O ' ' H1 ' ' A' ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 136' ' ' HOH . . . . . 0.707 ' O ' ' HB2' ' A' ' 71' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 139' ' ' HOH . . . . . 0.532 ' O ' HG22 ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 144' ' ' HOH . . . . . 0.417 ' O ' ' HG2' ' A' ' 25' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 151' ' ' HOH . . . . . 0.418 ' O ' ' HA ' ' A' ' 38' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 152' ' ' HOH . . . . . 0.409 ' O ' ' HD2' ' A' ' 79' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 159' ' ' HOH . . . . . 1.109 ' O ' ' HA ' ' A' ' 100' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 164' ' ' HOH . . . . . 1.029 ' O ' ' HE2' ' A' ' 39' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 167' ' ' HOH . . . . . 0.577 ' O ' ' HB1' ' A' ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 170' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 171' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 109' ' ' HOH . . . . . 0.707 ' O ' ' ND2' ' B' ' 52' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 110' ' ' HOH . . . . . 1.077 ' O ' ' O ' ' B' ' 39' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 111' ' ' HOH . . . . . 0.601 ' O ' ' HA ' ' B' ' 26' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 123' ' ' HOH . . . . . 0.506 ' O ' ' O ' ' B' ' 40' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 124' ' ' HOH . . . . . 0.594 ' O ' ' HG3' ' B' ' 21' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 133' ' ' HOH . . . . . 0.469 ' O ' ' HE3' ' B' ' 79' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 148' ' ' HOH . . . . . 0.508 ' O ' ' NZ ' ' B' ' 39' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 153' ' ' HOH . . . . . 0.695 ' O ' ' HE3' ' B' ' 86' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 155' ' ' HOH . . . . . 0.545 ' O ' ' OE1' ' B' ' 4' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 157' ' ' HOH . . . . . 0.746 ' O ' ' HB ' ' B' ' 89' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 159' ' ' HOH . . . . . 0.662 ' O ' ' HE2' ' B' ' 72' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.417 ' H1 ' ' O ' ' A' ' 135' ' ' HOH . . . . . . . . 0 C--O 1.245 0.866 . . . . . . . . 18.66 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 74.54 50.38 9.72 Favored Glycine 0 C--N 1.367 2.289 1 CA-C-O 112.946 -4.252 . . . . 19.3 107.134 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -90.41 103.33 16.03 Favored 'General case' 0 CA--C 1.552 1.047 0 O-C-N 129.481 3.695 . . . . 22.47 101.249 179.064 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.613 HG11 ' HD2' ' A' ' 100' ' ' LYS . 13.2 t -65.21 -25.86 38.34 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 1 C-N-CA 132.062 4.145 . . . . 27.95 108.901 -179.335 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLU . . . . . 1.015 ' O ' ' HE2' ' A' ' 8' ' ' LYS . 30.5 tt0 -83.4 -18.35 39.06 Favored 'General case' 0 C--O 1.26 1.629 0 C-N-CA 130.617 3.567 . . . . 36.8 112.35 -179.277 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -103.55 -28.25 11.86 Favored 'General case' 0 C--O 1.256 1.429 0 CA-C-O 126.079 2.847 . . . . 30.32 106.704 176.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.09 -58.97 11.34 Favored Glycine 0 CA--C 1.548 2.13 1 N-CA-C 101.952 -4.459 . . . . 27.39 101.952 177.587 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.618 ' O ' HG13 ' A' ' 11' ' ' VAL . 67.5 tttt -45.94 -36.88 5.83 Favored 'General case' 0 C--O 1.246 0.889 0 O-C-N 127.498 2.528 . . . . 30.23 112.642 179.178 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . 1.015 ' HE2' ' O ' ' A' ' 4' ' ' GLU . 18.9 mmtt -69.26 -33.97 74.06 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 123.86 1.79 . . . . 30.07 114.754 -179.222 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.425 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 28.7 mt -71.3 -39.25 72.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 112.26 -2.245 . . . . 23.92 108.097 -179.404 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -60.83 -54.12 49.01 Favored 'General case' 0 C--N 1.288 -2.066 0 CA-C-N 112.072 -2.331 . . . . 21.55 108.489 179.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.618 HG13 ' O ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -68.48 -43.41 83.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-O 114.164 -2.827 . . . . 20.22 110.627 -175.962 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.513 ' N ' ' CG2' ' A' ' 11' ' ' VAL . 95.6 mm-40 -68.77 -29.08 67.38 Favored 'General case' 0 C--N 1.319 -0.718 1 O-C-N 134.357 7.286 . . . . 29.05 113.352 -179.567 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 59.2 mttt -125.2 -7.2 7.08 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 121.379 3.844 . . . . 19.3 121.379 -175.563 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.5 m -127.98 -31.94 2.34 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 116.26 1.948 . . . . 15.78 116.26 179.025 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . 0.387 . . -50.49 -33.11 20.14 Favored 'General case' 0 N--CA 1.51 2.562 0 O-C-N 128.04 3.338 . . . . 16.41 110.774 -175.995 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.404 ' O ' ' HD2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -47.83 -50.57 25.73 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 116.959 -3.588 . . . . 21.09 113.488 178.338 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.447 ' HB3' ' H ' ' A' ' 29' ' ' GLY . 4.4 m -104.11 -1.07 27.85 Favored 'General case' 0 CA--C 1.483 -1.6 0 CA-C-O 113.417 -3.183 . . . . 12.7 113.533 -178.778 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.61 ' ND1' ' O ' ' A' ' 30' ' ' PRO 0.326 91.0 m-70 -139.23 145.89 39.79 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 121.701 3.963 . . . . 9.45 121.701 -178.269 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' THR . . . . . 0.505 ' O ' ' HA ' ' A' ' 31' ' ' ASN . 15.5 p -121.27 133.14 55.13 Favored 'General case' 0 N--CA 1.423 -1.786 1 O-C-N 131.582 5.551 . . . . 13.99 108.387 177.253 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.56 HG21 ' O ' ' A' ' 167' ' ' HOH . 3.9 m -109.81 -6.88 11.27 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.354 0 CA-C-N 109.202 -3.635 . . . . 15.92 113.091 -179.254 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . 0.254 56.9 mp0 -85.07 158.95 20.29 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 123.108 2.686 . . . . 16.81 111.954 -178.727 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.46 ' HZ2' ' HG2' ' A' ' 22' ' ' LYS . 19.5 tttm -70.74 130.73 42.48 Favored 'General case' 0 C--O 1.269 2.124 1 O-C-N 130.371 4.794 . . . . 20.07 107.46 178.645 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.32 -7.24 64.87 Favored Glycine 0 N--CA 1.483 1.798 0 O-C-N 126.3 2.25 . . . . 16.78 108.456 -179.44 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.59 156.11 13.12 Favored Glycine 0 N--CA 1.505 3.257 2 N-CA-C 102.454 -4.258 . . . . 16.34 102.454 -179.665 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 144' ' ' HOH . 24.2 mttt -97.98 158.13 15.71 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 128.704 2.802 . . . . 27.43 117.553 -179.579 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.41 ' NE2' ' O ' ' A' ' 44' ' ' PRO . 26.7 m-70 -81.6 140.18 34.6 Favored 'General case' 0 N--CA 1.474 0.746 1 N-CA-C 100.172 -4.01 . . . . 15.77 100.172 -179.852 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.404 ' HD2' ' O ' ' A' ' 16' ' ' GLN . 55.1 mttt -115.53 -142.25 0.38 Allowed 'General case' 0 C--N 1.277 -2.561 1 C-N-CA 132.007 4.123 . . . . 17.33 100.37 178.082 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' THR . . . . . 0.404 ' HB ' ' HB3' ' A' ' 17' ' ' CYS . 28.1 m -56.76 -55.02 39.61 Favored 'General case' 0 C--O 1.264 1.847 0 CA-C-O 127.325 3.441 . . . . 17.09 107.081 175.906 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.447 ' H ' ' HB3' ' A' ' 17' ' ' CYS . . . -92.87 149.21 19.41 Favored Glycine 0 C--N 1.354 1.576 0 CA-C-N 111.159 -2.746 . . . . 15.89 109.935 177.524 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.61 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 68.9 Cg_endo -63.22 170.46 7.78 Favored 'Trans proline' 0 N--CA 1.443 -1.465 0 C-N-CA 124.083 3.188 . . . . 13.06 117.209 179.848 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.505 ' HA ' ' O ' ' A' ' 19' ' ' THR . 12.1 t-20 -85.34 136.1 33.62 Favored 'General case' 0 C--O 1.249 1.049 0 CA-C-N 111.258 -2.701 . . . . 11.92 104.396 178.903 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.49 ' O ' ' HB ' ' A' ' 102' ' ' THR . 19.2 mt -97.65 18.14 16.25 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 120.21 3.411 . . . . 11.43 120.21 -176.964 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 52.8 t60 -77.77 133.25 38.29 Favored 'General case' 0 C--O 1.253 1.273 0 CA-C-O 124.476 2.084 . . . . 12.07 108.215 -178.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.4 20.02 70.24 Favored Glycine 0 C--O 1.267 2.189 0 CA-C-O 115.332 -2.927 . . . . 10.97 110.122 -177.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 42.8 tp -54.5 -66.49 0.39 Allowed 'General case' 0 C--N 1.297 -1.714 0 O-C-N 128.192 2.937 . . . . 9.94 111.482 179.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -51.22 104.54 0.08 Allowed 'General case' 0 C--N 1.308 -1.206 0 O-C-N 127.906 3.253 . . . . 10.28 117.483 178.349 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.39 1.0 29.54 Favored Glycine 0 C--N 1.294 -1.777 1 CA-C-O 111.77 -4.906 . . . . 13.45 111.464 176.66 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.486 ' HG2' ' HG3' ' A' ' 42' ' ' GLN 0.36 33.4 ttp180 -118.1 157.42 26.92 Favored 'General case' 0 C--N 1.302 -1.479 1 O-C-N 130.957 4.563 . . . . 16.76 108.156 -178.86 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LYS . . . . . 1.029 ' HE2' ' O ' ' A' ' 164' ' ' HOH . 5.5 mmmm -70.92 168.08 17.68 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-O 112.792 -3.48 . . . . 17.6 110.87 -179.803 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' THR . . . . . 0.73 HG22 ' CZ2' ' A' ' 59' ' ' TRP . 66.9 p -73.3 156.72 38.15 Favored 'General case' 0 C--N 1.311 -1.107 1 O-C-N 131.523 5.514 . . . . 13.8 109.512 -178.363 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 63.25 24.54 67.44 Favored Glycine 0 N--CA 1.44 -1.069 0 N-CA-C 122.975 3.95 . . . . 14.71 122.975 177.525 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.604 ' HB2' ' O ' ' A' ' 107' ' ' HOH . 10.5 mm100 -89.92 -22.53 21.94 Favored 'General case' 0 C--O 1.274 2.378 0 C-N-CA 130.143 3.377 . . . . 21.25 119.438 -179.712 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.479 ' HB3' ' OH ' ' A' ' 48' ' ' TYR . . . -55.87 127.83 69.1 Favored Pre-proline 0 N--CA 1.489 1.51 0 CA-C-N 121.834 2.106 . . . . 18.32 107.583 179.106 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.495 ' HD2' ' O ' ' A' ' 128' ' ' HOH . 11.9 Cg_exo -76.69 144.59 25.06 Favored 'Trans proline' 0 C--N 1.316 -1.183 1 C-N-CA 125.832 4.355 . . . . 19.66 107.104 179.519 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.536 ' CA ' ' O ' ' A' ' 118' ' ' HOH . . . 79.57 -14.93 15.22 Favored Glycine 0 C--O 1.265 2.05 2 CA-C-O 110.14 -5.811 . . . . 17.2 110.202 179.766 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.535 ' CZ ' ' HD3' ' A' ' 30' ' ' PRO . 63.3 t80 -84.05 158.29 21.5 Favored 'General case' 0 C--O 1.262 1.747 0 CA-C-N 122.421 3.11 . . . . 14.1 111.156 -179.954 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' THR . . . . . 0.603 ' O ' ' NZ ' ' A' ' 79' ' ' LYS 0.303 1.5 m -113.04 94.36 4.86 Favored 'General case' 0 N--CA 1.496 1.828 0 CA-C-O 125.383 2.516 . . . . 15.98 111.948 179.246 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.479 ' OH ' ' HB3' ' A' ' 43' ' ' ALA . 71.8 m-85 -73.35 153.42 40.51 Favored 'General case' 0 N--CA 1.499 2.001 1 CA-C-N 106.976 -4.647 . . . . 13.84 114.484 -179.201 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' THR . . . . . 0.72 ' OG1' ' O2D' ' A' ' 105' ' ' HEM . 1.0 OUTLIER -68.36 166.12 17.29 Favored 'General case' 0 C--O 1.273 2.323 2 CA-C-O 108.979 -5.296 . . . . 13.49 100.197 175.856 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.432 ' OD1' ' NZ ' ' A' ' 53' ' ' LYS . 65.4 m-20 -73.59 -27.66 61.42 Favored 'General case' 0 N--CA 1.508 2.458 1 CA-C-N 127.981 4.9 . . . . 14.93 109.242 -179.391 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.73 -69.97 0.1 Allowed 'General case' 0 C--N 1.29 -2.006 2 C-N-CA 134.165 4.986 . . . . 13.4 107.0 176.358 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.431 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 0.2 OUTLIER -48.21 -32.01 6.56 Favored 'General case' 0 C--O 1.255 1.384 0 CA-C-O 116.143 -1.884 . . . . 11.54 110.277 179.378 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.432 ' NZ ' ' OD1' ' A' ' 50' ' ' ASP 0.32 2.9 mtmp? -77.47 -43.79 31.11 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-O 112.791 -3.481 . . . . 11.22 111.405 -179.566 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.552 ' O ' ' C ' ' A' ' 55' ' ' LYS . 24.4 m120 -84.5 -15.14 46.99 Favored 'General case' 0 C--O 1.263 1.813 1 O-C-N 131.717 5.636 . . . . 13.36 111.725 -177.814 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.552 ' C ' ' O ' ' A' ' 54' ' ' ASN . 13.9 tptt -42.84 -40.15 2.78 Favored 'General case' 0 C--O 1.25 1.088 0 C-N-CA 115.225 -2.59 . . . . 11.92 108.416 179.144 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.456 ' HA2' ' O ' ' A' ' 164' ' ' HOH . . . 61.93 12.5 36.27 Favored Glycine 0 N--CA 1.43 -1.76 0 O-C-N 117.865 -3.022 . . . . 14.77 119.731 -179.828 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.553 HD12 ' C ' ' A' ' 57' ' ' ILE . 2.7 pp -89.58 171.69 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.257 0 O-C-N 116.734 -3.803 . . . . 15.83 108.484 179.567 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 54.3 m -106.57 132.4 52.62 Favored 'General case' 0 C--O 1.27 2.144 1 O-C-N 129.316 4.135 . . . . 17.05 107.798 -179.929 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.73 ' CZ2' HG22 ' A' ' 40' ' ' THR . 88.1 m95 -77.26 136.85 38.54 Favored 'General case' 0 C--O 1.206 -1.186 0 O-C-N 124.615 1.197 . . . . 14.1 108.622 178.272 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -178.55 171.2 1.57 Allowed 'General case' 0 C--O 1.265 1.891 1 N-CA-C 98.761 -4.533 . . . . 18.67 98.761 -178.323 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.515 ' HG3' HG21 ' A' ' 95' ' ' ILE . 10.9 mp0 -46.53 -43.35 16.88 Favored 'General case' 0 C--O 1.216 -0.666 0 N-CA-C 119.654 3.205 . . . . 19.18 119.654 -175.115 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -62.97 -44.95 94.63 Favored 'General case' 0 C--N 1.311 -1.077 0 C-N-CA 129.841 3.256 . . . . 20.78 115.531 -176.401 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' THR . . . . . 0.492 HG22 ' OH ' ' A' ' 74' ' ' TYR . 7.0 p -76.53 -30.8 57.28 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 112.187 -3.768 . . . . 12.14 106.531 177.969 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.0 mt -72.68 -43.31 63.25 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 126.301 2.251 . . . . 11.21 112.291 179.766 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' MET . . . . . 1.243 ' CE ' ' HD3' ' A' ' 88' ' ' LYS . 11.7 mmm -51.61 -51.38 56.08 Favored 'General case' 0 C--N 1.306 -1.283 0 O-C-N 127.109 2.756 . . . . 19.75 106.166 179.27 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.671 ' HG2' ' CE1' ' A' ' 74' ' ' TYR . 10.2 tt0 -63.32 -46.3 87.32 Favored 'General case' 0 C--O 1.253 1.283 0 CA-C-N 110.105 -3.225 . . . . 20.26 114.928 -179.101 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -65.28 -51.4 61.03 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-O 114.918 -2.467 . . . . 19.48 111.524 179.838 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.4 mt -54.29 -20.04 6.42 Favored 'General case' 0 C--O 1.266 1.958 0 CA-C-O 115.747 -2.073 . . . . 15.54 114.382 -178.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.533 ' OE2' ' NZ ' ' A' ' 86' ' ' LYS . 78.9 tt0 -76.18 -35.5 59.11 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 126.663 2.477 . . . . 22.58 114.911 -176.959 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.831 ' CG ' ' HG3' ' A' ' 73' ' ' LYS . 0.3 OUTLIER -159.81 86.87 2.02 Favored Pre-proline 0 N--CA 1.491 1.589 0 N-CA-C 101.417 -3.549 . . . . 17.35 101.417 178.187 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.707 ' HB2' ' O ' ' A' ' 136' ' ' HOH . 24.1 Cg_exo -57.19 -37.37 98.19 Favored 'Trans proline' 0 C--N 1.307 -1.648 0 N-CA-C 109.477 -1.009 . . . . 14.19 109.477 -178.885 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . 0.266 30.9 mttt -65.23 -21.85 66.8 Favored 'General case' 0 C--O 1.254 1.321 0 O-C-N 120.288 -1.507 . . . . 16.28 111.931 -177.096 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.831 ' HG3' ' CG ' ' A' ' 70' ' ' ASN . 7.4 tttp -91.05 -30.83 16.55 Favored 'General case' 0 CA--C 1.463 -2.394 0 CA-C-O 114.02 -2.895 . . . . 16.86 106.905 -176.964 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.671 ' CE1' ' HG2' ' A' ' 66' ' ' GLU . 9.7 t80 -77.51 -31.68 53.65 Favored 'General case' 0 CA--C 1.504 -0.8 1 O-C-N 129.177 4.048 . . . . 11.95 114.277 179.285 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.419 ' O ' HG22 ' A' ' 78' ' ' THR . 5.9 mt -139.59 84.73 15.58 Favored Pre-proline 0 C--N 1.286 -2.19 0 C-N-CA 127.77 2.428 . . . . 13.07 104.579 -178.658 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -68.81 141.31 48.84 Favored 'Trans proline' 0 CA--C 1.561 1.872 1 N-CA-C 100.819 -4.339 . . . . 12.64 100.819 179.208 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.01 19.75 69.27 Favored Glycine 0 C--O 1.247 0.95 0 CA-C-N 110.614 -2.994 . . . . 15.78 116.691 -178.448 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' THR . . . . . 0.457 ' HA ' ' O2D' ' A' ' 105' ' ' HEM . 1.8 t -75.49 135.68 40.66 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 130.696 3.598 . . . . 15.44 104.49 -179.037 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.639 ' HG2' HG23 ' A' ' 49' ' ' THR 0.265 3.3 pttt -77.24 -12.46 59.95 Favored 'General case' 0 C--N 1.356 0.868 2 CA-C-O 109.318 -5.134 . . . . 17.29 106.552 -178.112 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.9 ttt -62.15 117.94 6.7 Favored 'General case' 0 C--O 1.263 1.809 0 CA-C-N 123.434 2.834 . . . . 16.53 114.88 179.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 23.9 mm -89.22 93.32 4.29 Favored 'Isoleucine or valine' 0 C--O 1.276 2.459 0 C-N-CA 131.588 3.955 . . . . 19.5 109.883 178.739 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -165.43 117.32 1.13 Allowed 'General case' 0 N--CA 1.473 0.691 1 CA-C-O 109.436 -5.078 . . . . 18.66 111.404 -179.338 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.93 -48.33 64.29 Favored 'General case' 0 C--O 1.254 1.339 1 O-C-N 134.355 7.284 . . . . 17.67 118.041 179.998 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 127.6 162.32 11.07 Favored Glycine 0 C--N 1.293 -1.806 0 CA-C-N 124.112 3.142 . . . . 18.78 108.171 178.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.812 HD13 HD23 ' A' ' 94' ' ' LEU . 5.4 mt -102.09 107.29 21.4 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.022 0 N-CA-C 103.439 -2.8 . . . . 22.22 103.439 -179.981 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.533 ' NZ ' ' OE2' ' A' ' 69' ' ' GLU 0.251 0.1 OUTLIER -62.23 -60.37 3.68 Favored 'General case' 0 N--CA 1.485 1.302 1 O-C-N 129.674 4.359 . . . . 25.5 114.856 -179.102 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.509 ' HZ2' ' HB3' ' A' ' 87' ' ' LYS . 24.8 mmtp -61.29 134.07 56.56 Favored 'General case' 0 C--N 1.316 -0.878 0 C-N-CA 126.741 2.016 . . . . 25.51 113.036 179.195 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' LYS . . . . . 1.243 ' HD3' ' CE ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -63.75 -36.51 84.1 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 115.461 1.652 . . . . 24.88 115.461 -178.655 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' THR . . . . . 0.495 ' HA ' ' HG3' ' A' ' 92' ' ' GLU 0.353 62.9 p -60.14 -50.64 72.9 Favored 'General case' 0 C--O 1.262 1.75 0 O-C-N 120.448 -1.408 . . . . 24.75 113.349 -175.367 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.488 ' CB ' HG21 ' A' ' 85' ' ' ILE . 24.7 mt-10 -50.43 -48.77 56.16 Favored 'General case' 0 C--O 1.245 0.842 0 O-C-N 127.728 3.142 . . . . 27.77 109.286 177.314 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.593 ' O ' HD12 ' A' ' 95' ' ' ILE . 22.2 mtm180 -63.58 -22.77 67.07 Favored 'General case' 0 C--O 1.25 1.084 0 O-C-N 126.005 2.066 . . . . 21.1 110.415 179.172 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.635 ' OE2' ' HE3' ' A' ' 88' ' ' LYS . 0.7 OUTLIER -85.88 -34.88 20.87 Favored 'General case' 0 C--O 1.251 1.168 0 C-N-CA 113.769 -3.172 . . . . 25.61 108.036 -178.196 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.506 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 72.0 m-20 -57.87 -59.68 4.87 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-N 109.937 -3.301 . . . . 17.24 108.793 179.02 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.812 HD23 HD13 ' A' ' 85' ' ' ILE . 7.2 tp -61.02 -32.57 72.16 Favored 'General case' 0 C--O 1.272 2.249 0 CA-C-O 116.464 -1.731 . . . . 14.69 107.546 178.825 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.593 HD12 ' O ' ' A' ' 91' ' ' ARG . 4.9 mt -74.2 -31.27 28.82 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.053 0 CA-C-N 122.539 2.427 . . . . 12.65 111.172 178.658 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 93' ' ' ASP . . . -60.9 -44.25 97.41 Favored 'General case' 0 C--N 1.289 -2.049 0 C-N-CA 127.182 2.193 . . . . 13.97 111.349 -179.61 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . 0.293 40.2 t80 -69.06 -42.05 76.78 Favored 'General case' 0 N--CA 1.442 -0.854 1 O-C-N 131.139 5.274 . . . . 17.34 111.523 179.91 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 18.4 mt -74.96 -35.14 62.11 Favored 'General case' 0 C--O 1.262 1.743 0 O-C-N 125.7 1.875 . . . . 19.45 110.544 179.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 40.9 tttp -56.32 -40.15 73.93 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-O 126.577 3.084 . . . . 23.41 112.024 -177.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' LYS . . . . . 1.109 ' HA ' ' O ' ' A' ' 159' ' ' HOH . 16.1 tttm -69.7 -70.21 0.3 Allowed 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 108.412 -3.995 . . . . 28.02 113.379 -179.986 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.577 ' HB1' ' O ' ' A' ' 167' ' ' HOH . . . -63.4 -20.6 65.68 Favored 'General case' 0 C--O 1.284 2.898 0 N-CA-C 119.687 3.217 . . . . 21.79 119.687 179.81 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' THR . . . . . 0.49 ' HB ' ' O ' ' A' ' 32' ' ' LEU . 20.6 p -96.12 -1.36 48.7 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 121.948 2.158 . . . . 20.3 107.268 -179.018 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . 0.284 18.2 t30 -111.71 -51.46 2.85 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 111.646 -2.525 . . . . 25.36 106.727 178.87 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.453 ' HG2' ' HA ' ' A' ' 101' ' ' ALA . 17.8 pt-20 . . . . . 0 C--O 1.268 2.06 0 N-CA-C 105.943 -1.873 . . . . 23.38 105.943 176.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.265 1.869 . . . . . . . . 33.91 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . 75.14 116.52 0.1 OUTLIER Glycine 0 C--N 1.351 1.405 0 N-CA-C 104.54 -3.424 . . . . 32.31 104.54 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' ASP . . . . . 0.523 ' CG ' ' HG3' ' B' ' 5' ' ' LYS . 49.7 t0 -83.09 101.75 11.36 Favored 'General case' 0 C--N 1.309 -1.152 0 N-CA-C 119.723 3.231 . . . . 28.29 119.723 -178.264 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' VAL . . . . . 0.489 HG21 ' HD2' ' B' ' 100' ' ' LYS . 3.4 p -41.43 -26.45 0.11 Allowed 'Isoleucine or valine' 0 C--O 1.262 1.716 1 CA-C-O 110.138 -4.744 . . . . 29.76 115.348 178.051 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.545 ' OE1' ' O ' ' B' ' 155' ' ' HOH . 1.5 tm-20 -105.82 -25.34 12.21 Favored 'General case' 0 C--N 1.306 -1.318 1 CA-C-N 128.648 5.203 . . . . 34.36 107.587 -176.23 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.825 ' HE3' ' OD2' ' B' ' 93' ' ' ASP . 37.0 mtmt -58.47 -48.43 80.79 Favored 'General case' 0 C--O 1.25 1.131 0 N-CA-C 103.125 -2.917 . . . . 32.5 103.125 176.589 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -74.18 4.32 33.3 Favored Glycine 0 N--CA 1.437 -1.243 0 C-N-CA 129.23 3.3 . . . . 30.5 109.192 -176.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.485 ' HB2' ' HA ' ' B' ' 4' ' ' GLU . 0.0 OUTLIER -87.04 -59.37 2.28 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 104.717 -2.327 . . . . 32.47 104.717 -179.853 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.532 ' O ' ' HB3' ' B' ' 12' ' ' GLN . 6.0 tttt -47.59 -44.68 26.6 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-N 108.496 -3.956 . . . . 25.77 110.169 178.923 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 4.5 mt -66.83 -23.46 31.08 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.065 0 CA-C-O 122.456 1.122 . . . . 22.78 110.475 -177.489 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' PHE . . . . . 0.56 ' HB2' ' CD1' ' B' ' 94' ' ' LEU . 3.0 t80 -83.52 -41.23 18.2 Favored 'General case' 0 C--O 1.203 -1.369 0 CA-C-O 113.217 -3.277 . . . . 19.1 107.07 -176.785 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.679 ' HA ' ' HB2' ' B' ' 15' ' ' ALA . 3.5 m -76.12 -13.07 14.73 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.652 1 O-C-N 130.272 4.733 . . . . 21.74 111.675 -176.637 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' GLN . . . . . 0.559 ' O ' ' HG2' ' B' ' 13' ' ' LYS . 0.0 OUTLIER -105.84 11.42 31.91 Favored 'General case' 0 C--N 1.287 -2.112 1 O-C-N 130.59 4.931 . . . . 24.71 109.544 -179.426 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.684 ' HE2' ' CE1' ' B' ' 82' ' ' PHE . 0.7 OUTLIER -165.2 -9.37 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.356 0 O-C-N 117.337 -3.352 . . . . 22.71 113.78 -178.048 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' CYS . . . . . 0.447 ' HB2' ' O ' ' B' ' 10' ' ' PHE . 35.9 m -122.23 -25.8 4.8 Favored 'General case' 0 C--N 1.294 -1.809 0 CA-C-O 123.744 1.735 . . . . 19.58 114.714 -178.888 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.679 ' HB2' ' HA ' ' B' ' 11' ' ' VAL . . . -54.75 -41.35 70.34 Favored 'General case' 0 N--CA 1.474 0.757 1 CA-C-N 107.28 -4.509 . . . . 20.21 116.182 -177.509 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -49.25 -51.29 34.41 Favored 'General case' 0 C--O 1.273 2.303 0 CA-C-O 112.056 -3.831 . . . . 23.88 108.98 -178.739 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' CYS . . . . . 0.679 ' HB3' ' HB ' ' B' ' 28' ' ' THR . 1.9 m -110.26 -3.95 15.97 Favored 'General case' 0 C--O 1.28 2.708 1 O-C-N 134.269 7.231 . . . . 19.59 118.274 179.283 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -133.14 149.27 52.09 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 118.509 2.781 . . . . 19.79 118.509 178.393 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 41.4 p -109.52 152.64 25.19 Favored 'General case' 0 C--O 1.25 1.126 0 C-N-CA 128.576 2.75 . . . . 27.72 110.235 176.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.605 ' O ' ' HB2' ' B' ' 33' ' ' HIS . 0.1 OUTLIER -129.87 -20.39 1.48 Allowed 'Isoleucine or valine' 0 C--O 1.259 1.6 0 N-CA-C 118.076 2.621 . . . . 33.95 118.076 178.582 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.632 ' HG2' ' N ' ' B' ' 22' ' ' LYS . 23.6 tt0 -63.43 152.32 38.59 Favored 'General case' 0 C--O 1.25 1.08 0 N-CA-C 105.164 -2.161 . . . . 40.38 105.164 -179.895 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.632 ' N ' ' HG2' ' B' ' 21' ' ' GLU . 0.8 OUTLIER -70.27 157.01 38.48 Favored 'General case' 0 C--N 1.307 -1.265 0 C-N-CA 115.729 -2.388 . . . . 37.81 105.592 179.149 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.443 ' N ' ' HG3' ' B' ' 22' ' ' LYS . . . 85.56 -22.46 10.87 Favored Glycine 0 N--CA 1.48 1.633 0 O-C-N 128.594 3.684 . . . . 36.85 111.071 179.153 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.457 ' HA3' ' ND2' ' B' ' 31' ' ' ASN . . . -29.39 142.12 0.01 OUTLIER Glycine 0 C--O 1.249 1.032 0 O-C-N 127.511 2.536 . . . . 35.4 118.019 179.31 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.794 ' HB2' ' NZ ' ' B' ' 25' ' ' LYS . 2.7 mtpm? -101.65 113.4 26.52 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 116.237 -2.185 . . . . 35.43 113.861 -178.618 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' HIS . . . . . 0.601 ' HA ' ' O ' ' B' ' 111' ' ' HOH . 97.2 m-70 -38.55 135.28 0.82 Allowed 'General case' 0 C--N 1.3 -1.566 0 O-C-N 126.873 2.608 . . . . 29.85 113.903 177.721 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.476 ' O ' ' C ' ' B' ' 28' ' ' THR . 38.7 mtpt -112.24 -147.94 0.42 Allowed 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 101.956 -3.35 . . . . 24.21 101.956 174.178 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' THR . . . . . 0.679 ' HB ' ' HB3' ' B' ' 17' ' ' CYS . 27.0 m -42.7 -37.48 1.75 Allowed 'General case' 0 C--N 1.294 -1.818 0 O-C-N 117.542 -3.224 . . . . 21.83 105.404 178.1 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -113.03 150.55 18.44 Favored Glycine 0 C--N 1.341 0.85 0 N-CA-C 121.683 3.433 . . . . 22.0 121.683 -177.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' PRO . . . . . 0.416 ' HA ' ' ND1' ' B' ' 26' ' ' HIS . 17.1 Cg_endo -60.63 136.86 69.72 Favored 'Trans proline' 0 CA--C 1.506 -0.902 1 CA-C-O 109.783 -4.34 . . . . 24.14 109.885 -177.312 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' ASN . . . . . 0.457 ' ND2' ' HA3' ' B' ' 24' ' ' GLY . 5.1 t-20 -60.72 144.97 51.11 Favored 'General case' 0 N--CA 1.499 1.991 1 O-C-N 133.533 6.771 . . . . 24.78 101.849 178.904 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.407 ' HA ' HD23 ' B' ' 32' ' ' LEU . 13.8 mt -92.49 -27.23 17.56 Favored 'General case' 0 C--O 1.269 2.112 0 O-C-N 126.693 2.496 . . . . 25.63 115.609 -178.975 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' HIS . . . . . 0.605 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 9.7 t60 -46.78 103.95 0.05 OUTLIER 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 115.747 1.758 . . . . 29.98 115.747 -177.651 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.97 19.35 9.13 Favored Glycine 0 C--O 1.242 0.612 0 C-N-CA 129.154 3.264 . . . . 27.03 114.554 179.14 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.752 HD12 ' CD1' ' B' ' 59' ' ' TRP . 48.3 tp -52.25 -59.74 4.04 Favored 'General case' 0 C--O 1.261 1.69 0 C-N-CA 126.737 2.015 . . . . 29.45 115.821 -177.481 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' PHE . . . . . 0.907 ' CE2' ' HA ' ' B' ' 99' ' ' LYS . 96.6 m-85 -56.24 127.25 29.88 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 117.334 -1.317 . . . . 32.91 108.597 -177.088 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' GLY . . . . . 0.645 ' O ' ' CG2' ' B' ' 58' ' ' THR . . . 108.69 -49.11 0.88 Allowed Glycine 0 C--O 1.247 0.965 1 O-C-N 130.439 4.837 . . . . 36.8 113.699 -177.089 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.426 ' C ' HG22 ' B' ' 58' ' ' THR . 12.0 ttp180 -67.56 137.23 55.56 Favored 'General case' 0 C--O 1.244 0.803 1 C-N-CA 132.309 4.244 . . . . 38.73 119.908 -179.089 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' LYS . . . . . 1.077 ' O ' ' O ' ' B' ' 110' ' ' HOH . 4.2 mttm -70.26 161.05 31.07 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 107.577 -1.268 . . . . 38.01 107.577 178.543 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' THR . . . . . 0.758 HG23 HG12 ' B' ' 57' ' ' ILE . 31.0 p -59.38 142.06 53.1 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 124.281 0.988 . . . . 37.86 113.611 -176.738 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' GLY . . . . . 0.525 ' HA2' ' CE2' ' B' ' 48' ' ' TYR . . . 61.86 61.92 6.25 Favored Glycine 0 C--O 1.263 1.944 0 CA-C-N 113.641 -1.618 . . . . 39.34 116.105 178.937 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' GLN . . . . . 0.495 ' HB2' ' O ' ' B' ' 110' ' ' HOH . 11.1 mt-30 -137.2 18.96 2.96 Favored 'General case' 0 C--O 1.261 1.708 0 CA-C-O 112.801 -3.476 . . . . 40.79 117.031 -178.978 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.27 137.3 93.92 Favored Pre-proline 0 N--CA 1.491 1.578 1 N-CA-C 99.479 -4.267 . . . . 38.75 99.479 178.363 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -68.86 134.17 29.23 Favored 'Trans proline' 0 C--O 1.265 1.831 0 O-C-N 128.192 3.732 . . . . 38.17 105.859 -179.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.27 56.59 5.1 Favored Glycine 0 C--O 1.283 3.158 0 O-C-N 125.233 1.583 . . . . 34.73 116.437 179.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.632 ' HB3' ' CE1' ' B' ' 48' ' ' TYR . 73.2 t80 -142.77 138.9 30.78 Favored 'General case' 0 N--CA 1.487 1.389 1 CA-C-O 109.777 -4.916 . . . . 28.73 101.118 -179.064 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' THR . . . . . 0.583 ' O ' ' NZ ' ' B' ' 79' ' ' LYS . 10.2 m -93.35 82.8 4.49 Favored 'General case' 0 N--CA 1.485 1.276 2 O-C-N 132.502 6.126 . . . . 31.21 102.957 -179.434 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' TYR . . . . . 0.673 ' CD2' ' ND2' ' B' ' 52' ' ' ASN . 42.3 m-85 -60.49 -177.31 0.07 Allowed 'General case' 0 C--N 1.301 -1.509 0 O-C-N 128.876 3.86 . . . . 33.16 102.761 179.24 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' THR . . . . . 0.903 HG21 ' O ' ' B' ' 77' ' ' GLY 0.304 0.2 OUTLIER -69.99 -115.49 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.867 2 O-C-N 130.37 4.794 . . . . 34.07 99.03 176.997 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.916 ' HA ' ' HG2' ' B' ' 53' ' ' LYS . 2.6 m-20 -167.01 -12.34 0.02 OUTLIER 'General case' 0 C--N 1.287 -2.138 0 N-CA-C 100.504 -3.888 . . . . 39.06 100.504 -176.138 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -97.52 -31.78 12.15 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 100.967 -3.716 . . . . 37.74 100.967 -179.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' ASN . . . . . 0.692 ' ND2' ' O ' ' B' ' 52' ' ' ASN . 0.1 OUTLIER -91.17 0.14 57.59 Favored 'General case' 0 C--O 1.248 1.003 2 O-C-N 131.227 5.329 . . . . 36.43 102.403 179.345 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.916 ' HG2' ' HA ' ' B' ' 50' ' ' ASP 0.254 8.7 ptpt -119.77 12.41 12.15 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 127.555 3.034 . . . . 35.06 105.136 179.181 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' ASN . . . . . 0.666 ' OD1' ' HG3' ' B' ' 53' ' ' LYS . 9.6 m-20 -136.22 18.59 3.18 Favored 'General case' 0 C--O 1.251 1.138 1 O-C-N 132.048 5.843 . . . . 38.05 114.706 -177.422 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -69.38 -36.74 77.1 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 126.068 2.105 . . . . 36.26 107.594 178.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 55.73 70.22 1.03 Allowed Glycine 0 CA--C 1.534 1.255 0 CA-C-N 109.553 -3.476 . . . . 36.78 111.367 179.239 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.758 HG12 HG23 ' B' ' 40' ' ' THR . 2.8 pt -154.22 167.36 1.1 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.232 0 O-C-N 128.024 2.838 . . . . 35.3 108.694 -179.744 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' THR . . . . . 0.645 ' CG2' ' O ' ' B' ' 37' ' ' GLY 0.286 0.0 OUTLIER -113.18 139.78 48.48 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 128.151 3.834 . . . . 33.79 111.052 -178.984 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' TRP . . . . . 0.752 ' CD1' HD12 ' B' ' 35' ' ' LEU . 30.6 m95 -79.26 122.4 26.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 111.033 -2.803 . . . . 31.41 105.724 -177.899 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -159.67 161.96 35.01 Favored 'General case' 0 C--O 1.254 1.303 1 O-C-N 133.8 6.938 . . . . 30.3 104.464 178.338 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' GLU . . . . . 0.689 ' HG3' ' HE2' ' B' ' 99' ' ' LYS . 5.5 mp0 -38.4 -28.5 0.02 OUTLIER 'General case' 0 C--N 1.307 -1.256 0 O-C-N 128.11 3.382 . . . . 28.02 111.398 179.676 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . 0.255 40.6 tt0 -89.79 -41.6 11.76 Favored 'General case' 0 C--O 1.251 1.145 0 CA-C-N 123.231 2.741 . . . . 32.96 116.706 -175.508 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' THR . . . . . 0.523 ' CG2' HD12 ' B' ' 57' ' ' ILE . 6.6 p -65.5 -56.23 13.5 Favored 'General case' 0 C--O 1.256 1.41 2 O-C-N 135.505 8.003 . . . . 27.35 102.914 179.256 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 13.7 mt -45.94 -44.53 14.83 Favored 'General case' 0 C--N 1.315 -0.921 0 O-C-N 126.553 2.408 . . . . 24.82 112.708 177.666 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' MET . . . . . 0.793 ' HG2' ' CD1' ' B' ' 95' ' ' ILE . 1.5 mmm -62.83 -31.79 72.88 Favored 'General case' 0 C--N 1.297 -1.691 0 C-N-CA 124.665 1.186 . . . . 25.41 112.181 -178.875 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -74.78 -40.21 61.29 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 118.184 -1.406 . . . . 26.78 108.891 -178.824 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -63.59 -52.15 62.21 Favored 'General case' 0 C--O 1.266 1.925 1 CA-C-O 110.43 -4.605 . . . . 25.48 114.047 -179.061 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.586 ' HB2' ' HD3' ' B' ' 91' ' ' ARG . 5.7 mt -59.22 -32.54 70.06 Favored 'General case' 0 CA--C 1.494 -1.175 1 O-C-N 132.569 6.168 . . . . 23.75 115.76 -177.009 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' GLU . . . . . 0.417 ' O ' ' HA3' ' B' ' 84' ' ' GLY . 17.5 tt0 -57.7 -43.12 84.93 Favored 'General case' 0 C--N 1.277 -2.559 0 O-C-N 119.524 -1.985 . . . . 29.95 112.998 -179.131 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -168.47 82.96 0.74 Allowed Pre-proline 0 C--N 1.32 -0.689 0 O-C-N 126.816 2.572 . . . . 25.14 114.993 -178.232 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -46.35 -46.56 16.74 Favored 'Trans proline' 0 C--N 1.296 -2.23 0 C-N-CA 122.969 2.446 . . . . 26.2 116.968 177.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' LYS . . . . . 0.662 ' HE2' ' O ' ' B' ' 159' ' ' HOH 0.352 0.3 OUTLIER -65.68 -31.63 72.75 Favored 'General case' 0 C--O 1.258 1.541 0 CA-C-N 122.958 2.617 . . . . 28.14 112.007 -178.119 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' LYS . . . . . 0.427 ' HE2' ' O ' ' B' ' 73' ' ' LYS . 0.0 OUTLIER -74.12 -22.94 59.26 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-O 125.093 2.378 . . . . 30.62 106.754 177.622 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -81.2 -72.57 0.42 Allowed 'General case' 0 CA--C 1.507 -0.711 0 CA-C-O 115.181 -2.342 . . . . 30.92 106.299 179.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.455 ' O ' ' HB ' ' B' ' 78' ' ' THR . 34.6 mt -112.22 67.19 0.84 Allowed Pre-proline 0 C--N 1.298 -1.662 0 N-CA-C 117.977 2.584 . . . . 29.16 117.977 -179.466 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -46.45 138.38 13.98 Favored 'Trans proline' 0 C--O 1.273 2.246 0 C-N-CA 123.458 2.772 . . . . 29.46 108.588 178.15 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' GLY . . . . . 0.903 ' O ' HG21 ' B' ' 49' ' ' THR . . . 97.24 4.22 58.55 Favored Glycine 0 N--CA 1.482 1.728 0 CA-C-O 124.792 2.329 . . . . 26.84 108.632 -178.898 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' THR . . . . . 0.455 ' HB ' ' O ' ' B' ' 75' ' ' ILE . 0.9 OUTLIER -88.48 144.64 26.22 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 114.067 -2.873 . . . . 23.69 110.021 -179.597 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' LYS . . . . . 0.583 ' NZ ' ' O ' ' B' ' 47' ' ' THR . 1.2 ptmt -90.48 22.78 3.26 Favored 'General case' 0 C--N 1.28 -2.416 0 CA-C-O 127.788 3.661 . . . . 21.14 113.087 177.032 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' MET . . . . . 0.566 ' HE3' ' CHC' ' B' ' 105' ' ' HEM . 2.2 ttt -100.7 100.03 10.66 Favored 'General case' 0 N--CA 1.49 1.572 1 N-CA-C 95.568 -5.715 . . . . 18.88 95.568 178.56 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . 0.254 3.0 mm -92.69 90.38 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 1 O-C-N 129.892 4.495 . . . . 18.06 103.843 -179.977 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' PHE . . . . . 0.684 ' CE1' ' HE2' ' B' ' 13' ' ' LYS . 88.8 t80 -144.76 136.75 25.91 Favored 'General case' 0 N--CA 1.499 2.0 1 CA-C-O 111.624 -4.036 . . . . 22.88 106.433 -178.974 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.52 -30.13 64.21 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-N 125.17 3.623 . . . . 21.28 120.673 179.853 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' GLY . . . . . 0.417 ' HA3' ' O ' ' B' ' 69' ' ' GLU . . . 124.93 179.2 15.62 Favored Glycine 0 N--CA 1.504 3.205 0 O-C-N 116.959 -3.588 . . . . 24.36 111.352 -177.475 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.421 ' HB ' ' HG3' ' B' ' 91' ' ' ARG . 71.0 mt -117.91 83.29 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.037 0 N-CA-C 103.269 -2.863 . . . . 25.31 103.269 177.91 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' LYS . . . . . 0.695 ' HE3' ' O ' ' B' ' 153' ' ' HOH 0.284 0.0 OUTLIER -51.81 -30.96 25.4 Favored 'General case' 0 C--O 1.282 2.809 1 CA-C-O 111.358 -4.163 . . . . 28.29 114.687 -176.95 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -84.01 124.01 30.61 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 123.962 3.074 . . . . 30.69 117.943 -178.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . 0.27 5.1 tptp -42.58 -53.77 4.25 Favored 'General case' 0 C--O 1.265 1.884 1 CA-C-O 134.226 6.727 . . . . 27.19 115.027 178.584 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' THR . . . . . 0.746 ' HB ' ' O ' ' B' ' 157' ' ' HOH 0.397 0.0 OUTLIER -61.28 -27.43 68.46 Favored 'General case' 0 CA--C 1.489 -1.366 1 O-C-N 114.282 -5.261 . . . . 23.91 114.083 -177.496 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -86.25 -42.04 14.1 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 106.217 -1.771 . . . . 25.73 106.217 -178.957 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.586 ' HD3' ' HB2' ' B' ' 68' ' ' LEU . 20.3 mtm180 -66.79 -40.02 87.99 Favored 'General case' 0 N--CA 1.479 1.012 1 O-C-N 132.787 6.304 . . . . 19.57 107.058 176.756 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -59.61 -44.74 93.32 Favored 'General case' 0 C--O 1.25 1.125 0 CA-C-O 114.709 -2.567 . . . . 24.03 110.81 179.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' ASP . . . . . 0.825 ' OD2' ' HE3' ' B' ' 5' ' ' LYS . 25.1 m-20 -64.8 -39.66 93.95 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 121.458 1.936 . . . . 23.03 113.534 179.438 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.56 ' CD1' ' HB2' ' B' ' 10' ' ' PHE . 19.2 tp -67.14 -42.12 84.93 Favored 'General case' 0 C--O 1.253 1.268 0 CA-C-O 116.161 -1.876 . . . . 20.03 111.057 -178.148 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.793 ' CD1' ' HG2' ' B' ' 65' ' ' MET . 54.0 mt -61.46 -35.48 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 1 O-C-N 129.894 4.496 . . . . 19.03 114.84 179.819 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.04 -59.89 4.41 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 103.63 -2.73 . . . . 18.17 103.63 -179.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -48.34 -44.19 34.02 Favored 'General case' 0 N--CA 1.5 2.047 1 O-C-N 129.257 4.098 . . . . 23.13 111.219 179.503 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.458 ' HA ' HD23 ' B' ' 98' ' ' LEU . 33.8 mt -54.59 -63.44 1.15 Allowed 'General case' 0 CA--C 1.501 -0.926 0 O-C-N 126.683 2.49 . . . . 17.76 109.354 -179.752 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' LYS . . . . . 0.907 ' HA ' ' CE2' ' B' ' 36' ' ' PHE . 6.8 ttmt -41.43 -48.0 3.72 Favored 'General case' 0 C--N 1.291 -1.942 0 C-N-CA 130.728 3.611 . . . . 21.78 109.967 -179.595 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' LYS . . . . . 0.711 ' O ' ' N ' ' B' ' 103' ' ' ASN . 0.1 OUTLIER -69.73 -104.33 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 100.567 -3.864 . . . . 20.91 100.567 179.067 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' B' ' 100' ' ' LYS . . . -22.57 -46.42 0.01 OUTLIER 'General case' 0 C--O 1.261 1.682 1 CA-C-O 111.257 -4.211 . . . . 26.44 111.265 -177.342 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' THR . . . . . 0.479 ' N ' ' O ' ' B' ' 100' ' ' LYS . 45.9 p -71.53 10.14 0.7 Allowed 'General case' 0 N--CA 1.483 1.189 0 CA-C-O 112.341 -3.695 . . . . 30.78 111.227 179.551 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' ASN . . . . . 0.711 ' N ' ' O ' ' B' ' 100' ' ' LYS . 5.0 m120 -119.73 -0.98 10.63 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 126.34 2.275 . . . . 36.77 116.153 -177.967 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' B' ' 104' ' ' GLU 0.41 4.1 pt-20 . . . . . 0 C--O 1.269 2.099 0 C-N-CA 128.492 2.717 . . . . 43.24 114.238 -179.408 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HEM . . . . . 0.72 ' O2D' ' OG1' ' A' ' 49' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' HEM . . . . . 0.566 ' CHC' ' HE3' ' B' ' 80' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . 0.604 ' O ' ' HB2' ' A' ' 42' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . 0.536 ' O ' ' CA ' ' A' ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' HOH . . . . . 0.495 ' O ' ' HD2' ' A' ' 44' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' HOH . . . . . 0.417 ' O ' ' H1 ' ' A' ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' HOH . . . . . 0.707 ' O ' ' HB2' ' A' ' 71' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' HOH . . . . . 0.532 ' O ' HG22 ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' HOH . . . . . 0.417 ' O ' ' HG2' ' A' ' 25' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' HOH . . . . . 0.418 ' O ' ' HA ' ' A' ' 38' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' HOH . . . . . 0.409 ' O ' ' HD2' ' A' ' 79' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 159' ' ' HOH . . . . . 1.109 ' O ' ' HA ' ' A' ' 100' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 164' ' ' HOH . . . . . 1.029 ' O ' ' HE2' ' A' ' 39' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 167' ' ' HOH . . . . . 0.577 ' O ' ' HB1' ' A' ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 170' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 171' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' HOH . . . . . 0.608 ' O ' ' OD1' ' B' ' 52' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' HOH . . . . . 1.077 ' O ' ' O ' ' B' ' 39' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' HOH . . . . . 0.601 ' O ' ' HA ' ' B' ' 26' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' HOH . . . . . 0.506 ' O ' ' O ' ' B' ' 40' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' HOH . . . . . 0.594 ' O ' ' HG3' ' B' ' 21' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 133' ' ' HOH . . . . . 0.469 ' O ' ' HE3' ' B' ' 79' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 148' ' ' HOH . . . . . 0.508 ' O ' ' NZ ' ' B' ' 39' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 153' ' ' HOH . . . . . 0.695 ' O ' ' HE3' ' B' ' 86' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 155' ' ' HOH . . . . . 0.545 ' O ' ' OE1' ' B' ' 4' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 157' ' ' HOH . . . . . 0.746 ' O ' ' HB ' ' B' ' 89' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 159' ' ' HOH . . . . . 0.662 ' O ' ' HE2' ' B' ' 72' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_