data_6fry_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6fry _Structure_validation_residue.Date_analyzed 2019-03-08 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 ' 10' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.565 1.548 0 CA-C-O 118.922 -0.561 . . . . 131.36 110.07 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.09 135.15 52.07 Favored Glycine 0 N--CA 1.494 2.513 0 CA-C-N 119.647 1.112 . . . . 59.72 113.414 171.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 53.7 tpt85 -59.63 -40.56 88.01 Favored 'General case' 0 N--CA 1.508 2.453 0 N-CA-C 114.831 1.419 . . . . 88.03 114.831 -171.062 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -114.47 22.18 13.9 Favored 'General case' 0 CA--C 1.493 -1.248 0 CA-C-N 115.754 -0.657 . . . . 50.23 110.126 179.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -52.16 -48.37 64.96 Favored 'General case' 0 C--O 1.262 1.744 0 CA-C-O 123.471 1.605 . . . . 45.08 107.889 177.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.86 -43.62 75.03 Favored 'General case' 0 C--O 1.298 3.648 0 CA-C-N 113.716 -1.584 . . . . 43.53 111.467 -176.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.26 -37.22 93.73 Favored Glycine 0 N--CA 1.511 3.69 0 N-CA-C 109.946 -1.261 . . . . 32.77 109.946 -176.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 67.6 mt -79.67 -42.05 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.875 0 N-CA-C 115.773 1.768 . . . . 31.24 115.773 -177.182 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 54.4 m -63.39 132.97 53.18 Favored 'General case' 0 N--CA 1.439 -1.01 0 N-CA-C 107.569 -1.271 . . . . 28.98 107.569 -174.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 141.12 -154.71 24.67 Favored Glycine 0 C--O 1.275 2.67 0 CA-C-N 115.129 -0.941 . . . . 26.15 113.457 177.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 51.4 m -112.06 129.86 56.07 Favored 'General case' 0 N--CA 1.431 -1.385 0 C-N-CA 124.25 1.02 . . . . 27.54 108.304 -176.164 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 86.5 m95 -125.57 152.58 44.89 Favored 'General case' 0 N--CA 1.436 -1.14 0 O-C-N 125.423 1.702 . . . . 26.56 111.859 178.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -133.72 134.45 43.04 Favored 'General case' 0 C--O 1.256 1.447 0 N-CA-C 106.719 -1.586 . . . . 27.65 106.719 -173.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 39.7 p30 -104.24 -175.55 2.83 Favored 'General case' 0 CA--C 1.508 -0.672 0 C-N-CA 118.351 -1.34 . . . . 25.12 113.131 175.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.0 pm0 -73.67 -10.3 59.55 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-N 114.495 -1.23 . . . . 25.86 110.546 -170.124 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.5 mt -94.43 -7.87 40.23 Favored 'General case' 0 C--O 1.254 1.324 0 O-C-N 121.565 -0.71 . . . . 34.6 109.569 177.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.42 10.53 67.91 Favored Glycine 0 CA--C 1.551 2.327 0 C-N-CA 119.172 -1.49 . . . . 29.44 115.921 -173.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 54.0 m -74.55 156.72 36.54 Favored 'General case' 0 C--O 1.209 -1.033 0 CA-C-O 121.616 0.722 . . . . 25.14 111.738 172.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.6 m -124.06 127.57 48.05 Favored 'General case' 0 CA--C 1.58 2.121 0 C-N-CA 126.273 1.829 . . . . 33.33 109.689 -177.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -122.71 120.56 34.0 Favored 'General case' 0 N--CA 1.502 2.161 0 N-CA-C 101.937 -3.357 . . . . 33.82 101.937 -177.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 74.5 mt -114.83 123.78 70.85 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.347 0 C-N-CA 126.152 1.781 . . . . 41.83 108.111 173.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.4 p -140.89 143.1 29.06 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.563 0 O-C-N 124.395 1.059 . . . . 30.15 112.212 -170.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 76.6 m -112.85 126.92 55.98 Favored 'General case' 0 C--O 1.26 1.653 0 CA-C-N 113.838 -1.528 . . . . 36.63 109.414 166.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.0 129.38 42.1 Favored 'General case' 0 C--N 1.371 1.519 0 O-C-N 125.079 1.487 . . . . 31.16 109.676 173.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -89.74 158.15 27.02 Favored Glycine 0 N--CA 1.502 3.082 0 N-CA-C 107.918 -2.073 . . . . 30.97 107.918 179.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.77 -25.86 67.72 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 116.848 2.166 . . . . 37.0 116.848 -174.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ASP . . . . . 0.452 ' OD2' ' O ' ' A' ' 301' ' ' HOH . 17.6 p-10 -91.28 -22.33 20.62 Favored 'General case' 0 CA--C 1.559 1.295 0 C-N-CA 129.975 3.31 . . . . 83.35 112.919 -171.143 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 134.15 -5.08 4.61 Favored Glycine 0 N--CA 1.426 -2.012 0 O-C-N 120.77 -1.207 . . . . 24.47 114.406 -176.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.48 148.44 45.09 Favored 'General case' 0 N--CA 1.529 3.492 0 C-N-CA 117.649 -1.62 . . . . 29.96 111.261 -174.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 72.8 mt -127.57 131.44 50.0 Favored 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 108.785 -0.82 . . . . 23.89 108.785 164.024 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 62.0 p -141.6 147.57 37.85 Favored 'General case' 0 N--CA 1.527 3.406 0 N-CA-C 107.836 -1.172 . . . . 38.34 107.836 178.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 175.29 -158.25 25.56 Favored Glycine 0 N--CA 1.404 -3.441 0 C-N-CA 117.042 -2.504 . . . . 21.97 112.914 -173.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 75.8 p -139.24 153.01 47.76 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-N 113.688 -1.256 . . . . 29.27 109.321 173.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -128.79 138.12 51.9 Favored 'General case' 0 C--O 1.188 -2.179 0 C-N-CA 125.032 1.333 . . . . 22.58 108.862 178.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -130.48 116.09 17.73 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 105.046 -2.205 . . . . 46.35 105.046 175.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 47.5 t -89.36 133.42 34.51 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-N 115.447 -0.797 . . . . 24.4 109.637 -178.046 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.25 -10.87 59.69 Favored 'General case' 0 C--N 1.342 0.245 0 O-C-N 124.246 0.966 . . . . 29.01 112.58 173.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 32.8 m -132.59 165.7 31.46 Favored 'Isoleucine or valine' 0 C--O 1.293 3.386 0 CA-C-O 121.542 0.687 . . . . 28.3 111.224 -179.043 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.77 -165.04 45.44 Favored Glycine 0 C--N 1.335 0.527 0 CA-C-N 114.06 -1.427 . . . . 26.05 113.133 172.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -88.3 75.93 8.45 Favored 'General case' 0 C--O 1.213 -0.866 0 N-CA-C 107.994 -1.113 . . . . 35.56 107.994 -173.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -154.41 139.49 17.39 Favored 'General case' 0 C--O 1.203 -1.352 0 CA-C-N 115.146 -0.934 . . . . 27.86 109.519 -166.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -146.08 135.64 23.15 Favored 'General case' 0 C--O 1.275 2.41 0 N-CA-C 107.921 -1.14 . . . . 64.81 107.921 173.761 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.7 t 67.69 -158.41 0.22 Allowed 'General case' 0 CA--C 1.549 0.912 0 O-C-N 124.892 1.37 . . . . 38.23 112.237 177.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.9 mtm-85 -95.4 150.36 20.37 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.141 0.9 . . . . 85.05 110.367 -172.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -131.43 145.56 51.85 Favored 'General case' 0 N--CA 1.408 -2.546 0 CA-C-N 114.165 -1.379 . . . . 23.72 107.639 178.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 70.0 t -66.92 140.12 19.95 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.383 0 CA-C-N 114.996 -1.002 . . . . 25.88 111.377 178.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 pp -132.02 145.97 51.78 Favored 'General case' 0 CA--C 1.476 -1.887 0 CA-C-N 115.132 -0.94 . . . . 38.71 112.923 171.243 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 15.2 t -137.32 155.44 49.42 Favored 'General case' 0 N--CA 1.421 -1.899 0 O-C-N 124.976 1.422 . . . . 30.3 111.165 173.566 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -172.24 -161.76 23.28 Favored Glycine 0 N--CA 1.478 1.453 0 C-N-CA 117.993 -2.051 . . . . 18.38 110.668 177.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -148.31 149.32 31.63 Favored 'General case' 0 C--O 1.273 2.301 0 CA-C-O 123.545 1.641 . . . . 25.76 107.029 -174.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -139.11 158.64 43.83 Favored 'General case' 0 C--O 1.21 -1.015 0 N-CA-C 105.735 -1.95 . . . . 29.9 105.735 175.432 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -77.62 107.09 9.84 Favored 'General case' 0 C--O 1.253 1.276 0 C-N-CA 124.81 1.244 . . . . 25.36 108.437 175.078 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.9 p -80.89 0.19 36.31 Favored 'General case' 0 C--O 1.256 1.431 0 CA-C-N 115.617 -0.719 . . . . 31.98 112.605 -176.024 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -142.99 68.11 17.82 Favored Pre-proline 0 CA--C 1.558 1.287 0 N-CA-C 106.968 -1.493 . . . . 35.02 106.968 177.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -66.15 169.35 13.82 Favored 'Trans proline' 0 C--N 1.361 1.21 0 CA-C-O 122.893 1.122 . . . . 36.16 113.465 -177.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.7 153.65 42.67 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 105.472 -2.047 . . . . 42.76 105.472 -178.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 45.6 p -105.39 20.69 18.46 Favored 'General case' 0 C--O 1.176 -2.795 0 O-C-N 121.437 -0.789 . . . . 57.29 109.964 -173.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 55.3 p30 -103.85 22.14 15.05 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 114.706 1.373 . . . . 50.94 114.706 -173.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.81 1.09 71.07 Favored Glycine 0 N--CA 1.417 -2.594 0 CA-C-O 118.041 -1.422 . . . . 47.19 111.729 -179.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 70.6 m -71.89 151.77 43.11 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 118.96 1.38 . . . . 38.48 113.018 174.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.32 -178.96 21.39 Favored Glycine 0 N--CA 1.42 -2.382 0 CA-C-N 115.987 -0.552 . . . . 26.68 112.41 172.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 100.0 m -117.23 110.55 18.27 Favored 'General case' 0 N--CA 1.502 2.144 0 CA-C-N 114.388 -0.906 . . . . 28.42 108.734 -174.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.07 142.84 54.39 Favored 'General case' 0 N--CA 1.427 -1.578 0 CA-C-O 122.733 1.254 . . . . 22.88 111.239 -176.081 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -160.26 164.27 32.8 Favored 'General case' 0 C--O 1.248 0.995 0 CA-C-N 113.689 -1.596 . . . . 32.24 110.651 -179.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -156.92 163.87 32.47 Favored Glycine 1 CA--C 1.442 -4.487 0 O-C-N 125.472 1.733 . . . . 19.97 113.835 169.793 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 39.2 p90 -156.98 164.63 37.81 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 124.697 0.88 . . . . 21.47 112.16 175.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 71.2 m -127.65 140.27 52.2 Favored 'General case' 0 CA--C 1.457 -2.602 0 C-N-CA 125.357 1.463 . . . . 21.79 114.701 -178.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.7 t -124.07 125.98 71.64 Favored 'Isoleucine or valine' 0 CA--C 1.481 -1.707 0 C-N-CA 125.196 1.398 . . . . 22.37 109.544 167.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -98.19 131.63 44.39 Favored 'General case' 0 C--O 1.206 -1.212 0 N-CA-C 105.945 -1.872 . . . . 21.81 105.945 166.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -82.69 48.4 1.32 Allowed 'General case' 0 CA--C 1.474 -1.971 0 N-CA-C 115.681 1.734 . . . . 24.76 115.681 -169.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -124.04 131.42 53.55 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 112.281 -2.236 . . . . 35.88 108.562 172.047 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 55.2 p30 -148.15 -161.68 1.39 Allowed 'General case' 0 CA--C 1.476 -1.892 0 N-CA-C 106.563 -1.644 . . . . 28.45 106.563 170.157 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -74.8 -12.21 60.34 Favored 'General case' 0 N--CA 1.51 2.554 0 C-N-CA 118.171 -1.412 . . . . 51.81 113.543 -173.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -97.54 -40.23 8.75 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 116.264 1.95 . . . . 51.66 116.264 -175.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 54.9 mtt180 -148.27 158.53 44.14 Favored 'General case' 0 C--O 1.268 2.076 0 CA-C-O 121.848 0.832 . . . . 52.27 111.825 -172.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 64.9 t-20 -139.55 107.65 5.74 Favored 'General case' 0 N--CA 1.436 -1.149 0 N-CA-C 106.665 -1.606 . . . . 27.4 106.665 172.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.82 9.9 25.64 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-N 113.4 -1.727 . . . . 25.81 114.802 -179.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 41.64 52.13 3.94 Favored 'General case' 0 C--O 1.277 2.521 0 C-N-CA 124.606 1.162 . . . . 28.68 112.581 179.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.8 p -157.94 163.81 37.48 Favored 'General case' 0 CA--C 1.464 -2.352 0 O-C-N 125.786 1.929 . . . . 25.01 113.351 -174.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -144.58 137.08 26.5 Favored 'General case' 0 C--O 1.262 1.721 0 N-CA-C 108.853 -0.795 . . . . 22.88 108.853 178.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 77.8 m -108.66 141.94 39.87 Favored 'General case' 0 N--CA 1.434 -1.249 0 O-C-N 124.38 1.05 . . . . 20.19 110.324 170.849 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 41.6 p -119.28 131.08 55.71 Favored 'General case' 0 C--O 1.265 1.893 0 C-N-CA 124.879 1.272 . . . . 21.33 107.664 169.16 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 15.0 m-90 -106.69 132.45 52.66 Favored 'General case' 0 C--O 1.2 -1.518 0 N-CA-C 107.294 -1.372 . . . . 21.38 107.294 174.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 42.4 t -125.05 134.62 52.47 Favored 'General case' 0 N--CA 1.516 2.835 0 N-CA-C 104.639 -2.356 . . . . 21.03 104.639 176.021 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -172.26 -161.01 22.03 Favored Glycine 1 N--CA 1.388 -4.554 0 N-CA-C 117.294 1.678 . . . . 22.63 117.294 -175.97 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -139.65 140.74 37.01 Favored 'General case' 0 C--O 1.174 -2.88 0 O-C-N 124.631 0.842 . . . . 28.77 112.267 174.417 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -90.2 134.84 34.04 Favored 'General case' 0 C--O 1.285 2.934 0 N-CA-C 106.728 -1.582 . . . . 30.78 106.728 172.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 23.5 t -122.57 125.35 72.48 Favored 'Isoleucine or valine' 0 C--O 1.268 2.067 0 N-CA-C 106.245 -1.761 . . . . 38.03 106.245 173.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -86.8 -178.43 49.17 Favored Glycine 0 N--CA 1.495 2.632 0 O-C-N 124.556 1.16 . . . . 44.73 113.689 -175.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 111.11 -170.11 13.64 Favored Glycine 0 N--CA 1.496 2.688 0 CA-C-N 120.154 1.977 . . . . 54.47 108.976 173.319 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.24 -28.14 66.97 Favored 'General case' 0 C--O 1.255 1.385 0 N-CA-C 114.66 1.356 . . . . 68.09 114.66 -166.13 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -116.4 61.83 0.72 Allowed 'General case' 0 C--O 1.259 1.595 0 C-N-CA 126.143 1.777 . . . . 109.63 106.588 174.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.81 143.49 56.24 Favored 'General case' 0 C--O 1.263 1.796 0 CA-C-N 115.596 -0.729 . . . . 39.79 110.722 176.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.6 mtt180 -142.69 147.81 36.3 Favored 'General case' 0 CA--C 1.479 -1.754 0 CA-C-O 122.778 1.275 . . . . 84.19 108.942 -174.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 65.6 mt -113.94 112.67 41.22 Favored 'Isoleucine or valine' 0 C--O 1.262 1.734 0 CA-C-N 113.654 -1.612 . . . . 25.61 109.746 159.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -98.97 117.15 32.84 Favored 'General case' 0 N--CA 1.516 2.836 0 N-CA-C 106.398 -1.704 . . . . 33.8 106.398 -176.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 27.5 p -123.59 158.92 30.35 Favored 'General case' 0 C--O 1.281 2.711 0 CA-C-O 123.267 1.508 . . . . 23.0 114.724 -178.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -118.96 149.84 40.93 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 112.831 -1.986 . . . . 31.79 107.901 155.071 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 27.1 p-90 -134.81 152.61 51.9 Favored 'General case' 0 C--O 1.253 1.269 0 N-CA-C 113.868 1.062 . . . . 21.94 113.868 -175.799 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.3 mt -123.11 124.96 44.27 Favored 'General case' 0 N--CA 1.405 -2.687 0 N-CA-C 105.928 -1.879 . . . . 21.55 105.928 175.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 tt -113.48 104.21 12.05 Favored 'General case' 0 CA--C 1.574 1.903 0 O-C-N 124.345 1.028 . . . . 34.55 110.248 177.151 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 30.5 m -100.0 131.63 45.84 Favored 'General case' 0 N--CA 1.517 2.896 0 N-CA-C 108.402 -0.962 . . . . 25.69 108.402 -178.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.6 m -100.52 146.65 26.82 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-O 122.638 1.209 . . . . 28.26 108.555 171.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.15 128.7 36.98 Favored Glycine 0 C--O 1.223 -0.559 0 C-N-CA 119.772 -1.204 . . . . 31.91 111.558 163.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 42.6 p -138.03 165.51 26.4 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 123.034 0.534 . . . . 29.32 110.243 -175.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 66.8 p -68.42 160.72 29.09 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 116.715 -0.22 . . . . 40.6 110.51 163.501 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -64.1 -33.88 76.78 Favored 'General case' 0 C--O 1.194 -1.847 0 N-CA-C 107.803 -1.184 . . . . 82.43 107.803 -177.246 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.62 -41.03 72.91 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 113.177 0.806 . . . . 44.44 113.177 175.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -98.48 5.47 47.98 Favored 'General case' 0 C--O 1.181 -2.515 0 C-N-CA 123.842 0.857 . . . . 48.56 111.336 -174.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.79 -31.44 71.65 Favored 'General case' 0 C--O 1.262 1.731 0 N-CA-C 114.639 1.348 . . . . 30.92 114.639 -175.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 51.6 p-90 -53.36 -33.16 52.5 Favored 'General case' 0 C--O 1.215 -0.759 0 CA-C-N 116.289 -0.414 . . . . 29.49 111.42 177.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -102.78 18.86 20.43 Favored 'General case' 0 C--O 1.214 -0.787 0 C-N-CA 124.925 1.29 . . . . 25.08 111.43 -174.067 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 97.0 p -74.37 -20.96 59.89 Favored 'General case' 0 C--O 1.206 -1.223 0 N-CA-C 116.736 2.124 . . . . 24.55 116.736 -173.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 18.2 m -125.44 122.73 37.51 Favored 'General case' 0 C--O 1.25 1.126 0 CA-C-N 120.036 1.289 . . . . 20.7 113.39 -165.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 34.6 mt -94.9 149.58 21.09 Favored 'General case' 0 C--O 1.277 2.55 0 O-C-N 125.283 1.615 . . . . 27.92 107.606 173.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 7.1 p -130.19 141.96 45.0 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.365 0 N-CA-C 108.06 -1.089 . . . . 19.47 108.06 176.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -155.71 -170.85 21.57 Favored Glycine 0 C--O 1.254 1.375 0 CA-C-N 113.424 -1.716 . . . . 19.88 114.699 178.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -145.34 130.02 18.05 Favored 'General case' 0 CA--C 1.488 -1.423 0 CA-C-N 113.93 -1.135 . . . . 28.92 108.989 -178.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -119.99 138.16 53.65 Favored 'General case' 0 C--N 1.297 -1.709 0 C-N-CA 125.025 1.33 . . . . 22.02 109.411 178.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 86.5 m -115.69 120.95 41.03 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 124.486 1.116 . . . . 34.23 109.881 168.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -98.95 137.1 37.98 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 112.602 -2.09 . . . . 23.89 113.994 177.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 68.9 p -130.97 160.87 33.27 Favored 'General case' 0 C--O 1.248 0.99 0 CA-C-N 112.661 -2.063 . . . . 36.22 107.875 177.335 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' LYS . . . . . 0.512 ' CD ' ' O ' ' A' ' 352' ' ' HOH . 18.8 mmtt -74.51 -18.34 60.62 Favored 'General case' 0 C--O 1.202 -1.435 0 CA-C-N 114.21 -1.359 . . . . 72.72 114.497 173.539 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 2.5 t -110.62 158.92 10.82 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 N-CA-C 114.676 1.362 . . . . 55.52 114.676 172.913 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.464 -2.35 0 N-CA-C 105.536 -2.024 . . . . 91.07 105.536 167.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' 9CO . . . . . 0.827 ' C21' ' C13' ' A' ' 201' ' ' 9CO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . 0.452 ' O ' ' OD2' ' A' ' 36' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 344' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 345' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 347' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 348' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 349' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 350' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 351' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 352' ' ' HOH . . . . . 0.512 ' O ' ' CD ' ' A' ' 132' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 353' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 354' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 355' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 356' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 357' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 358' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 359' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 360' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 361' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 362' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 363' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 364' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 365' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 366' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 367' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 368' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 369' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 370' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 371' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 372' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.565 1.548 0 CA-C-O 118.922 -0.561 . . . . 131.36000000000001 110.07 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.09 135.15 52.07 Favored Glycine 0 N--CA 1.494 2.513 0 CA-C-N 119.647 1.112 . . . . 59.719999999999999 113.414 171.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 53.7 tpt85 -59.63 -40.56 88.01 Favored 'General case' 0 N--CA 1.508 2.453 0 N-CA-C 114.831 1.419 . . . . 88.030000000000001 114.831 -171.062 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ASP . . . . . 0.465 ' HA ' ' O ' ' A' ' 351' ' ' HOH . 39.3 m-20 -114.47 22.18 13.9 Favored 'General case' 0 CA--C 1.493 -1.248 0 CA-C-N 115.754 -0.657 . . . . 50.229999999999997 110.126 179.025 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -52.16 -48.37 64.96 Favored 'General case' 0 C--O 1.262 1.744 0 CA-C-O 123.471 1.605 . . . . 45.079999999999998 107.889 177.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.86 -43.62 75.03 Favored 'General case' 0 C--O 1.298 3.648 0 CA-C-N 113.716 -1.584 . . . . 43.530000000000001 111.467 -176.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.26 -37.22 93.73 Favored Glycine 0 N--CA 1.511 3.69 0 N-CA-C 109.946 -1.261 . . . . 32.770000000000003 109.946 -176.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 67.6 mt -79.67 -42.05 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.875 0 N-CA-C 115.773 1.768 . . . . 31.239999999999998 115.773 -177.182 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 54.4 m -63.39 132.97 53.18 Favored 'General case' 0 N--CA 1.439 -1.01 0 N-CA-C 107.569 -1.271 . . . . 28.98 107.569 -174.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 141.12 -154.71 24.67 Favored Glycine 0 C--O 1.275 2.67 0 CA-C-N 115.129 -0.941 . . . . 26.149999999999999 113.457 177.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 51.4 m -112.06 129.86 56.07 Favored 'General case' 0 N--CA 1.431 -1.385 0 C-N-CA 124.25 1.02 . . . . 27.539999999999999 108.304 -176.164 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 86.5 m95 -125.57 152.58 44.89 Favored 'General case' 0 N--CA 1.436 -1.14 0 O-C-N 125.423 1.702 . . . . 26.559999999999999 111.859 178.336 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -133.72 134.45 43.04 Favored 'General case' 0 C--O 1.256 1.447 0 N-CA-C 106.719 -1.586 . . . . 27.649999999999999 106.719 -173.099 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 39.7 p30 -104.24 -175.55 2.83 Favored 'General case' 0 CA--C 1.508 -0.672 0 C-N-CA 118.351 -1.34 . . . . 25.120000000000001 113.131 175.5 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.0 pm0 -73.67 -10.3 59.55 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-N 114.495 -1.23 . . . . 25.859999999999999 110.546 -170.124 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.5 mt -94.43 -7.87 40.23 Favored 'General case' 0 C--O 1.254 1.324 0 O-C-N 121.565 -0.71 . . . . 34.600000000000001 109.569 177.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.42 10.53 67.91 Favored Glycine 0 CA--C 1.551 2.327 0 C-N-CA 119.172 -1.49 . . . . 29.440000000000001 115.921 -173.737 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 54.0 m -74.55 156.72 36.54 Favored 'General case' 0 C--O 1.209 -1.033 0 CA-C-O 121.616 0.722 . . . . 25.140000000000001 111.738 172.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.6 m -124.06 127.57 48.05 Favored 'General case' 0 CA--C 1.58 2.121 0 C-N-CA 126.273 1.829 . . . . 33.329999999999998 109.689 -177.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -122.71 120.56 34.0 Favored 'General case' 0 N--CA 1.502 2.161 0 N-CA-C 101.937 -3.357 . . . . 33.82 101.937 -177.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 74.5 mt -114.83 123.78 70.85 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.347 0 C-N-CA 126.152 1.781 . . . . 41.829999999999998 108.111 173.677 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.4 p -140.89 143.1 29.06 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.563 0 O-C-N 124.395 1.059 . . . . 30.149999999999999 112.212 -170.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 76.6 m -112.85 126.92 55.98 Favored 'General case' 0 C--O 1.26 1.653 0 CA-C-N 113.838 -1.528 . . . . 36.630000000000003 109.414 166.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.0 129.38 42.1 Favored 'General case' 0 C--N 1.371 1.519 0 O-C-N 125.079 1.487 . . . . 31.16 109.676 173.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -89.74 158.15 27.02 Favored Glycine 0 N--CA 1.502 3.082 0 N-CA-C 107.918 -2.073 . . . . 30.969999999999999 107.918 179.097 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.77 -25.86 67.72 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 116.848 2.166 . . . . 37.0 116.848 -174.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ASP . . . . . 0.452 ' OD2' ' O ' ' A' ' 301' ' ' HOH . 17.6 p-10 -91.28 -22.33 20.62 Favored 'General case' 0 CA--C 1.559 1.295 0 C-N-CA 129.975 3.31 . . . . 83.349999999999994 112.919 -171.143 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 134.15 -5.08 4.61 Favored Glycine 0 N--CA 1.426 -2.012 0 O-C-N 120.77 -1.207 . . . . 24.469999999999999 114.406 -176.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.48 148.44 45.09 Favored 'General case' 0 N--CA 1.529 3.492 0 C-N-CA 117.649 -1.62 . . . . 29.960000000000001 111.261 -174.775 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 72.8 mt -127.57 131.44 50.0 Favored 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 108.785 -0.82 . . . . 23.890000000000001 108.785 164.024 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 62.0 p -141.6 147.57 37.85 Favored 'General case' 0 N--CA 1.527 3.406 0 N-CA-C 107.836 -1.172 . . . . 38.340000000000003 107.836 178.302 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 175.29 -158.25 25.56 Favored Glycine 0 N--CA 1.404 -3.441 0 C-N-CA 117.042 -2.504 . . . . 21.969999999999999 112.914 -173.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 75.8 p -139.24 153.01 47.76 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-N 113.688 -1.256 . . . . 29.27 109.321 173.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -128.79 138.12 51.9 Favored 'General case' 0 C--O 1.188 -2.179 0 C-N-CA 125.032 1.333 . . . . 22.579999999999998 108.862 178.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -130.48 116.09 17.73 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 105.046 -2.205 . . . . 46.350000000000001 105.046 175.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 47.5 t -89.36 133.42 34.51 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-N 115.447 -0.797 . . . . 24.399999999999999 109.637 -178.046 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.25 -10.87 59.69 Favored 'General case' 0 C--N 1.342 0.245 0 O-C-N 124.246 0.966 . . . . 29.010000000000002 112.58 173.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 32.8 m -132.59 165.7 31.46 Favored 'Isoleucine or valine' 0 C--O 1.293 3.386 0 CA-C-O 121.542 0.687 . . . . 28.300000000000001 111.224 -179.043 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.77 -165.04 45.44 Favored Glycine 0 C--N 1.335 0.527 0 CA-C-N 114.06 -1.427 . . . . 26.050000000000001 113.133 172.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -88.3 75.93 8.45 Favored 'General case' 0 C--O 1.213 -0.866 0 N-CA-C 107.994 -1.113 . . . . 35.560000000000002 107.994 -173.08 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -154.41 139.49 17.39 Favored 'General case' 0 C--O 1.203 -1.352 0 CA-C-N 115.146 -0.934 . . . . 27.859999999999999 109.519 -166.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -146.08 135.64 23.15 Favored 'General case' 0 C--O 1.275 2.41 0 N-CA-C 107.921 -1.14 . . . . 64.810000000000002 107.921 173.761 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.7 t 67.69 -158.41 0.22 Allowed 'General case' 0 CA--C 1.549 0.912 0 O-C-N 124.892 1.37 . . . . 38.229999999999997 112.237 177.268 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.9 mtm-85 -95.4 150.36 20.37 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.141 0.9 . . . . 85.049999999999997 110.367 -172.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -131.43 145.56 51.85 Favored 'General case' 0 N--CA 1.408 -2.546 0 CA-C-N 114.165 -1.379 . . . . 23.719999999999999 107.639 178.235 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 70.0 t -66.92 140.12 19.95 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.383 0 CA-C-N 114.996 -1.002 . . . . 25.879999999999999 111.377 178.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 pp -132.02 145.97 51.78 Favored 'General case' 0 CA--C 1.476 -1.887 0 CA-C-N 115.132 -0.94 . . . . 38.710000000000001 112.923 171.243 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 15.2 t -137.32 155.44 49.42 Favored 'General case' 0 N--CA 1.421 -1.899 0 O-C-N 124.976 1.422 . . . . 30.300000000000001 111.165 173.566 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -172.24 -161.76 23.28 Favored Glycine 0 N--CA 1.478 1.453 0 C-N-CA 117.993 -2.051 . . . . 18.379999999999999 110.668 177.153 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -148.31 149.32 31.63 Favored 'General case' 0 C--O 1.273 2.301 0 CA-C-O 123.545 1.641 . . . . 25.760000000000002 107.029 -174.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -139.11 158.64 43.83 Favored 'General case' 0 C--O 1.21 -1.015 0 N-CA-C 105.735 -1.95 . . . . 29.899999999999999 105.735 175.432 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -77.62 107.09 9.84 Favored 'General case' 0 C--O 1.253 1.276 0 C-N-CA 124.81 1.244 . . . . 25.359999999999999 108.437 175.078 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.9 p -80.89 0.19 36.31 Favored 'General case' 0 C--O 1.256 1.431 0 CA-C-N 115.617 -0.719 . . . . 31.98 112.605 -176.024 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -142.99 68.11 17.82 Favored Pre-proline 0 CA--C 1.558 1.287 0 N-CA-C 106.968 -1.493 . . . . 35.020000000000003 106.968 177.836 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -66.15 169.35 13.82 Favored 'Trans proline' 0 C--N 1.361 1.21 0 CA-C-O 122.893 1.122 . . . . 36.159999999999997 113.465 -177.881 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.7 153.65 42.67 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 105.472 -2.047 . . . . 42.759999999999998 105.472 -178.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 45.6 p -105.39 20.69 18.46 Favored 'General case' 0 C--O 1.176 -2.795 0 O-C-N 121.437 -0.789 . . . . 57.289999999999999 109.964 -173.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 55.3 p30 -103.85 22.14 15.05 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 114.706 1.373 . . . . 50.939999999999998 114.706 -173.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.81 1.09 71.07 Favored Glycine 0 N--CA 1.417 -2.594 0 CA-C-O 118.041 -1.422 . . . . 47.189999999999998 111.729 -179.068 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 70.6 m -71.89 151.77 43.11 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 118.96 1.38 . . . . 38.479999999999997 113.018 174.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.32 -178.96 21.39 Favored Glycine 0 N--CA 1.42 -2.382 0 CA-C-N 115.987 -0.552 . . . . 26.68 112.41 172.366 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 100.0 m -117.23 110.55 18.27 Favored 'General case' 0 N--CA 1.502 2.144 0 CA-C-N 114.388 -0.906 . . . . 28.420000000000002 108.734 -174.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.07 142.84 54.39 Favored 'General case' 0 N--CA 1.427 -1.578 0 CA-C-O 122.733 1.254 . . . . 22.879999999999999 111.239 -176.081 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -160.26 164.27 32.8 Favored 'General case' 0 C--O 1.248 0.995 0 CA-C-N 113.689 -1.596 . . . . 32.240000000000002 110.651 -179.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -156.92 163.87 32.47 Favored Glycine 1 CA--C 1.442 -4.487 0 O-C-N 125.472 1.733 . . . . 19.969999999999999 113.835 169.793 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 39.2 p90 -156.98 164.63 37.81 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 124.697 0.88 . . . . 21.469999999999999 112.16 175.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 71.2 m -127.65 140.27 52.2 Favored 'General case' 0 CA--C 1.457 -2.602 0 C-N-CA 125.357 1.463 . . . . 21.789999999999999 114.701 -178.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.7 t -124.07 125.98 71.64 Favored 'Isoleucine or valine' 0 CA--C 1.481 -1.707 0 C-N-CA 125.196 1.398 . . . . 22.370000000000001 109.544 167.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -98.19 131.63 44.39 Favored 'General case' 0 C--O 1.206 -1.212 0 N-CA-C 105.945 -1.872 . . . . 21.809999999999999 105.945 166.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -82.69 48.4 1.32 Allowed 'General case' 0 CA--C 1.474 -1.971 0 N-CA-C 115.681 1.734 . . . . 24.760000000000002 115.681 -169.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -124.04 131.42 53.55 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 112.281 -2.236 . . . . 35.880000000000003 108.562 172.047 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 55.2 p30 -148.15 -161.68 1.39 Allowed 'General case' 0 CA--C 1.476 -1.892 0 N-CA-C 106.563 -1.644 . . . . 28.449999999999999 106.563 170.157 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -74.8 -12.21 60.34 Favored 'General case' 0 N--CA 1.51 2.554 0 C-N-CA 118.171 -1.412 . . . . 51.810000000000002 113.543 -173.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -97.54 -40.23 8.75 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 116.264 1.95 . . . . 51.659999999999997 116.264 -175.673 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 54.9 mtt180 -148.27 158.53 44.14 Favored 'General case' 0 C--O 1.268 2.076 0 CA-C-O 121.848 0.832 . . . . 52.270000000000003 111.825 -172.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 64.9 t-20 -139.55 107.65 5.74 Favored 'General case' 0 N--CA 1.436 -1.149 0 N-CA-C 106.665 -1.606 . . . . 27.399999999999999 106.665 172.302 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.82 9.9 25.64 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-N 113.4 -1.727 . . . . 25.809999999999999 114.802 -179.206 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 41.64 52.13 3.94 Favored 'General case' 0 C--O 1.277 2.521 0 C-N-CA 124.606 1.162 . . . . 28.68 112.581 179.136 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.8 p -157.94 163.81 37.48 Favored 'General case' 0 CA--C 1.464 -2.352 0 O-C-N 125.786 1.929 . . . . 25.010000000000002 113.351 -174.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -144.58 137.08 26.5 Favored 'General case' 0 C--O 1.262 1.721 0 N-CA-C 108.853 -0.795 . . . . 22.879999999999999 108.853 178.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 77.8 m -108.66 141.94 39.87 Favored 'General case' 0 N--CA 1.434 -1.249 0 O-C-N 124.38 1.05 . . . . 20.190000000000001 110.324 170.849 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 41.6 p -119.28 131.08 55.71 Favored 'General case' 0 C--O 1.265 1.893 0 C-N-CA 124.879 1.272 . . . . 21.329999999999998 107.664 169.16 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 15.0 m-90 -106.69 132.45 52.66 Favored 'General case' 0 C--O 1.2 -1.518 0 N-CA-C 107.294 -1.372 . . . . 21.379999999999999 107.294 174.09 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 42.4 t -125.05 134.62 52.47 Favored 'General case' 0 N--CA 1.516 2.835 0 N-CA-C 104.639 -2.356 . . . . 21.030000000000001 104.639 176.021 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -172.26 -161.01 22.03 Favored Glycine 1 N--CA 1.388 -4.554 0 N-CA-C 117.294 1.678 . . . . 22.629999999999999 117.294 -175.97 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -139.65 140.74 37.01 Favored 'General case' 0 C--O 1.174 -2.88 0 O-C-N 124.631 0.842 . . . . 28.77 112.267 174.417 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -90.2 134.84 34.04 Favored 'General case' 0 C--O 1.285 2.934 0 N-CA-C 106.728 -1.582 . . . . 30.780000000000001 106.728 172.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 23.5 t -122.57 125.35 72.48 Favored 'Isoleucine or valine' 0 C--O 1.268 2.067 0 N-CA-C 106.245 -1.761 . . . . 38.030000000000001 106.245 173.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -86.8 -178.43 49.17 Favored Glycine 0 N--CA 1.495 2.632 0 O-C-N 124.556 1.16 . . . . 44.729999999999997 113.689 -175.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 111.11 -170.11 13.64 Favored Glycine 0 N--CA 1.496 2.688 0 CA-C-N 120.154 1.977 . . . . 54.469999999999999 108.976 173.319 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.24 -28.14 66.97 Favored 'General case' 0 C--O 1.255 1.385 0 N-CA-C 114.66 1.356 . . . . 68.090000000000003 114.66 -166.13 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -116.4 61.83 0.72 Allowed 'General case' 0 C--O 1.259 1.595 0 C-N-CA 126.143 1.777 . . . . 109.63 106.588 174.292 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.81 143.49 56.24 Favored 'General case' 0 C--O 1.263 1.796 0 CA-C-N 115.596 -0.729 . . . . 39.789999999999999 110.722 176.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.6 mtt180 -142.69 147.81 36.3 Favored 'General case' 0 CA--C 1.479 -1.754 0 CA-C-O 122.778 1.275 . . . . 84.189999999999998 108.942 -174.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 65.6 mt -113.94 112.67 41.22 Favored 'Isoleucine or valine' 0 C--O 1.262 1.734 0 CA-C-N 113.654 -1.612 . . . . 25.609999999999999 109.746 159.532 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -98.97 117.15 32.84 Favored 'General case' 0 N--CA 1.516 2.836 0 N-CA-C 106.398 -1.704 . . . . 33.799999999999997 106.398 -176.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 27.5 p -123.59 158.92 30.35 Favored 'General case' 0 C--O 1.281 2.711 0 CA-C-O 123.267 1.508 . . . . 23.0 114.724 -178.673 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -118.96 149.84 40.93 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 112.831 -1.986 . . . . 31.789999999999999 107.901 155.071 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 27.1 p-90 -134.81 152.61 51.9 Favored 'General case' 0 C--O 1.253 1.269 0 N-CA-C 113.868 1.062 . . . . 21.940000000000001 113.868 -175.799 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.3 mt -123.11 124.96 44.27 Favored 'General case' 0 N--CA 1.405 -2.687 0 N-CA-C 105.928 -1.879 . . . . 21.550000000000001 105.928 175.309 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 tt -113.48 104.21 12.05 Favored 'General case' 0 CA--C 1.574 1.903 0 O-C-N 124.345 1.028 . . . . 34.549999999999997 110.248 177.151 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 30.5 m -100.0 131.63 45.84 Favored 'General case' 0 N--CA 1.517 2.896 0 N-CA-C 108.402 -0.962 . . . . 25.690000000000001 108.402 -178.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.6 m -100.52 146.65 26.82 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-O 122.638 1.209 . . . . 28.260000000000002 108.555 171.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.15 128.7 36.98 Favored Glycine 0 C--O 1.223 -0.559 0 C-N-CA 119.772 -1.204 . . . . 31.91 111.558 163.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 42.6 p -138.03 165.51 26.4 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 123.034 0.534 . . . . 29.32 110.243 -175.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 66.8 p -68.42 160.72 29.09 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 116.715 -0.22 . . . . 40.600000000000001 110.51 163.501 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -64.1 -33.88 76.78 Favored 'General case' 0 C--O 1.194 -1.847 0 N-CA-C 107.803 -1.184 . . . . 82.430000000000007 107.803 -177.246 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.62 -41.03 72.91 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 113.177 0.806 . . . . 44.439999999999998 113.177 175.113 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -98.48 5.47 47.98 Favored 'General case' 0 C--O 1.181 -2.515 0 C-N-CA 123.842 0.857 . . . . 48.560000000000002 111.336 -174.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.79 -31.44 71.65 Favored 'General case' 0 C--O 1.262 1.731 0 N-CA-C 114.639 1.348 . . . . 30.920000000000002 114.639 -175.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 51.6 p-90 -53.36 -33.16 52.5 Favored 'General case' 0 C--O 1.215 -0.759 0 CA-C-N 116.289 -0.414 . . . . 29.489999999999998 111.42 177.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -102.78 18.86 20.43 Favored 'General case' 0 C--O 1.214 -0.787 0 C-N-CA 124.925 1.29 . . . . 25.079999999999998 111.43 -174.067 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 97.0 p -74.37 -20.96 59.89 Favored 'General case' 0 C--O 1.206 -1.223 0 N-CA-C 116.736 2.124 . . . . 24.550000000000001 116.736 -173.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 18.2 m -125.44 122.73 37.51 Favored 'General case' 0 C--O 1.25 1.126 0 CA-C-N 120.036 1.289 . . . . 20.699999999999999 113.39 -165.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 34.6 mt -94.9 149.58 21.09 Favored 'General case' 0 C--O 1.277 2.55 0 O-C-N 125.283 1.615 . . . . 27.920000000000002 107.606 173.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 7.1 p -130.19 141.96 45.0 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.365 0 N-CA-C 108.06 -1.089 . . . . 19.469999999999999 108.06 176.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -155.71 -170.85 21.57 Favored Glycine 0 C--O 1.254 1.375 0 CA-C-N 113.424 -1.716 . . . . 19.879999999999999 114.699 178.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -145.34 130.02 18.05 Favored 'General case' 0 CA--C 1.488 -1.423 0 CA-C-N 113.93 -1.135 . . . . 28.920000000000002 108.989 -178.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -119.99 138.16 53.65 Favored 'General case' 0 C--N 1.297 -1.709 0 C-N-CA 125.025 1.33 . . . . 22.02 109.411 178.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 86.5 m -115.69 120.95 41.03 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 124.486 1.116 . . . . 34.229999999999997 109.881 168.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -98.95 137.1 37.98 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 112.602 -2.09 . . . . 23.890000000000001 113.994 177.292 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 68.9 p -130.97 160.87 33.27 Favored 'General case' 0 C--O 1.248 0.99 0 CA-C-N 112.661 -2.063 . . . . 36.219999999999999 107.875 177.335 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' LYS . . . . . 0.512 ' CD ' ' O ' ' A' ' 352' ' ' HOH . 18.8 mmtt -74.51 -18.34 60.62 Favored 'General case' 0 C--O 1.202 -1.435 0 CA-C-N 114.21 -1.359 . . . . 72.719999999999999 114.497 173.539 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 133' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 134' ' ' LYS . 2.5 t -110.62 158.92 10.82 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 N-CA-C 114.676 1.362 . . . . 55.520000000000003 114.676 172.913 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 134' ' ' LYS . . . . . 0.415 ' N ' HG12 ' A' ' 133' ' ' VAL . 0.5 OUTLIER . . . . . 0 CA--C 1.464 -2.35 0 N-CA-C 105.536 -2.024 . . . . 91.069999999999993 105.536 167.47 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 201' ' ' 9CO . . . . . 0.827 ' C13' ' C21' ' A' ' 201' ' ' 9CO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . 0.452 ' O ' ' OD2' ' A' ' 36' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 344' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 345' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 347' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 348' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 349' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 350' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 351' ' ' HOH . . . . . 0.465 ' O ' ' HA ' ' A' ' 13' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 352' ' ' HOH . . . . . 0.512 ' O ' ' CD ' ' A' ' 132' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 353' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 354' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 355' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 356' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 357' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 358' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 359' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 360' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 361' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 362' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 363' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 364' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 365' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 366' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 367' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 368' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 369' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 370' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 371' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 372' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.565 1.548 0 CA-C-O 118.922 -0.561 . . . . 131.36 110.07 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.09 135.15 52.07 Favored Glycine 0 N--CA 1.494 2.513 0 CA-C-N 119.647 1.112 . . . . 59.72 113.414 171.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 53.7 tpt85 -59.63 -40.56 88.01 Favored 'General case' 0 N--CA 1.508 2.453 0 N-CA-C 114.831 1.419 . . . . 88.03 114.831 -171.062 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.465 ' HA ' ' O ' ' A' ' 351' ' ' HOH . 39.3 m-20 -114.47 22.18 13.9 Favored 'General case' 0 CA--C 1.493 -1.248 0 CA-C-N 115.754 -0.657 . . . . 50.23 110.126 179.025 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -52.16 -48.37 64.96 Favored 'General case' 0 C--O 1.262 1.744 0 CA-C-O 123.471 1.605 . . . . 45.08 107.889 177.903 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.86 -43.62 75.03 Favored 'General case' 0 C--O 1.298 3.648 0 CA-C-N 113.716 -1.584 . . . . 43.53 111.467 -176.575 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.26 -37.22 93.73 Favored Glycine 0 N--CA 1.511 3.69 0 N-CA-C 109.946 -1.261 . . . . 32.77 109.946 -176.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 67.6 mt -79.67 -42.05 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.875 0 N-CA-C 115.773 1.768 . . . . 31.24 115.773 -177.182 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 54.4 m -63.39 132.97 53.18 Favored 'General case' 0 N--CA 1.439 -1.01 0 N-CA-C 107.569 -1.271 . . . . 28.98 107.569 -174.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 141.12 -154.71 24.67 Favored Glycine 0 C--O 1.275 2.67 0 CA-C-N 115.129 -0.941 . . . . 26.15 113.457 177.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 51.4 m -112.06 129.86 56.07 Favored 'General case' 0 N--CA 1.431 -1.385 0 C-N-CA 124.25 1.02 . . . . 27.54 108.304 -176.164 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 86.5 m95 -125.57 152.58 44.89 Favored 'General case' 0 N--CA 1.436 -1.14 0 O-C-N 125.423 1.702 . . . . 26.56 111.859 178.336 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -133.72 134.45 43.04 Favored 'General case' 0 C--O 1.256 1.447 0 N-CA-C 106.719 -1.586 . . . . 27.65 106.719 -173.099 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 39.7 p30 -104.24 -175.55 2.83 Favored 'General case' 0 CA--C 1.508 -0.672 0 C-N-CA 118.351 -1.34 . . . . 25.12 113.131 175.5 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.0 pm0 -73.67 -10.3 59.55 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-N 114.495 -1.23 . . . . 25.86 110.546 -170.124 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.5 mt -94.43 -7.87 40.23 Favored 'General case' 0 C--O 1.254 1.324 0 O-C-N 121.565 -0.71 . . . . 34.6 109.569 177.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.42 10.53 67.91 Favored Glycine 0 CA--C 1.551 2.327 0 C-N-CA 119.172 -1.49 . . . . 29.44 115.921 -173.737 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 54.0 m -74.55 156.72 36.54 Favored 'General case' 0 C--O 1.209 -1.033 0 CA-C-O 121.616 0.722 . . . . 25.14 111.738 172.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.6 m -124.06 127.57 48.05 Favored 'General case' 0 CA--C 1.58 2.121 0 C-N-CA 126.273 1.829 . . . . 33.33 109.689 -177.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -122.71 120.56 34.0 Favored 'General case' 0 N--CA 1.502 2.161 0 N-CA-C 101.937 -3.357 . . . . 33.82 101.937 -177.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 74.5 mt -114.83 123.78 70.85 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.347 0 C-N-CA 126.152 1.781 . . . . 41.83 108.111 173.677 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.4 p -140.89 143.1 29.06 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.563 0 O-C-N 124.395 1.059 . . . . 30.15 112.212 -170.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 76.6 m -112.85 126.92 55.98 Favored 'General case' 0 C--O 1.26 1.653 0 CA-C-N 113.838 -1.528 . . . . 36.63 109.414 166.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.0 129.38 42.1 Favored 'General case' 0 C--N 1.371 1.519 0 O-C-N 125.079 1.487 . . . . 31.16 109.676 173.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -89.74 158.15 27.02 Favored Glycine 0 N--CA 1.502 3.082 0 N-CA-C 107.918 -2.073 . . . . 30.97 107.918 179.097 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.77 -25.86 67.72 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 116.848 2.166 . . . . 37.0 116.848 -174.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.452 ' OD2' ' O ' ' A' ' 301' ' ' HOH . 17.6 p-10 -91.28 -22.33 20.62 Favored 'General case' 0 CA--C 1.559 1.295 0 C-N-CA 129.975 3.31 . . . . 83.35 112.919 -171.143 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 134.15 -5.08 4.61 Favored Glycine 0 N--CA 1.426 -2.012 0 O-C-N 120.77 -1.207 . . . . 24.47 114.406 -176.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.48 148.44 45.09 Favored 'General case' 0 N--CA 1.529 3.492 0 C-N-CA 117.649 -1.62 . . . . 29.96 111.261 -174.775 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 72.8 mt -127.57 131.44 50.0 Favored 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 108.785 -0.82 . . . . 23.89 108.785 164.024 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 62.0 p -141.6 147.57 37.85 Favored 'General case' 0 N--CA 1.527 3.406 0 N-CA-C 107.836 -1.172 . . . . 38.34 107.836 178.302 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 175.29 -158.25 25.56 Favored Glycine 0 N--CA 1.404 -3.441 0 C-N-CA 117.042 -2.504 . . . . 21.97 112.914 -173.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 75.8 p -139.24 153.01 47.76 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-N 113.688 -1.256 . . . . 29.27 109.321 173.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -128.79 138.12 51.9 Favored 'General case' 0 C--O 1.188 -2.179 0 C-N-CA 125.032 1.333 . . . . 22.58 108.862 178.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -130.48 116.09 17.73 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 105.046 -2.205 . . . . 46.35 105.046 175.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 47.5 t -89.36 133.42 34.51 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-N 115.447 -0.797 . . . . 24.4 109.637 -178.046 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.25 -10.87 59.69 Favored 'General case' 0 C--N 1.342 0.245 0 O-C-N 124.246 0.966 . . . . 29.01 112.58 173.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 32.8 m -132.59 165.7 31.46 Favored 'Isoleucine or valine' 0 C--O 1.293 3.386 0 CA-C-O 121.542 0.687 . . . . 28.3 111.224 -179.043 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.77 -165.04 45.44 Favored Glycine 0 C--N 1.335 0.527 0 CA-C-N 114.06 -1.427 . . . . 26.05 113.133 172.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -88.3 75.93 8.45 Favored 'General case' 0 C--O 1.213 -0.866 0 N-CA-C 107.994 -1.113 . . . . 35.56 107.994 -173.08 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -154.41 139.49 17.39 Favored 'General case' 0 C--O 1.203 -1.352 0 CA-C-N 115.146 -0.934 . . . . 27.86 109.519 -166.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -146.08 135.64 23.15 Favored 'General case' 0 C--O 1.275 2.41 0 N-CA-C 107.921 -1.14 . . . . 64.81 107.921 173.761 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.7 t 67.69 -158.41 0.22 Allowed 'General case' 0 CA--C 1.549 0.912 0 O-C-N 124.892 1.37 . . . . 38.23 112.237 177.268 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.9 mtm-85 -95.4 150.36 20.37 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.141 0.9 . . . . 85.05 110.367 -172.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -131.43 145.56 51.85 Favored 'General case' 0 N--CA 1.408 -2.546 0 CA-C-N 114.165 -1.379 . . . . 23.72 107.639 178.235 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 70.0 t -66.92 140.12 19.95 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.383 0 CA-C-N 114.996 -1.002 . . . . 25.88 111.377 178.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 pp -132.02 145.97 51.78 Favored 'General case' 0 CA--C 1.476 -1.887 0 CA-C-N 115.132 -0.94 . . . . 38.71 112.923 171.243 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 15.2 t -137.32 155.44 49.42 Favored 'General case' 0 N--CA 1.421 -1.899 0 O-C-N 124.976 1.422 . . . . 30.3 111.165 173.566 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -172.24 -161.76 23.28 Favored Glycine 0 N--CA 1.478 1.453 0 C-N-CA 117.993 -2.051 . . . . 18.38 110.668 177.153 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -148.31 149.32 31.63 Favored 'General case' 0 C--O 1.273 2.301 0 CA-C-O 123.545 1.641 . . . . 25.76 107.029 -174.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -139.11 158.64 43.83 Favored 'General case' 0 C--O 1.21 -1.015 0 N-CA-C 105.735 -1.95 . . . . 29.9 105.735 175.432 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -77.62 107.09 9.84 Favored 'General case' 0 C--O 1.253 1.276 0 C-N-CA 124.81 1.244 . . . . 25.36 108.437 175.078 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.9 p -80.89 0.19 36.31 Favored 'General case' 0 C--O 1.256 1.431 0 CA-C-N 115.617 -0.719 . . . . 31.98 112.605 -176.024 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -142.99 68.11 17.82 Favored Pre-proline 0 CA--C 1.558 1.287 0 N-CA-C 106.968 -1.493 . . . . 35.02 106.968 177.836 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -66.15 169.35 13.82 Favored 'Trans proline' 0 C--N 1.361 1.21 0 CA-C-O 122.893 1.122 . . . . 36.16 113.465 -177.881 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.7 153.65 42.67 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 105.472 -2.047 . . . . 42.76 105.472 -178.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 45.6 p -105.39 20.69 18.46 Favored 'General case' 0 C--O 1.176 -2.795 0 O-C-N 121.437 -0.789 . . . . 57.29 109.964 -173.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 55.3 p30 -103.85 22.14 15.05 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 114.706 1.373 . . . . 50.94 114.706 -173.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.81 1.09 71.07 Favored Glycine 0 N--CA 1.417 -2.594 0 CA-C-O 118.041 -1.422 . . . . 47.19 111.729 -179.068 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 70.6 m -71.89 151.77 43.11 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 118.96 1.38 . . . . 38.48 113.018 174.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.32 -178.96 21.39 Favored Glycine 0 N--CA 1.42 -2.382 0 CA-C-N 115.987 -0.552 . . . . 26.68 112.41 172.366 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 100.0 m -117.23 110.55 18.27 Favored 'General case' 0 N--CA 1.502 2.144 0 CA-C-N 114.388 -0.906 . . . . 28.42 108.734 -174.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.07 142.84 54.39 Favored 'General case' 0 N--CA 1.427 -1.578 0 CA-C-O 122.733 1.254 . . . . 22.88 111.239 -176.081 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -160.26 164.27 32.8 Favored 'General case' 0 C--O 1.248 0.995 0 CA-C-N 113.689 -1.596 . . . . 32.24 110.651 -179.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -156.92 163.87 32.47 Favored Glycine 1 CA--C 1.442 -4.487 0 O-C-N 125.472 1.733 . . . . 19.97 113.835 169.793 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 39.2 p90 -156.98 164.63 37.81 Favored 'General case' 0 C--O 1.216 -0.704 0 O-C-N 124.697 0.88 . . . . 21.47 112.16 175.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 71.2 m -127.65 140.27 52.2 Favored 'General case' 0 CA--C 1.457 -2.602 0 C-N-CA 125.357 1.463 . . . . 21.79 114.701 -178.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.7 t -124.07 125.98 71.64 Favored 'Isoleucine or valine' 0 CA--C 1.481 -1.707 0 C-N-CA 125.196 1.398 . . . . 22.37 109.544 167.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -98.19 131.63 44.39 Favored 'General case' 0 C--O 1.206 -1.212 0 N-CA-C 105.945 -1.872 . . . . 21.81 105.945 166.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -82.69 48.4 1.32 Allowed 'General case' 0 CA--C 1.474 -1.971 0 N-CA-C 115.681 1.734 . . . . 24.76 115.681 -169.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -124.04 131.42 53.55 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 112.281 -2.236 . . . . 35.88 108.562 172.047 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 55.2 p30 -148.15 -161.68 1.39 Allowed 'General case' 0 CA--C 1.476 -1.892 0 N-CA-C 106.563 -1.644 . . . . 28.45 106.563 170.157 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -74.8 -12.21 60.34 Favored 'General case' 0 N--CA 1.51 2.554 0 C-N-CA 118.171 -1.412 . . . . 51.81 113.543 -173.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -97.54 -40.23 8.75 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 116.264 1.95 . . . . 51.66 116.264 -175.673 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 54.9 mtt180 -148.27 158.53 44.14 Favored 'General case' 0 C--O 1.268 2.076 0 CA-C-O 121.848 0.832 . . . . 52.27 111.825 -172.267 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 64.9 t-20 -139.55 107.65 5.74 Favored 'General case' 0 N--CA 1.436 -1.149 0 N-CA-C 106.665 -1.606 . . . . 27.4 106.665 172.302 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.82 9.9 25.64 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-N 113.4 -1.727 . . . . 25.81 114.802 -179.206 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 41.64 52.13 3.94 Favored 'General case' 0 C--O 1.277 2.521 0 C-N-CA 124.606 1.162 . . . . 28.68 112.581 179.136 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.8 p -157.94 163.81 37.48 Favored 'General case' 0 CA--C 1.464 -2.352 0 O-C-N 125.786 1.929 . . . . 25.01 113.351 -174.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -144.58 137.08 26.5 Favored 'General case' 0 C--O 1.262 1.721 0 N-CA-C 108.853 -0.795 . . . . 22.88 108.853 178.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 77.8 m -108.66 141.94 39.87 Favored 'General case' 0 N--CA 1.434 -1.249 0 O-C-N 124.38 1.05 . . . . 20.19 110.324 170.849 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 41.6 p -119.28 131.08 55.71 Favored 'General case' 0 C--O 1.265 1.893 0 C-N-CA 124.879 1.272 . . . . 21.33 107.664 169.16 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 15.0 m-90 -106.69 132.45 52.66 Favored 'General case' 0 C--O 1.2 -1.518 0 N-CA-C 107.294 -1.372 . . . . 21.38 107.294 174.09 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 42.4 t -125.05 134.62 52.47 Favored 'General case' 0 N--CA 1.516 2.835 0 N-CA-C 104.639 -2.356 . . . . 21.03 104.639 176.021 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -172.26 -161.01 22.03 Favored Glycine 1 N--CA 1.388 -4.554 0 N-CA-C 117.294 1.678 . . . . 22.63 117.294 -175.97 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -139.65 140.74 37.01 Favored 'General case' 0 C--O 1.174 -2.88 0 O-C-N 124.631 0.842 . . . . 28.77 112.267 174.417 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -90.2 134.84 34.04 Favored 'General case' 0 C--O 1.285 2.934 0 N-CA-C 106.728 -1.582 . . . . 30.78 106.728 172.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 23.5 t -122.57 125.35 72.48 Favored 'Isoleucine or valine' 0 C--O 1.268 2.067 0 N-CA-C 106.245 -1.761 . . . . 38.03 106.245 173.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -86.8 -178.43 49.17 Favored Glycine 0 N--CA 1.495 2.632 0 O-C-N 124.556 1.16 . . . . 44.73 113.689 -175.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 111.11 -170.11 13.64 Favored Glycine 0 N--CA 1.496 2.688 0 CA-C-N 120.154 1.977 . . . . 54.47 108.976 173.319 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.24 -28.14 66.97 Favored 'General case' 0 C--O 1.255 1.385 0 N-CA-C 114.66 1.356 . . . . 68.09 114.66 -166.13 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -116.4 61.83 0.72 Allowed 'General case' 0 C--O 1.259 1.595 0 C-N-CA 126.143 1.777 . . . . 109.63 106.588 174.292 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.81 143.49 56.24 Favored 'General case' 0 C--O 1.263 1.796 0 CA-C-N 115.596 -0.729 . . . . 39.79 110.722 176.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.6 mtt180 -142.69 147.81 36.3 Favored 'General case' 0 CA--C 1.479 -1.754 0 CA-C-O 122.778 1.275 . . . . 84.19 108.942 -174.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 65.6 mt -113.94 112.67 41.22 Favored 'Isoleucine or valine' 0 C--O 1.262 1.734 0 CA-C-N 113.654 -1.612 . . . . 25.61 109.746 159.532 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -98.97 117.15 32.84 Favored 'General case' 0 N--CA 1.516 2.836 0 N-CA-C 106.398 -1.704 . . . . 33.8 106.398 -176.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 27.5 p -123.59 158.92 30.35 Favored 'General case' 0 C--O 1.281 2.711 0 CA-C-O 123.267 1.508 . . . . 23.0 114.724 -178.673 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -118.96 149.84 40.93 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 112.831 -1.986 . . . . 31.79 107.901 155.071 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 27.1 p-90 -134.81 152.61 51.9 Favored 'General case' 0 C--O 1.253 1.269 0 N-CA-C 113.868 1.062 . . . . 21.94 113.868 -175.799 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.3 mt -123.11 124.96 44.27 Favored 'General case' 0 N--CA 1.405 -2.687 0 N-CA-C 105.928 -1.879 . . . . 21.55 105.928 175.309 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 tt -113.48 104.21 12.05 Favored 'General case' 0 CA--C 1.574 1.903 0 O-C-N 124.345 1.028 . . . . 34.55 110.248 177.151 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 30.5 m -100.0 131.63 45.84 Favored 'General case' 0 N--CA 1.517 2.896 0 N-CA-C 108.402 -0.962 . . . . 25.69 108.402 -178.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.6 m -100.52 146.65 26.82 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-O 122.638 1.209 . . . . 28.26 108.555 171.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.15 128.7 36.98 Favored Glycine 0 C--O 1.223 -0.559 0 C-N-CA 119.772 -1.204 . . . . 31.91 111.558 163.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 42.6 p -138.03 165.51 26.4 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 123.034 0.534 . . . . 29.32 110.243 -175.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 66.8 p -68.42 160.72 29.09 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 116.715 -0.22 . . . . 40.6 110.51 163.501 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -64.1 -33.88 76.78 Favored 'General case' 0 C--O 1.194 -1.847 0 N-CA-C 107.803 -1.184 . . . . 82.43 107.803 -177.246 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.62 -41.03 72.91 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 113.177 0.806 . . . . 44.44 113.177 175.113 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -98.48 5.47 47.98 Favored 'General case' 0 C--O 1.181 -2.515 0 C-N-CA 123.842 0.857 . . . . 48.56 111.336 -174.35 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.79 -31.44 71.65 Favored 'General case' 0 C--O 1.262 1.731 0 N-CA-C 114.639 1.348 . . . . 30.92 114.639 -175.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 51.6 p-90 -53.36 -33.16 52.5 Favored 'General case' 0 C--O 1.215 -0.759 0 CA-C-N 116.289 -0.414 . . . . 29.49 111.42 177.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -102.78 18.86 20.43 Favored 'General case' 0 C--O 1.214 -0.787 0 C-N-CA 124.925 1.29 . . . . 25.08 111.43 -174.067 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 97.0 p -74.37 -20.96 59.89 Favored 'General case' 0 C--O 1.206 -1.223 0 N-CA-C 116.736 2.124 . . . . 24.55 116.736 -173.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 18.2 m -125.44 122.73 37.51 Favored 'General case' 0 C--O 1.25 1.126 0 CA-C-N 120.036 1.289 . . . . 20.7 113.39 -165.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 34.6 mt -94.9 149.58 21.09 Favored 'General case' 0 C--O 1.277 2.55 0 O-C-N 125.283 1.615 . . . . 27.92 107.606 173.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 7.1 p -130.19 141.96 45.0 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.365 0 N-CA-C 108.06 -1.089 . . . . 19.47 108.06 176.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -155.71 -170.85 21.57 Favored Glycine 0 C--O 1.254 1.375 0 CA-C-N 113.424 -1.716 . . . . 19.88 114.699 178.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -145.34 130.02 18.05 Favored 'General case' 0 CA--C 1.488 -1.423 0 CA-C-N 113.93 -1.135 . . . . 28.92 108.989 -178.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -119.99 138.16 53.65 Favored 'General case' 0 C--N 1.297 -1.709 0 C-N-CA 125.025 1.33 . . . . 22.02 109.411 178.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 86.5 m -115.69 120.95 41.03 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 124.486 1.116 . . . . 34.23 109.881 168.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -98.95 137.1 37.98 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 112.602 -2.09 . . . . 23.89 113.994 177.292 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 68.9 p -130.97 160.87 33.27 Favored 'General case' 0 C--O 1.248 0.99 0 CA-C-N 112.661 -2.063 . . . . 36.22 107.875 177.335 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.512 ' CD ' ' O ' ' A' ' 352' ' ' HOH . 18.8 mmtt -74.51 -18.34 60.62 Favored 'General case' 0 C--O 1.202 -1.435 0 CA-C-N 114.21 -1.359 . . . . 72.72 114.497 173.539 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 134' ' ' LYS . 2.5 t -110.62 158.92 10.82 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 N-CA-C 114.676 1.362 . . . . 55.52 114.676 172.913 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.415 ' N ' HG12 ' A' ' 133' ' ' VAL . 0.5 OUTLIER . . . . . 0 CA--C 1.464 -2.35 0 N-CA-C 105.536 -2.024 . . . . 91.07 105.536 167.47 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' 9CO . . . . . 0.827 ' C21' ' C13' ' A' ' 201' ' ' 9CO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.452 ' O ' ' OD2' ' A' ' 36' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 344' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 345' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 347' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 348' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 349' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 350' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 351' ' ' HOH . . . . . 0.465 ' O ' ' HA ' ' A' ' 13' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 352' ' ' HOH . . . . . 0.512 ' O ' ' CD ' ' A' ' 132' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 353' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 354' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 355' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 356' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 357' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 358' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 359' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 360' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 361' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 362' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 363' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 364' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 365' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 366' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 367' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 368' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 369' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 370' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 371' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 372' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_