# EXCLUDED_RESIDUES HETATM # PDBID_LIST 3bqd # POINT_FILE ../DUDE/pocket_res_ptf_dude_crys/3bqd_POC.ptf # PROPERTIES ATOM_TYPE_IS_C, ATOM_TYPE_IS_CT, ATOM_TYPE_IS_CA, # PROPERTIES ATOM_TYPE_IS_N, ATOM_TYPE_IS_N2, ATOM_TYPE_IS_N3, # PROPERTIES ATOM_TYPE_IS_NA, ATOM_TYPE_IS_O, ATOM_TYPE_IS_O2, # PROPERTIES ATOM_TYPE_IS_OH, ATOM_TYPE_IS_S, ATOM_TYPE_IS_SH, # PROPERTIES ATOM_TYPE_IS_OTHER, PARTIAL_CHARGE, ELEMENT_IS_ANY, # PROPERTIES ELEMENT_IS_C, ELEMENT_IS_N, ELEMENT_IS_O, ELEMENT_IS_S, # PROPERTIES ELEMENT_IS_OTHER, HYDROXYL, AMIDE, AMINE, CARBONYL, # PROPERTIES RING_SYSTEM, PEPTIDE, VDW_VOLUME, CHARGE, NEG_CHARGE, # PROPERTIES POS_CHARGE, CHARGE_WITH_HIS, HYDROPHOBICITY, MOBILITY, # PROPERTIES SOLVENT_ACCESSIBILITY, RESIDUE_NAME_IS_ALA, # PROPERTIES RESIDUE_NAME_IS_ARG, RESIDUE_NAME_IS_ASN, RESIDUE_NAME_IS_ASP, # PROPERTIES RESIDUE_NAME_IS_CYS, RESIDUE_NAME_IS_GLN, RESIDUE_NAME_IS_GLU, # PROPERTIES RESIDUE_NAME_IS_GLY, RESIDUE_NAME_IS_HIS, RESIDUE_NAME_IS_ILE, # PROPERTIES RESIDUE_NAME_IS_LEU, RESIDUE_NAME_IS_LYS, RESIDUE_NAME_IS_MET, # PROPERTIES RESIDUE_NAME_IS_PHE, RESIDUE_NAME_IS_PRO, RESIDUE_NAME_IS_SER, # PROPERTIES RESIDUE_NAME_IS_THR, RESIDUE_NAME_IS_TRP, RESIDUE_NAME_IS_TYR, # PROPERTIES RESIDUE_NAME_IS_VAL, RESIDUE_NAME_IS_HOH, # PROPERTIES RESIDUE_NAME_IS_OTHER, RESIDUE_CLASS1_IS_HYDROPHOBIC, # PROPERTIES RESIDUE_CLASS1_IS_CHARGED, RESIDUE_CLASS1_IS_POLAR, # PROPERTIES RESIDUE_CLASS1_IS_UNKNOWN, RESIDUE_CLASS2_IS_NONPOLAR, # PROPERTIES RESIDUE_CLASS2_IS_POLAR, RESIDUE_CLASS2_IS_BASIC, # PROPERTIES RESIDUE_CLASS2_IS_ACIDIC, RESIDUE_CLASS2_IS_UNKNOWN, # PROPERTIES SECONDARY_STRUCTURE1_IS_3HELIX, SECONDARY_STRUCTURE1_IS_4HELIX, # PROPERTIES SECONDARY_STRUCTURE1_IS_5HELIX, SECONDARY_STRUCTURE1_IS_BRIDGE, # PROPERTIES SECONDARY_STRUCTURE1_IS_STRAND, SECONDARY_STRUCTURE1_IS_TURN, # PROPERTIES SECONDARY_STRUCTURE1_IS_BEND, SECONDARY_STRUCTURE1_IS_COIL, # PROPERTIES SECONDARY_STRUCTURE1_IS_HET, SECONDARY_STRUCTURE1_IS_UNKNOWN, # PROPERTIES SECONDARY_STRUCTURE2_IS_HELIX, SECONDARY_STRUCTURE2_IS_BETA, # PROPERTIES SECONDARY_STRUCTURE2_IS_COIL, SECONDARY_STRUCTURE2_IS_HET, # PROPERTIES SECONDARY_STRUCTURE2_IS_UNKNOWN # SHELLS 6 # SHELL_WIDTH 1.25 # VERBOSITY 0 Env_3bqd_0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 -0.6869 6 6 0 0 0 0 0 0 0 0 6 0 153.184 0 0 0 0 6 21 144 0 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 6 0 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0342 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 24 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 1 9 0 2 0 0 0 1 0 0 0 0 0 -1.332 13 10 2 1 0 0 0 2 0 1 0 6 374.868 0 0 0 0 4 14 274 0 0 0 0 0 0 0 0 0 6 5 0 0 2 0 0 0 0 0 0 0 0 13 0 0 0 13 0 0 0 0 0 13 0 0 0 0 0 0 0 0 13 0 0 0 0 5 11 3 2 0 0 0 6 0 0 0 1 0 -2.8092 28 19 2 6 1 0 0.5 2 0 6 3 17 733.54 0 0 0 0 0 21 834 0 0 3 0 5 4 0 0 0 8 2 0 0 2 0 0 0 0 4 0 0 0 12 0 16 0 12 16 0 0 0 0 28 0 0 0 0 0 0 0 0 28 0 0 0 0 6 10 4 8 0 0 1 3 0 1 0 0 0 -3.7342 33 20 9 4 0 0 1 8 1 3 6 17 801.696 0 0 0 0 -3 45 1598 0 0 4 0 1 4 0 0 0 3 5 0 0 2 2 1 1 2 8 0 0 0 12 0 21 0 14 19 0 0 0 0 33 0 0 0 0 0 0 0 0 33 0 0 0 0 # 39.4642 17.4018 7.3865 # PHE 213 Env_3bqd_1 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.1102 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 12 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 1 2 0 1 0 0 0 0 0 0 0 0 0 0.4829 4 3 1 0 0 0 0 1 0 0 0 3 114.667 0 0 0 0 0 2 48 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 4 0 0 0 0 0 4 0 0 0 0 0 0 0 0 4 0 0 0 0 1 2 0 1 0 0 0 2 0 0 0 0 0 -1.7782 6 3 1 2 0 0 0 1 0 2 0 4 137.655 0 0 0 0 -1 6 104 0 0 1 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 1 0 0 5 0 1 0 5 1 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 2 5 0 0 0 0 0 2 0 0 1 0 0 -0.3918 10 7 0 2 1 0 0 0 0 2 0 7 284.079 0 0 0 0 1 9 217 0 0 2 0 0 0 0 0 0 0 1 0 3 0 0 0 0 0 0 4 0 0 8 0 2 0 8 2 0 0 0 0 10 0 0 0 0 0 0 0 0 10 0 0 0 0 2 17 3 5 0 0 0 3 0 0 0 0 0 -3.7949 30 22 5 3 0 0 0 5 0 3 3 12 815.478 0 0 0 0 7 32 1115 1 0 3 0 1 1 4 0 3 0 4 0 4 0 0 0 0 0 3 6 0 0 15 4 11 0 15 8 3 4 0 0 30 0 0 0 0 0 0 0 0 30 0 0 0 0 7 13 3 6 0 0 2 3 0 0 1 1 0 -2.9043 36 23 8 3 2 0 0.5 7 1 3 5 22 948.244 0 0 0 1 -4 35 1362 2 0 5 0 3 3 2 0 6 0 2 0 6 0 0 1 0 0 4 2 0 0 12 2 22 0 12 16 6 2 0 0 36 0 0 0 0 0 0 0 0 36 0 0 0 0 # 44.072 25.439 5.538 # LEU 208 Env_3bqd_2 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.1102 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 24 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 2 0 1 0 0 0 0 0 0 0 0 0 0.4829 4 3 1 0 0 0 0 1 0 0 0 3 114.667 0 0 0 0 0 2 96 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 4 0 0 1 2 0 1 0 0 0 2 0 0 0 0 0 -1.8189 6 3 1 2 0 0 0 1 0 2 0 3 137.655 0 0 0 0 -1 10 317 0 0 0 0 0 1 0 0 0 0 3 0 0 0 0 0 0 0 1 1 0 0 4 0 2 0 4 2 0 0 0 0 1 0 0 0 0 0 5 0 0 1 0 5 0 0 2 3 1 1 2 0 0 3 0 0 0 0 0 -2.7843 12 6 3 3 0 0 0 2 1 3 0 6 282.967 0.999 0 0.999 0.999 -5 27 1156 0 3 0 0 0 2 1 0 0 0 1 0 0 0 0 0 0 0 3 2 0 0 3 4 5 0 3 5 3 1 0 0 6 0 0 0 0 0 6 0 0 6 0 6 0 0 2 9 2 3 2 0 0 1 0 0 0 0 0 -2.4732 19 13 5 1 0 0 0 3.5 1.5 1 2 7 514.623 0.333 0 0.333 0.333 4 28 1372 2 4 0 0 0 3 1 0 0 0 2 0 0 1 0 0 0 0 3 3 0 0 8 5 6 0 8 6 4 1 0 0 9 0 0 2 0 0 8 0 0 9 2 8 0 0 5 15 3 1 1 0 0 2 2 0 0 0 0 -1.3082 29 23 2 4 0 0 0 1.5 0.5 3 2 12 820.718 1.665 0.999 0.666 1.665 4 43 2083 6 6 0 1 0 2 5 0 0 0 4 0 0 1 1 0 0 0 2 1 0 0 13 12 4 0 13 4 6 6 0 0 13 0 0 3 2 0 11 0 0 13 5 11 0 0 # 31.318 39.31 8.477 # LEU 20 Env_3bqd_3 0 0 0 0 0 0 0 0 0 0 1 0 0 -0.2736 1 0 0 0 1 0 0 0 0 0 0 0 26.521 0 0 0 0 1 3 17 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 -0.0518 2 2 0 0 0 0 0 0 0 0 0 0 67.02 0 0 0 0 2 6 34 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 -0.5744 2 1 0 1 0 0 0 0 0 1 0 0 45.004 0 0 0 0 0 5 50 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 1 0 1 1 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 2 5 2 2 0 0 0 1 0 0 0 0 0 -1.4714 12 9 2 1 0 0 0 2 0 1 2 5 324.741 0 0 0 0 2 23 546 0 0 0 0 0 2 0 0 0 2 0 0 2 0 0 0 3 3 0 0 0 0 4 0 8 0 7 5 0 0 0 0 10 0 0 0 0 0 2 0 0 10 0 2 0 0 3 9 2 2 0 0 0 3 0 1 1 0 0 -1.6162 21 14 2 4 1 0 1 2 0 3 2 9 555.654 0 0 0 0 2 25 1101 0 0 0 0 2 1 0 0 0 3 0 0 3 0 0 0 6 6 0 0 0 0 6 0 15 0 12 9 0 0 0 0 16 0 0 0 3 0 2 0 0 16 3 2 0 0 3 13 5 5 0 0 0 4 0 2 0 1 0 -5.5727 33 21 5 6 1 0 2.5 5 0 4 5 15 831.738 0 0 0 0 -2 44 1627 0 3 3 0 3 1 0 0 0 7 0 0 4 0 0 0 5 4 3 0 0 0 11 3 19 0 15 15 3 0 0 0 25 0 0 0 7 0 1 0 0 25 7 1 0 0 # 44.326 26.885 17.18 # MET 36 Env_3bqd_4 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0252 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 17 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 2 0 0 2 0 0 0 1 0 0 0 0 0 -0.2047 5 2 2 1 0 0 0 2 0 1 0 5 106.788 0 0 0 0 -3 0 72 0 0 0 0 0 0 0 4 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 4 1 4 0 0 0 0 5 0 0 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 -1.7037 3 0 0 3 0 0 0 0 0 3 0 3 34.482 0 0 0 0 -3 0 74 0 0 1 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 2 0 1 0 2 1 0 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 4 8 0 3 0 0 0 1 0 0 0 0 0 0.4033 16 12 3 1 0 0 0 3 0 1 0 12 456.025 0 0 0 0 0 7 518 0 1 2 0 0 3 0 2 0 0 6 0 2 0 0 0 0 0 0 0 0 0 8 1 5 2 8 7 1 0 0 0 16 0 0 0 0 0 0 0 0 16 0 0 0 0 3 16 0 4 0 0 0 1 0 0 1 0 0 -2.5423 25 19 4 1 1 0 0 4 0 1 0 10 728.614 0 0 0 0 8 34 993 0 4 2 0 0 4 0 1 0 0 5 0 4 0 1 0 0 0 0 4 0 0 14 4 6 1 14 7 4 0 0 0 24 0 0 0 0 0 1 0 0 24 0 1 0 0 3 9 4 2 0 0 0 5 0 0 0 0 0 -3.4499 23 16 2 5 0 0 0 2 0 5 4 7 581.017 0 0 0 0 5 42 828 0 1 2 0 0 2 0 0 0 1 4 0 3 1 2 0 2 3 0 2 0 0 13 1 9 0 16 6 1 0 0 0 19 0 0 1 0 0 3 0 0 19 1 3 0 0 # 34.409 31.273 10.129 # GLY 43 Env_3bqd_5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 -0.6869 6 6 0 0 0 0 0 0 0 0 6 0 153.184 0 0 0 0 6 21 174 0 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 6 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 6 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 -0.9532 2 1 1 0 0 0 0 1 0 0 0 0 57.939 0 0 0 0 0 4 59 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 1 0 1 1 0 0 0 0 1 0 0 0 0 0 1 0 0 1 0 1 0 0 2 7 3 2 0 0 0 4 0 0 0 0 0 -3.0495 18 12 2 4 0 0 0 2 0 4 3 8 436.53 0 0 0 0 2 23 769 0 0 3 0 1 0 2 0 0 3 0 0 0 8 0 0 1 0 0 0 0 0 11 2 5 0 11 5 0 2 0 0 12 0 0 0 0 0 6 0 0 12 0 6 0 0 5 11 2 2 0 0 0 3 0 0 0 1 0 0.3564 24 18 2 3 1 0 0.5 2 0 3 2 15 678.479 0 0 0 0 0 20 779 0 0 1 0 3 0 2 0 0 4 2 0 0 6 2 0 4 0 0 0 0 0 14 2 8 0 14 8 0 2 0 0 15 0 0 0 0 0 9 0 0 15 0 9 0 0 3 13 2 7 0 0 0 6 0 1 0 0 0 -6.1801 32 18 7 7 0 0 1 7 0 6 2 19 774.282 0 0 0 0 -3 30 915 3 0 3 0 2 0 1 0 0 5 4 0 3 4 3 0 2 1 1 0 0 0 22 1 9 0 23 8 0 1 0 0 25 0 0 0 0 0 7 0 0 25 0 7 0 0 # 36.9093 23.4568 14.5 # PHE 225 Env_3bqd_6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 -0.5471 6 6 0 0 0 0 0 0 0 0 6 0 147.242 0 0 0 0 5 27 132 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 6 0 6 0 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 2 0 0 0 1 0 0 0 0 0 0 -0.647 3 2 1 0 0 0 0 0 1 0 3 0 67.679 0 0 0 0 0 9 66 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 3 0 3 0 0 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 1 8 0 1 0 0 0 1 0 0 1 0 0 -1.1133 12 9 1 1 1 0 0 1 0 1 0 5 353.742 0 0 0 0 5 16 221 0 0 0 0 0 0 0 0 0 0 2 0 5 0 0 0 0 4 0 1 0 0 8 0 4 0 12 0 0 0 0 0 12 0 0 0 0 0 0 0 0 12 0 0 0 0 1 10 0 1 0 0 0 1 0 0 0 1 0 -1.7254 14 11 1 1 1 0 0.5 1 0 1 0 3 420.762 0 0 0 0 7 22 204 0 0 0 0 1 0 0 0 0 3 3 0 5 0 0 0 0 1 0 1 0 0 12 0 2 0 13 1 0 0 0 0 14 0 0 0 0 0 0 0 0 14 0 0 0 0 4 15 2 3 0 0 0 5 0 0 1 0 0 -3.3172 30 21 3 5 1 0 0 3 0 5 2 17 816.134 0 0 0 0 4 32 333 0 0 0 0 1 2 0 1 0 9 6 0 4 2 0 3 0 0 0 2 0 0 23 0 6 1 23 7 0 0 0 0 29 0 0 0 0 0 1 0 0 29 0 1 0 0 # 35.8942 24.9313 5.98467 # TRP 76 Env_3bqd_7 1 0 0 1 0 0 0 1 0 0 0 0 0 -0.7992 3 1 1 1 0 0 0 1 0 1 0 0 56.502 0 0 0 0 -2 8 90 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 3 0 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.204 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 30 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 2 1 0 0 0 1 0 0 0 0 0 -1.2467 5 3 1 1 0 0 0 1 0 1 2 3 112.183 0 0 0 0 0 9 135 0 0 2 0 0 0 0 0 0 0 0 0 1 2 0 0 0 0 0 0 0 0 3 0 2 0 3 2 0 0 0 0 3 0 0 0 0 0 2 0 0 3 0 2 0 0 4 2 4 0 0 0 0 3 0 0 0 0 0 -0.1218 13 10 0 3 0 0 0 0 0 3 4 8 335.684 0 0 0 0 2 14 555 0 0 2 0 0 0 2 0 0 1 1 0 1 5 0 0 1 0 0 0 0 0 8 2 3 0 8 3 0 2 0 0 5 0 0 0 0 0 8 0 0 5 0 8 0 0 3 12 0 6 0 0 0 2 0 0 0 0 0 -2.5221 23 15 6 2 0 0 0 6 0 2 0 15 610.46 0 0 0 0 -1 14 872 0 0 0 0 0 0 2 0 0 3 5 0 4 3 2 0 4 0 0 0 0 0 17 2 4 0 17 4 0 2 0 0 13 0 0 0 0 0 10 0 0 13 0 10 0 0 3 21 1 5 0 0 0 4 0 2 2 1 0 -4.5354 39 25 5 6 3 0 2.5 5 0 4 1 17 1061.3 0 0 0 0 4 44 1260 0 0 0 0 4 0 1 3 0 6 5 0 8 2 1 0 9 0 0 0 0 0 22 1 13 3 22 16 0 1 0 0 33 0 0 0 0 0 6 0 0 33 0 6 0 0 # 37.906 26.947 14.532 # ASN 40 Env_3bqd_8 0 0 0 0 0 0 0 0 0 1 0 0 0 -0.6761 1 0 0 1 0 0 1 0 0 0 0 0 17.157 0 0 0 0 -1 2 61 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0.0828 3 3 0 0 0 0 0 0 0 0 0 1 100.53 0 0 0 0 1 3 183 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 3 0 0 3 0 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 -0.4077 3 1 1 1 0 0 0 1 0 1 0 3 59.141 0 0 0 0 -2 0 272 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 1 2 0 0 2 1 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 3 5 0 2 0 0 0 3 0 0 0 0 0 -0.604 13 8 2 3 0 0 0 2 0 3 0 11 330.836 0 0 0 0 -4 2 696 0 3 0 0 0 0 0 0 0 4 1 0 0 0 0 0 5 0 0 0 0 0 5 3 5 0 5 5 3 0 0 0 13 0 0 0 0 0 0 0 0 13 0 0 0 0 1 9 0 3 0 0 0 2 0 1 0 0 0 -2.8692 16 10 3 3 0 0 1 3 0 2 0 8 417.656 0 0 0 0 -1 16 865 0 3 0 0 0 0 0 0 0 1 2 0 4 0 2 0 3 1 0 0 0 0 9 3 4 0 10 3 3 0 0 0 13 0 0 1 0 0 2 0 0 13 1 2 0 0 2 13 1 4 2 0 0 2 1 0 0 0 0 -3.3538 25 16 6 3 0 0 0 4.5 1.5 2.5 0 9 661.91 0.999 0.333 0.666 0.999 3 40 1516 0 3 1 1 0 0 0 0 0 3 6 0 5 0 2 1 0 1 1 1 0 0 17 4 4 0 18 3 3 1 0 0 18 0 0 1 0 0 6 0 0 18 1 6 0 0 # 38.069 34.329 19.712 # THR 38 Env_3bqd_9 0 0 0 0 0 0 0 0 0 0 1 0 0 -0.2736 1 0 0 0 1 0 0 0 0 0 0 0 26.521 0 0 0 0 1 3 69 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 -0.0518 2 2 0 0 0 0 0 0 0 0 0 0 67.02 0 0 0 0 2 6 138 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0.0105 2 2 0 0 0 0 0 0 0 0 0 1 67.02 0 0 0 0 1 1 138 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 3 4 0 2 0 0 0 3 0 0 0 0 0 -0.5779 12 7 2 3 0 0 0 2 0 3 0 9 297.326 0 0 0 0 -3 4 467 0 0 2 0 0 0 0 0 0 0 0 0 3 1 5 0 1 0 0 0 0 0 9 0 3 0 9 3 0 0 0 0 6 0 0 0 0 0 6 0 0 6 0 6 0 0 3 5 0 2 0 0 0 3 1 0 0 0 0 -2.0242 14 8 2 4 0 0 0 2 0 3.5 0 10 344.973 0.333 0.333 0 0.333 -3 8 809 0 0 2 0 0 0 4 0 0 0 1 0 0 3 1 0 3 0 0 0 0 0 5 4 5 0 5 5 0 4 0 0 6 0 0 0 0 0 8 0 0 6 0 8 0 0 5 9 0 7 0 0 0 2 1 1 0 0 0 -2.1694 25 14 7 4 0 0 1 7 0 2.5 0 17 596.519 0.666 0.666 0 0.666 -8 17 1425 0 1 2 0 0 0 6 3 0 0 5 0 0 1 1 0 6 0 0 0 0 0 7 7 8 3 7 11 1 6 0 0 18 0 0 0 0 0 7 0 0 18 0 7 0 0 # 31.727 29.822 17.599 # MET 41 Env_3bqd_10 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.1825 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 -0.3819 2 1 1 0 0 0 0 1 0 0 0 2 47.647 0 0 0 0 -1 0 8 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 2 1 0 1 0 0 0 2 0 0 0 0 0 -0.769 6 3 1 2 0 0 0 1 0 2 0 5 137.655 0 0 0 0 -2 3 78 2 0 0 0 0 0 0 0 0 0 1 0 2 1 0 0 0 0 0 0 0 0 6 0 0 0 6 0 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 2 5 0 0 0 0 0 2 0 0 0 0 0 -0.6308 9 7 0 2 0 0 0 0 0 2 0 7 257.558 0 0 0 0 0 4 106 0 0 0 0 0 0 0 0 0 0 0 0 3 1 0 3 0 0 0 2 0 0 6 0 3 0 6 3 0 0 0 0 9 0 0 0 0 0 0 0 0 9 0 0 0 0 3 21 0 7 0 0 0 2 0 1 2 0 0 -4.1445 36 24 7 3 2 0 1 7 0 2 0 16 996.386 0 0 0 0 8 37 452 1 0 0 0 0 0 0 1 1 0 10 0 11 2 0 3 0 0 0 7 0 0 31 0 4 1 31 4 1 0 0 0 36 0 0 0 0 0 0 0 0 36 0 0 0 0 7 18 2 3 0 0 0 5 0 0 1 0 0 -1.0641 36 27 3 5 1 0 0 3 0 5 2 21 1011.25 0 0 0 0 7 36 506 2 0 0 0 0 0 0 1 2 0 4 0 14 3 0 0 0 2 0 8 0 0 31 0 4 1 33 1 2 0 0 0 36 0 0 0 0 0 0 0 0 36 0 0 0 0 # 42.378 29.862 1.825 # ALA 81 Env_3bqd_11 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.1102 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 6 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 2 0 1 0 0 0 0 0 0 0 0 0 -0.1143 3 2 1 0 0 0 0 1 0 0 0 2 81.157 0 0 0 0 0 2 18 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 3 0 0 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 2 2 0 1 0 0 0 1 0 0 0 0 0 -0.6131 6 4 1 1 0 0 0 1 0 1 0 4 159.671 0 0 0 0 0 6 59 1 0 0 0 0 0 0 0 0 0 4 0 1 0 0 0 0 0 0 0 0 0 6 0 0 0 6 0 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 1 5 0 2 0 0 0 2 0 0 0 0 0 -1.2006 10 6 2 2 0 0 0 2 0 2 0 8 252.322 0 0 0 0 -3 3 217 1 0 0 0 0 0 0 1 0 0 0 0 3 0 5 0 0 0 0 0 0 0 9 0 0 1 9 1 0 0 0 0 5 0 0 0 0 0 5 0 0 5 0 5 0 0 5 16 4 4 0 0 0 5 0 0 0 0 0 -2.8206 34 25 4 5 0 0 0 4 0 5 4 17 917.87 0 0 0 0 8 38 1071 2 0 1 0 0 0 5 5 0 6 0 0 2 6 2 0 0 2 0 3 0 0 21 5 3 5 23 6 0 5 0 0 26 0 0 0 0 0 8 0 0 26 0 8 0 0 4 12 8 5 0 0 1 3 0 0 1 0 0 -3.2526 34 24 6 3 1 0 0 5 1 3 9 16 875.78 0 0 0 0 5 52 1051 1 1 5 0 0 0 4 2 0 6 0 0 3 5 0 0 0 5 0 2 0 0 17 5 10 2 22 7 1 4 0 0 31 0 0 0 0 0 3 0 0 31 0 3 0 0 # 31.773 25.287 10.663 # LEU 229 Env_3bqd_12 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0252 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 10 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 2 0 0 2 0 0 0 1 0 0 0 0 0 -0.137 5 2 2 1 0 0 0 2 0 1 0 5 106.788 0 0 0 0 -3 0 162 0 1 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 4 0 4 1 0 0 0 5 0 0 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 -0.5679 1 0 0 1 0 0 0 0 0 1 0 1 11.494 0 0 0 0 -1 0 17 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 3 12 0 3 0 0 0 3 0 0 0 0 0 -1.4314 21 15 3 3 0 0 0 3 0 3 0 11 579.543 0 0 0 0 3 16 838 0 4 1 0 0 1 0 2 0 0 5 0 2 0 3 0 0 0 0 3 0 0 13 4 2 2 13 4 4 0 0 0 18 0 0 0 0 0 3 0 0 18 0 3 0 0 3 12 0 5 0 0 0 1 0 0 0 0 0 -1.6724 21 15 5 1 0 0 0 5 0 1 0 15 584.829 0 0 0 0 0 12 743 0 1 1 0 0 3 0 0 0 4 5 0 2 0 2 0 0 0 0 3 0 0 16 1 4 0 16 4 1 0 0 0 19 0 0 0 0 0 2 0 0 19 0 2 0 0 5 12 0 5 1 0 0 4 0 0 2 0 0 -2.5851 29 17 6 4 2 0 0 5 1 4 0 17 759.952 0 0 0 0 0 27 1109 2 2 3 0 0 2 1 0 0 1 5 0 9 1 2 0 0 0 0 1 0 0 21 3 5 0 21 5 2 1 0 0 26 0 0 0 0 0 3 0 0 26 0 3 0 0 # 30.972 29.743 10.59 # GLY 44 Env_3bqd_13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 -0.6869 6 6 0 0 0 0 0 0 0 0 6 0 153.184 0 0 0 0 6 21 300 0 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 6 0 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0342 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 50 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 2 7 1 1 0 0 0 2 0 0 0 0 0 -0.996 13 10 1 2 0 0 0 1 0 2 1 7 359.294 0 0 0 0 3 11 435 4 0 0 0 0 0 0 0 0 3 1 0 0 4 0 0 1 0 0 0 0 0 12 0 1 0 12 1 0 0 0 0 12 0 0 0 0 0 1 0 0 12 0 1 0 0 1 8 5 5 0 0 0 4 0 1 0 0 0 -5.149 24 14 5 5 0 0 1 5 0 4 5 13 568.013 0 0 0 0 -1 30 949 1 0 0 0 1 0 1 0 0 5 4 0 0 8 0 0 4 0 0 0 0 0 18 1 5 0 18 5 0 1 0 0 18 0 0 0 0 0 6 0 0 18 0 6 0 0 9 6 1 3 0 0 0 5 0 0 0 1 0 -0.1387 25 16 3 5 1 0 0.5 3 0 5 1 20 655.573 0 0 0 0 -5 11 992 0 0 0 1 2 0 3 0 0 3 4 0 0 8 1 0 3 0 0 0 0 0 16 4 5 0 16 5 0 4 0 0 18 0 0 0 0 0 7 0 0 18 0 7 0 0 # 34.721 18.7882 14.1302 # PHE 216 Env_3bqd_14 1 0 0 1 0 0 0 1 0 0 0 0 0 -0.8541 3 1 1 1 0 0 0 1 0 1 0 0 56.502 0 0 0 0 -2 11 102 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 3 0 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0644 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 2 34 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 -0.0655 4 4 0 0 0 0 0 0 0 0 0 1 134.04 0 0 0 0 3 6 116 0 0 0 0 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 2 0 2 0 2 2 0 0 0 0 2 0 0 0 0 0 2 0 0 2 0 2 0 0 2 3 0 2 1 0 0 3 0 0 0 0 0 -2.2354 11 5 3 3 0 0 0 2.5 0.5 3 0 7 254.735 0.333 0 0.333 0.333 -3 12 387 0 2 0 0 0 3 0 0 0 0 5 0 0 1 0 0 0 0 0 0 0 0 6 2 3 0 6 3 2 0 0 0 8 0 0 1 0 0 2 0 0 8 1 2 0 0 4 9 1 2 1 0 0 4 0 0 1 0 0 -2.5878 22 14 3 4 1 0 0 2.5 0.5 4 0 14 581.409 0.666 0 0.666 0.666 -1 23 958 1 5 0 0 0 0 1 3 0 0 8 0 1 1 0 0 0 0 0 2 0 0 13 6 0 3 13 3 5 1 0 0 15 0 0 1 0 0 6 0 0 15 1 6 0 0 4 13 1 7 4 0 0 3 0 0 0 0 0 -4.5052 32 18 11 3 0 0 0 8 3 3 0 19 813.706 0.999 0 0.999 0.999 -7 41 1951 6 8 0 0 0 0 1 4 0 0 0 0 2 2 0 0 0 0 3 6 0 0 16 9 3 4 16 7 8 1 0 0 18 0 0 5 0 0 9 0 0 18 5 9 0 0 # 33.5243 36.3583 7.00367 # GLN 46 Env_3bqd_15 1 0 0 1 0 0 0 1 0 0 0 0 0 -0.7992 3 1 1 1 0 0 0 1 0 1 0 0 56.502 0 0 0 0 -2 8 177 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 3 0 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.204 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 59 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 1 0 0 0 1 0 0 0 0 0 -0.8199 4 2 1 1 0 0 0 1 0 1 1 3 85.662 0 0 0 0 -2 4 260 0 0 2 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 0 0 2 1 1 0 0 4 0 0 0 0 0 0 0 0 4 0 0 0 0 3 1 2 1 0 0 2 2 0 0 0 0 0 -0.8251 11 6 3 2 0 0 0 2 1 2 4 7 252.981 0 0 0 1 -5 12 460 0 0 2 0 0 0 2 0 4 0 1 0 0 0 0 0 0 0 0 2 0 0 3 2 6 0 3 2 4 2 0 0 11 0 0 0 0 0 0 0 0 11 0 0 0 0 2 7 0 4 0 0 0 1 0 0 0 0 0 -1.1579 14 9 4 1 0 0 0 4 0 1 0 8 379.924 0 0 0 0 0 9 914 0 0 1 0 0 0 7 0 1 0 0 0 0 0 0 0 0 0 0 5 0 0 5 7 2 0 5 1 1 7 0 0 14 0 0 0 0 0 0 0 0 14 0 0 0 0 4 11 2 4 0 1 0 4 2 0 0 0 0 -5.0178 28 17 5 6 0 0 0 4 1 5 2 12 694.138 1.999 0.999 1 1.999 -1 45 1443 0 0 4 1 0 0 5 0 4 0 6 2 0 0 0 0 0 0 2 4 0 0 10 8 10 0 10 6 6 6 0 0 28 0 0 0 0 0 0 0 0 28 0 0 0 0 # 50.153 22.6497 3.20067 # ASN 207 Env_3bqd_16 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.1102 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 3 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 1 2 0 1 0 0 0 0 0 0 0 0 0 0.4829 4 3 1 0 0 0 0 1 0 0 0 3 114.667 0 0 0 0 0 2 12 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 4 0 0 0 0 0 4 0 0 0 0 0 0 0 0 4 0 0 0 0 1 2 0 1 0 0 0 2 0 0 0 0 0 -1.7782 6 3 1 2 0 0 0 1 0 2 0 4 137.655 0 0 0 0 -1 6 69 0 0 0 0 0 0 0 0 0 0 3 0 1 0 0 1 0 1 0 0 0 0 4 0 2 0 5 1 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 2 4 0 0 0 0 0 2 0 0 0 0 0 -0.0709 8 6 0 2 0 0 0 0 0 2 0 7 224.048 0 0 0 0 -1 4 122 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 4 0 2 0 0 0 0 2 0 6 0 4 4 0 0 0 0 8 0 0 0 0 0 0 0 0 8 0 0 0 0 2 14 3 7 0 1 0 2 0 2 1 0 0 -5.5739 32 19 8 4 1 0 2 7 1 2 3 14 832.015 1 0 1 1 3 42 394 4 0 0 0 0 0 0 0 0 0 3 4 8 2 0 6 0 5 0 0 0 0 17 4 11 0 22 6 4 0 0 0 32 0 0 0 0 0 0 0 0 32 0 0 0 0 5 15 7 1 0 0 0 5 0 0 0 0 0 -1.4463 33 27 1 5 0 0 0 1 0 5 7 17 903.686 0 0 0 0 7 43 282 6 0 0 0 0 1 0 0 0 0 10 4 2 4 0 1 0 5 0 0 0 0 22 4 7 0 27 2 4 0 0 0 33 0 0 0 0 0 0 0 0 33 0 0 0 0 # 35.278 29.796 -0.897 # LEU 79 Env_3bqd_17 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.1102 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 22 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 1 2 0 1 0 0 0 0 0 0 0 0 0 0.4829 4 3 1 0 0 0 0 1 0 0 0 3 114.667 0 0 0 0 0 2 88 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 4 0 0 0 0 0 4 0 0 0 0 0 0 0 0 4 0 0 0 0 1 2 0 1 0 0 0 2 0 0 0 0 0 -1.7782 6 3 1 2 0 0 0 1 0 2 0 4 137.655 0 0 0 0 -1 6 117 1 0 0 0 0 0 0 1 0 0 3 0 1 0 0 0 0 0 0 0 0 0 5 0 0 1 5 1 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 2 3 0 2 0 0 0 2 0 0 0 0 0 -0.7304 9 5 2 2 0 0 0 2 0 2 0 9 218.812 0 0 0 0 -4 0 99 7 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 8 0 0 1 8 1 0 0 0 0 9 0 0 0 0 0 0 0 0 9 0 0 0 0 3 11 4 4 0 0 0 4 0 1 1 0 0 -3.9508 28 18 4 5 1 0 1 4 0 4 4 14 715.484 0 0 0 0 3 31 536 2 2 0 0 2 0 0 2 0 0 1 0 6 9 0 3 0 1 0 0 0 0 18 2 6 2 19 7 2 0 0 0 20 0 0 8 0 0 0 0 0 20 8 0 0 0 6 19 3 3 1 0 0 2 0 0 1 0 0 -0.2598 35 28 4 2 1 0 0 3 1 2 2 17 1023.87 0.333 0 0.333 0.333 8 43 831 0 6 0 0 3 0 0 0 0 0 7 0 6 7 0 1 0 3 0 2 0 0 22 6 7 0 25 4 6 0 0 0 21 0 0 14 0 0 0 0 0 21 14 0 0 0 # 41.268 35.051 4.298 # LEU 84 Env_3bqd_18 0 1 0 0 0 0 0 0 0 0 0 0 0 0.2985 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 3 0 1 0 0 0 0 0 0 0 0 0 -1.1414 4 3 1 0 0 0 0 1 0 0 0 2 114.667 0 0 0 0 1 4 24 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 4 0 0 0 4 0 0 0 0 0 4 0 0 0 0 0 0 0 0 4 0 0 0 0 2 0 0 1 0 0 0 3 0 0 0 0 0 -0.9249 6 2 1 3 0 0 0 1 0 3 0 6 115.639 0 0 0 0 -4 0 134 0 0 0 0 0 1 0 2 0 1 0 0 0 0 0 0 0 0 0 2 0 0 3 0 1 2 3 3 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 2 4 0 0 0 0 0 1 0 0 1 0 0 -0.1471 8 6 0 1 1 0 0 0 0 1 0 6 239.075 0 0 0 0 1 6 207 0 0 0 0 0 2 0 3 0 1 1 0 1 0 0 0 0 0 0 0 0 0 3 0 2 3 3 5 0 0 0 0 8 0 0 0 0 0 0 0 0 8 0 0 0 0 2 17 4 6 0 0 0 2 0 0 1 0 0 -4.0486 32 23 6 2 1 0 0 6 0 2 4 14 865.221 0 0 0 0 10 44 1102 4 4 0 0 0 2 0 2 0 5 4 0 4 0 0 0 0 5 0 2 0 0 19 4 7 2 24 4 4 0 0 0 32 0 0 0 0 0 0 0 0 32 0 0 0 0 5 13 4 2 0 0 1 2 0 0 0 0 0 -0.1113 27 22 3 2 0 0 0 2 1 2 5 12 775.163 0 0 0 0 7 38 654 4 1 0 0 0 1 0 1 0 3 3 0 4 0 0 0 0 8 0 2 0 0 16 1 9 1 24 2 1 0 0 0 27 0 0 0 0 0 0 0 0 27 0 0 0 0 # 31.067 28.807 6.013 # VAL 47 Env_3bqd_19 0 1 0 0 0 0 0 0 0 0 0 0 0 0.1303 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 19 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 3 0 1 0 0 0 0 0 0 0 0 0 -0.8386 4 3 1 0 0 0 0 1 0 0 0 2 114.667 0 0 0 0 1 4 76 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 4 0 0 2 2 0 1 0 0 0 1 0 0 0 0 0 -0.1994 6 4 1 1 0 0 0 1 0 1 0 4 159.671 0 0 0 0 0 5 273 0 0 0 0 0 0 1 0 0 3 0 0 0 0 0 1 1 0 0 0 0 0 3 1 2 0 3 2 0 1 0 0 1 0 0 0 0 0 5 0 0 1 0 5 0 0 0 2 2 2 0 0 0 2 0 1 0 0 0 -3.4275 9 4 2 3 0 0 1 2 0 2 2 5 198.773 0 0 0 0 -3 12 479 0 0 1 0 0 0 1 0 0 0 0 0 0 2 0 3 2 0 0 0 0 0 2 1 6 0 2 6 0 1 0 0 3 0 0 0 0 0 6 0 0 3 0 6 0 0 5 11 3 3 0 0 0 3 0 1 1 0 0 -0.2265 27 19 3 4 1 0 1 3 0 3 3 13 717.421 0 0 0 0 2 28 1633 0 0 1 0 0 0 4 0 0 0 0 0 8 4 0 1 7 2 0 0 0 0 12 4 11 0 14 9 0 4 0 0 14 0 0 0 0 5 8 0 0 14 5 8 0 0 3 11 5 3 0 1 0 3 0 1 1 0 0 -3.6325 28 19 4 4 1 0 1 3 1 3 5 12 743.942 1 0 1 1 7 42 1691 0 0 2 1 0 0 0 0 0 0 0 1 7 7 0 1 3 6 0 0 0 0 14 2 12 0 20 6 1 1 0 0 19 0 0 0 0 3 6 0 0 19 3 6 0 0 # 39.903 23.993 19.263 # ILE 223 Env_3bqd_20 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 -0.6869 6 6 0 0 0 0 0 0 0 0 6 0 153.184 0 0 0 0 6 21 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 6 0 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0342 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 1 5 2 1 0 0 0 1 0 0 0 0 0 -1.7752 10 8 1 1 0 0 0 1 0 1 2 5 279.733 0 0 0 0 3 14 28 0 0 0 0 0 0 0 0 0 0 2 2 1 3 0 0 0 0 2 0 0 0 6 2 2 0 6 2 2 0 0 0 10 0 0 0 0 0 0 0 0 10 0 0 0 0 4 21 1 2 0 0 0 3 0 0 2 0 0 -2.9056 33 26 2 3 2 0 0 2 0 3 2 11 961.196 0 0 0 0 16 55 145 3 0 0 0 0 0 0 0 0 0 8 3 9 1 0 1 0 1 6 1 0 0 22 3 8 0 23 7 3 0 0 0 33 0 0 0 0 0 0 0 0 33 0 0 0 0 8 17 5 8 0 0 0 6 0 2 0 0 0 -4.085 46 30 8 8 0 0 2 8 0 6 5 29 1174.85 0 0 0 0 -3 41 277 4 0 0 0 0 0 2 3 0 0 14 3 2 0 0 2 1 5 4 6 0 0 26 5 12 3 31 10 3 2 0 0 45 0 0 0 0 0 1 0 0 45 0 1 0 0 # 41.6258 33.373 -5.01067 # PHE 82 Env_3bqd_21 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.1825 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0.2153 3 2 1 0 0 0 0 1 0 0 0 3 81.157 0 0 0 0 -1 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 3 0 0 0 1 2 0 1 0 0 0 3 1 0 0 0 0 -2.2536 8 3 1 4 0 0 0 1 0 3.5 0 5 163.286 0.333 0.333 0 0.333 -4 5 306 1 0 0 1 0 0 0 0 0 0 2 0 0 2 2 0 0 0 0 0 0 0 7 1 0 0 7 0 0 1 0 0 0 0 0 4 3 0 1 0 0 0 7 1 0 0 6 11 0 4 0 0 0 1 0 0 0 0 0 1.119 22 17 4 1 0 0 0 4 0 1 0 16 624.781 0.333 0.333 0 0.333 0 11 1161 3 0 0 4 0 0 0 0 0 0 7 0 0 2 3 0 0 0 3 0 0 0 15 4 3 0 15 3 0 4 0 0 1 0 0 7 7 0 7 0 0 1 14 7 0 0 2 10 2 4 1 0 0 4 1 0 0 0 0 -6.5576 24 14 5 5 0 0 0 4.5 0.5 4.5 2 10 600.602 0.666 0.333 0.333 0.666 1 35 1319 1 1 0 3 2 1 0 0 0 1 7 0 0 1 2 0 0 0 4 1 0 0 13 4 7 0 13 7 1 3 0 0 4 0 0 6 5 0 9 0 0 4 11 9 0 0 3 9 6 1 1 0 0 3 0 0 0 1 0 -1.2776 24 18 2 3 1 0 0.5 1.5 0.5 3 6 7 623.069 0.666 0 0.666 0.666 3 50 1326 1 3 0 0 3 2 0 1 0 2 2 0 0 3 0 0 0 0 3 4 0 0 12 3 8 1 12 9 3 0 0 0 6 0 0 8 0 0 10 0 0 6 8 10 0 0 # 36.523 41.104 10.879 # ALA 100 Env_3bqd_22 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0252 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 2 0 0 2 0 0 0 1 0 0 0 0 0 -0.2047 5 2 2 1 0 0 0 2 0 1 0 5 106.788 0 0 0 0 -3 0 46 0 0 0 0 0 0 0 3 0 0 1 0 0 0 0 0 0 1 0 0 0 0 1 0 1 3 2 3 0 0 0 0 5 0 0 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 -1.7037 3 0 0 3 0 0 0 0 0 3 0 3 34.482 0 0 0 0 -3 0 26 1 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 3 0 0 0 3 0 0 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 5 13 0 4 0 0 0 3 0 2 0 0 0 -1.8186 27 18 4 5 0 0 2 4 0 3 0 16 728.524 0 0 0 0 -2 18 357 3 1 0 0 0 0 0 0 0 0 5 0 1 2 0 7 0 3 0 5 0 0 16 1 10 0 19 7 1 0 0 0 27 0 0 0 0 0 0 0 0 27 0 0 0 0 4 13 1 4 0 0 0 3 0 0 0 0 0 -2.3007 25 18 4 3 0 0 0 4 0 3 1 17 681.279 0 0 0 0 1 16 530 3 3 0 0 0 0 0 0 0 0 5 0 2 1 0 4 0 2 3 2 0 0 13 3 9 0 15 7 3 0 0 0 24 0 0 1 0 0 0 0 0 24 1 0 0 0 4 10 11 7 0 0 0 5 0 0 0 0 0 -5.2203 37 25 7 5 0 0 0 7 0 5 11 20 899.474 0 0 0 0 4 43 1084 3 2 0 0 1 0 0 0 0 0 10 0 3 5 0 2 0 3 8 0 0 0 21 2 14 0 24 11 2 0 0 0 33 0 0 3 0 0 1 0 0 33 3 1 0 0 # 43.986 36.365 1.023 # GLY 85 Env_3bqd_23 0 0 0 0 0 0 0 0 0 0 1 0 0 -0.2736 1 0 0 0 1 0 0 0 0 0 0 0 26.521 0 0 0 0 1 3 23 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 -0.0518 2 2 0 0 0 0 0 0 0 0 0 0 67.02 0 0 0 0 2 6 46 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 1 2 0 0 0 0 0 1 0 0 0 0 0 0.0398 4 3 0 1 0 0 0 0 0 1 0 3 112.024 0 0 0 0 0 1 92 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 4 0 0 0 4 0 0 0 0 0 4 0 0 0 0 0 0 0 0 4 0 0 0 0 0 5 4 2 0 0 0 0 0 0 0 0 0 -2.1874 11 9 2 0 0 0 0 2 0 0 4 2 301.908 0 0 0 0 7 30 190 0 0 0 0 0 0 0 0 0 0 4 0 2 0 0 1 0 4 0 0 0 0 6 0 5 0 10 1 0 0 0 0 11 0 0 0 0 0 0 0 0 11 0 0 0 0 3 13 2 4 0 0 0 3 0 0 0 1 0 -2.6221 26 18 4 3 1 0 0.5 4 0 3 2 16 694.869 0 0 0 0 -1 21 370 3 0 0 0 2 0 0 0 0 0 9 0 4 0 0 1 0 4 0 3 0 0 19 0 7 0 23 3 0 0 0 0 26 0 0 0 0 0 0 0 0 26 0 0 0 0 7 11 2 4 0 0 1 4 0 0 2 0 0 -1.6044 31 20 5 4 2 0 0 4 1 4 3 17 826.425 0 0 0 0 2 35 488 1 0 1 0 2 0 0 0 0 0 4 0 6 0 0 4 0 6 0 7 0 0 18 0 13 0 24 7 0 0 0 0 31 0 0 0 0 0 0 0 0 31 0 0 0 0 # 40.198 26.436 5.274 # MET 77 Env_3bqd_24 0 0 0 0 0 0 0 0 0 0 0 1 0 -0.3118 1 0 0 0 1 0 0.5 0 0 0 0 0 26.521 0 0 0 0 -1 2 4 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.123 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 0 1 4 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 0 0 2 0 0 0 0 0 -0.5174 4 2 0 2 0 0 0 0 0 2 0 4 90.008 0 0 0 0 -2 0 12 1 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 3 0 1 3 0 0 0 0 0 0 0 4 0 0 0 0 0 0 4 0 0 0 2 8 0 5 0 0 0 2 0 0 0 0 0 -2.4298 17 10 5 2 0 0 0 5 0 2 0 8 426.134 0 0 0 0 -2 24 949 3 3 0 0 1 5 0 0 0 2 0 0 0 1 2 0 0 0 0 0 0 0 8 3 6 0 8 6 3 0 0 0 8 0 0 7 2 0 0 0 0 8 9 0 0 0 5 12 0 2 0 0 0 4 0 1 0 0 0 -1.5745 24 17 2 5 0 0 1 2 0 4 0 16 661.077 0 0 0 0 -1 13 1017 0 3 0 0 0 1 0 0 0 4 5 0 0 3 5 3 0 0 0 0 0 0 17 3 4 0 17 4 3 0 0 0 7 0 0 11 5 0 1 0 0 7 16 1 0 0 4 11 3 7 2 0 0 4 0 0 0 0 0 -4.6423 31 18 9 4 0 0 0 7.5 1.5 4 2 17 760.272 0.666 0 0.666 0.666 -3 35 1065 1 4 0 1 0 3 0 0 0 2 12 0 0 3 0 4 0 0 0 1 0 0 19 5 7 0 19 7 4 1 0 0 12 0 0 11 1 1 6 0 0 12 13 6 0 0 # 41.325 43.224 7.339 # CYS 98 Env_3bqd_25 1 0 0 1 0 0 0 1 0 0 0 0 0 -0.8541 3 1 1 1 0 0 0 1 0 1 0 0 56.502 0 0 0 0 -2 11 99 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 3 0 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0644 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 2 33 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 -0.5714 2 1 0 1 0 0 0 0 0 1 0 1 45.004 0 0 0 0 0 1 91 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 2 0 0 0 0 1 0 0 0 1 0 0 0 0 1 1 0 0 0 1 3 1 1 0 0 0 1 0 0 1 0 0 -0.9053 8 5 1 1 1 0 0 1 0 1 1 4 212.713 0 0 0 0 2 12 244 0 0 0 0 1 2 0 0 0 0 0 0 4 0 0 0 0 0 1 0 0 0 4 0 4 0 4 4 0 0 0 0 6 0 0 0 2 0 0 0 0 6 2 0 0 0 4 9 4 2 0 0 0 1 0 1 1 0 0 -1.3226 22 17 2 2 1 0 1 2 0 1 5 8 606.287 0 0 0 0 7 35 733 0 0 0 1 3 2 0 0 0 0 0 0 8 0 0 0 2 0 6 0 0 0 8 1 13 0 8 13 0 1 0 0 13 0 0 0 9 0 0 0 0 13 9 0 0 0 3 12 1 5 0 0 0 4 0 1 0 2 0 -3.8042 28 16 5 5 2 0 2 5 0 4 1 17 716.031 0 0 0 0 -7 28 1519 0 0 0 4 6 0 0 0 0 1 0 0 3 0 0 0 5 1 8 0 0 0 4 4 20 0 5 19 0 4 0 0 25 0 0 0 2 0 1 0 0 25 2 1 0 0 # 46.5963 27.0077 14.146 # GLN 118 Env_3bqd_26 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.1825 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 16 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 -0.3819 2 1 1 0 0 0 0 1 0 0 0 2 47.647 0 0 0 0 -1 0 32 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 1 0 0 0 2 0 1 0 0 0 -0.9149 6 2 1 3 0 0 1 1 0 2 0 5 121.302 0 0 0 0 -4 6 62 2 0 0 0 0 0 0 0 0 0 2 0 0 1 0 0 0 0 1 0 0 0 5 0 1 0 5 1 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 3 4 0 0 0 0 0 2 0 0 0 0 0 0.2555 9 7 0 2 0 0 0 0 0 2 1 7 244.627 0 0 0 0 -1 8 143 0 0 0 0 0 0 0 0 0 0 2 1 3 2 0 0 0 0 1 0 0 0 7 1 1 0 7 1 1 0 0 0 9 0 0 0 0 0 0 0 0 9 0 0 0 0 2 9 5 6 2 1 0 1 1 0 1 0 0 -4.7699 28 16 9 2 1 0 0 6.5 2.5 1.5 4 11 704.823 1.999 0.333 1.666 1.999 1 54 512 4 4 0 0 0 0 1 1 0 0 4 3 3 4 0 0 0 2 2 0 0 0 15 8 4 1 17 3 7 1 0 0 27 0 0 0 0 1 0 0 0 27 1 0 0 0 5 14 7 1 1 0 0 2 1 0 0 0 0 -1.3086 31 26 2 3 0 0 0 1.5 0.5 2.5 7 9 860.282 0.999 0.666 0.333 0.999 11 58 688 0 5 0 0 0 2 2 2 0 0 6 1 2 2 0 2 0 4 3 0 0 0 10 8 11 2 14 9 6 2 0 0 29 0 0 0 0 2 0 0 0 29 2 0 0 0 # 37.387 35.381 0.504 # ALA 83 Env_3bqd_27 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.1102 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 33 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 2 0 1 0 0 0 0 0 0 0 0 0 -0.1143 3 2 1 0 0 0 0 1 0 0 0 2 81.157 0 0 0 0 0 2 99 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 3 0 0 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 2 2 0 1 0 0 0 3 0 0 0 0 0 -1.7489 8 4 1 3 0 0 0 1 0 3 0 6 182.659 0 0 0 0 -2 6 247 0 0 1 0 0 0 0 0 0 1 4 0 1 0 0 0 1 0 0 0 0 0 6 0 2 0 6 2 0 0 0 0 8 0 0 0 0 0 0 0 0 8 0 0 0 0 2 3 1 1 0 0 0 1 0 0 0 0 0 -0.0077 8 6 1 1 0 0 0 1 0 1 1 7 219.702 0 0 0 0 -1 4 243 0 0 1 0 0 0 0 0 0 1 0 0 3 1 0 0 2 0 0 0 0 0 5 0 3 0 5 3 0 0 0 0 7 0 0 1 0 0 0 0 0 7 1 0 0 0 3 9 5 6 0 0 0 3 0 0 0 0 0 -3.7821 26 17 6 3 0 0 0 6 0 3 5 11 645.448 0 0 0 0 2 34 798 0 0 6 0 0 0 0 1 0 3 2 0 2 5 0 0 7 0 0 0 0 0 12 0 13 1 12 14 0 0 0 0 21 0 0 5 0 0 0 0 0 21 5 0 0 0 3 16 0 1 0 0 0 1 0 1 0 0 0 -0.2215 22 19 1 2 0 0 1 1 0 1 0 8 679.478 0 0 0 0 9 31 794 0 2 0 0 0 0 0 1 0 4 7 0 5 1 0 0 2 0 0 0 0 0 17 2 2 1 17 3 2 0 0 0 15 0 0 6 1 0 0 0 0 15 7 0 0 0 # 39.695 32.314 13.737 # LEU 39 Env_3bqd_28 0 0 0 0 0 0 0 0 0 1 0 0 0 -0.6761 1 0 0 1 0 0 1 0 0 0 0 0 17.157 0 0 0 0 -1 2 31 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0.0828 3 3 0 0 0 0 0 0 0 0 0 1 100.53 0 0 0 0 1 3 93 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 3 0 0 3 0 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 1 0 0 2 0 0 0 1 0 0 0 0 0 -0.9026 4 1 2 1 0 0 0 2 0 1 0 4 73.278 0 0 0 0 -3 0 314 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 2 1 0 0 0 0 0 1 3 0 1 2 0 1 0 0 3 0 0 0 0 0 1 0 0 3 0 1 0 0 4 7 0 1 0 0 0 4 0 0 0 0 0 -0.7986 16 11 1 4 0 0 0 1 0 4 0 12 428.723 0 0 0 0 -1 6 1254 0 2 0 0 0 0 5 0 0 4 0 0 2 0 0 0 2 1 0 0 0 0 6 7 3 0 7 2 2 5 0 0 7 0 0 0 0 0 9 0 0 7 0 9 0 0 4 9 0 6 0 0 0 3 2 1 0 0 0 -4.5377 25 13 6 6 0 0 1 6 0 4 0 14 597.726 0.999 0.999 0 0.999 -7 27 1582 0 3 2 0 0 0 3 0 0 7 0 0 3 1 0 2 2 2 0 0 0 0 11 6 8 0 13 6 3 3 0 0 15 0 0 0 0 0 10 0 0 15 0 10 0 0 3 10 3 4 1 0 0 3 0 0 2 0 0 -2.7171 26 16 5 3 2 0 0 4 1 3 3 12 660.971 0 0 0 0 2 36 1534 0 3 4 0 0 0 0 0 0 1 1 0 6 3 0 1 5 2 0 0 0 0 11 3 12 0 13 10 3 0 0 0 22 0 0 0 0 0 4 0 0 22 0 4 0 0 # 38.233 28.18 20.726 # THR 37 Env_3bqd_29 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 -0.6869 6 6 0 0 0 0 0 0 0 0 6 0 153.184 0 0 0 0 6 21 198 0 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 6 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0342 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 33 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 9 0 1 0 0 0 1 0 0 0 0 0 -2.0809 11 9 1 1 0 0 0 1 0 1 0 3 327.221 0 0 0 0 6 19 232 0 0 0 0 0 0 0 0 0 1 8 0 0 2 0 0 0 0 0 0 0 0 11 0 0 0 11 0 0 0 0 0 6 0 0 5 0 0 0 0 0 6 5 0 0 0 3 12 0 3 0 0 0 3 0 0 1 0 0 -2.2007 22 15 3 3 1 0 0 3 0 3 0 12 606.064 0 0 0 0 4 22 268 1 0 0 0 4 0 0 0 0 3 11 0 1 2 0 0 0 0 0 0 0 0 18 0 4 0 18 4 0 0 0 0 4 0 0 18 0 0 0 0 0 4 18 0 0 0 3 16 0 3 0 0 0 3 0 1 0 1 0 -3.7304 27 19 3 4 1 0 1.5 3 0 3 0 14 757.261 0 0 0 0 2 29 541 1 0 0 0 2 0 0 0 0 7 12 0 4 0 0 1 0 0 0 0 0 0 24 0 3 0 24 3 0 0 0 0 13 0 0 13 1 0 0 0 0 13 14 0 0 0 # 41.845 35.4665 10.1072 # PHE 99 Env_3bqd_30 0 0 0 0 0 0 0 0 0 1 0 0 0 -0.6761 1 0 0 1 0 0 1 0 0 0 0 0 17.157 0 0 0 0 -1 2 19 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0.0828 3 3 0 0 0 0 0 0 0 0 0 1 100.53 0 0 0 0 1 3 57 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 3 0 0 3 0 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 -0.3863 3 1 1 1 0 0 0 1 0 1 0 3 59.141 0 0 0 0 -2 0 102 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 1 0 0 0 0 0 3 0 0 3 0 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 2 4 0 1 0 0 0 2 0 0 0 0 0 -0.4921 9 6 1 2 0 0 0 1 0 2 0 6 238.185 0 0 0 0 0 6 692 0 0 0 0 0 4 0 0 0 1 0 0 0 1 0 0 1 0 2 0 0 0 2 0 7 0 2 7 0 0 0 0 8 0 0 0 0 0 1 0 0 8 0 1 0 0 4 10 4 5 0 0 0 5 0 0 1 0 0 -3.9087 29 18 5 5 1 0 0 5 0 5 4 12 708.388 0 0 0 0 2 45 1535 0 0 1 1 4 7 0 0 0 3 0 0 3 6 0 0 0 0 4 0 0 0 12 1 16 0 12 16 0 1 0 0 21 0 0 0 0 2 6 0 0 21 2 6 0 0 3 9 6 5 0 0 0 1 1 0 1 0 0 -4.2757 26 18 5 2 1 0 0 5 0 1.5 6 9 691.736 0.666 0.666 0 0.666 5 49 1284 0 0 2 4 1 2 0 0 0 3 1 0 4 5 0 0 0 2 2 0 0 0 13 4 9 0 15 7 0 4 0 0 16 0 0 0 0 1 9 0 0 16 1 9 0 0 # 43.446 22.05 15.593 # THR 215 Env_3bqd_31 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.1102 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 5 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 2 0 1 0 0 0 0 0 0 0 0 0 -0.1143 3 2 1 0 0 0 0 1 0 0 0 2 81.157 0 0 0 0 0 2 15 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 3 0 0 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 2 2 0 1 0 0 0 2 0 0 0 0 0 -1.181 7 4 1 2 0 0 0 1 0 2 0 5 171.165 0 0 0 0 -1 6 127 0 0 1 0 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 1 0 0 6 0 1 0 6 1 0 0 0 0 7 0 0 0 0 0 0 0 0 7 0 0 0 0 2 4 3 2 0 0 0 2 0 0 0 0 0 -1.668 13 9 2 2 0 0 0 2 0 2 3 9 331.885 0 0 0 0 0 14 642 0 0 1 0 0 0 4 0 0 0 3 0 0 3 0 0 0 0 0 2 0 0 8 4 1 0 8 1 0 4 0 0 13 0 0 0 0 0 0 0 0 13 0 0 0 0 4 13 6 5 0 0 0 3 0 1 1 1 0 -4.1061 34 23 5 4 2 0 1.5 5 0 3 7 11 876.708 0 0 0 0 6 57 1584 0 0 10 0 4 0 2 0 0 0 1 0 4 5 0 0 0 0 6 2 0 0 12 2 20 0 12 20 0 2 0 0 34 0 0 0 0 0 0 0 0 34 0 0 0 0 4 9 5 1 0 0 1 2 1 0 0 0 0 -1.4148 23 18 2 3 0 0 0 1 1 2.5 6 9 621.203 0.666 0.666 0 0.666 5 43 828 0 0 1 0 1 0 2 0 1 0 2 0 1 1 0 0 0 4 6 4 0 0 8 2 13 0 12 8 1 2 0 0 23 0 0 0 0 0 0 0 0 23 0 0 0 0 # 42.111 20.513 4.972 # LEU 209 Env_3bqd_32 0 0 0 0 0 0 0 0 0 0 0 1 0 -0.3118 1 0 0 0 1 0 0.5 0 0 0 0 0 26.521 0 0 0 0 -1 2 13 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.123 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 0 1 13 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 1 2 0 0 0 0 0 1 0 0 0 0 0 -0.0154 4 3 0 1 0 0 0 0 0 1 0 3 112.024 0 0 0 0 0 3 40 0 0 0 0 3 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 3 0 1 3 0 0 0 0 4 0 0 0 0 0 0 0 0 4 0 0 0 0 0 5 7 2 0 0 0 1 0 0 0 0 0 -3.3024 15 12 2 1 0 0 0 2 0 1 7 4 392.965 0 0 0 0 8 41 275 0 0 0 0 1 0 0 0 0 2 2 0 1 7 0 0 0 2 0 0 0 0 12 0 3 0 14 1 0 0 0 0 12 0 0 0 0 0 3 0 0 12 0 3 0 0 4 7 7 2 0 0 1 3 0 0 1 0 0 -0.8947 25 18 3 3 1 0 0 2 1 3 8 10 640.345 0 0 0 0 6 40 602 0 0 1 0 0 0 0 0 0 2 7 0 1 9 0 0 0 3 2 0 0 0 19 0 6 0 22 3 0 0 0 0 23 0 0 0 0 0 2 0 0 23 0 2 0 0 4 16 8 6 0 0 0 4 0 0 0 0 0 -4.6862 38 28 6 4 0 0 0 6 0 4 8 17 1004.59 0 0 0 0 8 52 1294 0 0 6 0 0 1 0 0 0 3 7 0 2 9 0 0 5 2 3 0 0 0 21 0 17 0 23 15 0 0 0 0 36 0 0 0 0 0 2 0 0 36 0 2 0 0 # 38.727 22.513 9.689 # CYS 212 Env_3bqd_33 0 0 0 0 0 0 0 0 0 0 1 0 0 -0.2736 1 0 0 0 1 0 0 0 0 0 0 0 26.521 0 0 0 0 1 3 35 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 -0.0518 2 2 0 0 0 0 0 0 0 0 0 0 67.02 0 0 0 0 2 6 70 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0.0105 2 2 0 0 0 0 0 0 0 0 0 1 67.02 0 0 0 0 1 1 70 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 3 6 0 2 0 0 0 4 0 0 0 0 0 -1.4903 15 9 2 4 0 0 0 2 0 4 0 11 375.84 0 0 0 0 -2 6 341 0 0 0 0 0 5 0 1 0 0 1 0 3 0 0 0 0 1 0 4 0 0 8 0 6 1 9 6 0 0 0 0 15 0 0 0 0 0 0 0 0 15 0 0 0 0 4 9 2 3 0 0 0 2 0 0 0 0 0 -1.2592 20 15 3 2 0 0 0 3 0 2 2 12 541.14 0 0 0 0 2 18 335 3 0 0 0 0 2 0 2 0 0 3 0 3 0 0 0 0 5 0 2 0 0 11 0 7 2 16 4 0 0 0 0 20 0 0 0 0 0 0 0 0 20 0 0 0 0 5 7 3 9 0 0 0 7 0 0 1 0 0 -6.064 32 15 9 7 1 0 0 9 0 7 3 22 714.303 0 0 0 0 -8 31 677 5 2 0 0 0 2 0 4 0 1 8 0 2 0 0 4 0 3 0 1 0 0 17 2 9 4 20 10 2 0 0 0 32 0 0 0 0 0 0 0 0 32 0 0 0 0 # 35.125 31.171 4.494 # MET 80 Env_3bqd_34 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.1102 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 11 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 2 0 1 0 0 0 0 0 0 0 0 0 -0.1143 3 2 1 0 0 0 0 1 0 0 0 2 81.157 0 0 0 0 0 2 33 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 3 0 0 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 2 2 0 1 0 0 0 1 0 0 0 0 0 -0.6131 6 4 1 1 0 0 0 1 0 1 0 4 159.671 0 0 0 0 0 6 130 0 0 0 0 0 0 0 1 0 0 4 0 1 0 0 0 0 0 0 0 0 0 5 0 0 1 5 1 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 2 3 0 0 0 0 0 3 0 0 0 0 0 -0.61 8 5 0 3 0 0 0 0 0 3 0 8 202.032 0 0 0 0 -3 0 376 0 0 0 0 0 0 0 1 0 0 3 0 2 0 0 0 2 0 0 0 0 0 5 0 2 1 5 3 0 0 0 0 8 0 0 0 0 0 0 0 0 8 0 0 0 0 4 12 1 8 2 0 0 4 0 0 0 0 0 -5.0559 31 17 10 4 0 0 0 8.5 1.5 4 0 17 758.18 0.666 0 0.666 0.666 -5 35 1649 5 6 4 0 0 4 0 3 0 0 3 0 2 1 0 0 2 0 1 0 0 0 11 6 11 3 11 14 6 0 0 0 24 0 0 1 0 0 6 0 0 24 1 6 0 0 4 17 3 3 1 0 0 3 0 0 0 0 0 -2.6922 31 24 4 3 0 0 0 3.5 0.5 3 3 13 878.653 0.333 0 0.333 0.333 7 44 1405 2 4 1 0 0 3 0 3 0 0 7 0 1 6 0 0 3 0 1 0 0 0 16 4 8 3 16 11 4 0 0 0 15 0 0 12 0 0 4 0 0 15 12 4 0 0 # 34.747 34.989 12.606 # LEU 42 Env_3bqd_35 0 0 0 0 0 0 0 0 0 0 1 0 0 -0.2736 1 0 0 0 1 0 0 0 0 0 0 0 26.521 0 0 0 0 1 3 32 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 -0.0518 2 2 0 0 0 0 0 0 0 0 0 0 67.02 0 0 0 0 2 6 64 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0.0342 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 32 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 1 5 2 2 0 0 0 2 0 0 0 0 0 -2.8857 12 8 2 2 0 0 0 2 0 2 2 7 305.364 0 0 0 0 1 18 239 0 0 0 0 3 2 0 0 0 0 3 0 2 2 0 0 0 0 0 0 0 0 7 0 5 0 7 5 0 0 0 0 9 0 0 3 0 0 0 0 0 9 3 0 0 0 3 11 2 1 0 0 0 1 0 0 0 1 0 -0.3262 19 16 1 1 1 0 0.5 1 0 1 2 6 574.334 0 0 0 0 8 28 357 0 0 0 0 3 2 0 0 1 0 9 0 2 2 0 0 0 0 0 0 0 0 13 0 6 0 13 5 1 0 0 0 14 0 0 5 0 0 0 0 0 14 5 0 0 0 1 13 3 4 0 0 0 4 0 0 2 0 0 -4.503 27 17 4 4 2 0 0 4 0 4 3 15 692.385 0 0 0 0 3 27 698 4 0 0 0 0 2 0 0 5 0 6 3 5 2 0 0 0 0 0 0 0 0 17 3 7 0 17 2 8 0 0 0 22 0 0 3 2 0 0 0 0 22 5 0 0 0 # 44.686 31.533 7.915 # MET 122 Env_3bqd_36 0 0 1 0 0 0 0 0 0 0 0 0 0 0.8076 1 1 0 0 0 0 0 0 0 0 0 0 20.579 0.333 0 0.333 0.333 0 5 56 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 -2.2547 3 0 3 0 0 0 0 1 2 0 0 0 69.437 0.666 0 0.666 0.666 -3 16 168 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 3 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0.0485 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 0 3 56 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 0 -0.3889 6 6 0 0 0 0 0 0 0 0 0 1 201.06 0 0 0 0 5 8 348 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 4 2 0 0 4 0 2 0 0 0 2 0 0 0 0 0 4 0 0 2 0 4 0 0 5 2 0 4 0 0 0 7 0 0 0 0 0 -3.5796 18 7 4 7 0 0 0 4 0 7 0 14 368.937 0 0 0 0 -10 12 851 3 2 0 0 1 3 2 0 0 0 2 0 0 2 1 0 0 0 0 2 0 0 10 4 4 0 10 4 2 2 0 0 8 0 0 3 0 0 7 0 0 8 3 7 0 0 7 15 1 6 0 0 0 3 1 1 0 1 0 -2.3112 35 23 6 5 1 0 1.5 6 0 3.5 1 22 940.86 0.333 0.333 0 0.333 -5 29 1181 5 2 0 0 3 1 3 0 0 0 10 0 0 2 4 1 0 2 1 1 0 0 22 5 8 0 24 6 2 3 0 0 14 0 0 9 3 1 8 0 0 14 13 8 0 0 # 36.031 40.085 3.747 # ARG 87