# EXCLUDED_RESIDUES HETATM # PDBID_LIST 2nnq # POINT_FILE ../DUDE/pocket_res_ptf_dude_crys/2nnq_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_2nnq_0 0 0 0 0 0 0 0 0 0 1 0 0 0 -0.6546 1 0 0 1 0 0 1 0 0 0 0 0 17.157 0 0 0 0 -1 2 27 0 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 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0.1868 2 2 0 0 0 0 0 0 0 0 0 1 67.02 0 0 0 0 0 1 54 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 2 0 0 0 0 0 0 0 2 0 0 0 0 0 0 2 0 0 0 1 1 0 2 0 0 0 2 0 0 0 0 0 -1.4775 6 2 2 2 0 0 0 2 0 2 0 5 118.282 0 0 0 0 -3 1 229 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 3 0 0 0 0 0 0 1 1 4 0 1 4 0 1 0 0 0 0 0 4 0 0 2 0 0 0 4 2 0 0 4 6 0 3 0 0 0 4 0 0 0 0 0 -0.8835 17 10 3 4 0 0 0 3 0 4 0 13 423.487 0 0 0 0 -5 8 770 0 0 4 0 0 0 3 0 0 0 0 3 2 0 3 2 0 0 0 0 0 0 5 6 6 0 5 6 3 3 0 0 0 0 0 8 0 0 9 0 0 0 8 9 0 0 4 11 0 3 0 0 0 2 0 3 0 0 0 -2.0081 23 15 3 5 0 0 3 3 0 2 0 12 616.881 0 0 0 0 -4 22 931 0 0 4 0 0 0 2 0 0 0 0 2 3 0 3 2 6 0 1 0 0 0 6 4 13 0 6 13 2 2 0 0 0 0 0 14 0 0 9 0 0 0 14 9 0 0 6 8 1 6 0 0 0 5 0 0 1 0 0 -3.6304 27 15 6 5 1 0 0 6 0 5 2 15 648.904 0 0 0 0 -2 30 1619 0 0 5 0 0 0 1 0 0 5 0 8 3 0 0 2 0 1 2 0 0 0 8 9 10 0 9 9 8 1 0 0 0 0 0 15 0 0 12 0 0 0 15 12 0 0 # -0.225 7.239 13.695 # SER 53 Env_2nnq_1 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 11 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 0 0 0 1 0 0 0 0 0 0 1 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 22 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 0 0 0 2 0 0 0 0 0 0 2 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 11 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 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 4 2 1 1 0 0 0 0 1 0 0 0 -2.1013 10 7 2 1 0 0 1 1 1 0 3 2 259.534 0 0 0 0 2 30 139 0 1 0 0 0 0 0 0 0 3 0 0 2 0 0 0 0 0 4 0 0 0 5 1 4 0 5 4 1 0 0 0 0 0 0 10 0 0 0 0 0 0 10 0 0 0 2 12 6 1 1 0 0 3 0 0 0 0 0 -2.1781 25 20 2 3 0 0 0 1.5 0.5 3 5 6 683.488 0.666 0 0.666 0.666 9 48 492 0 4 2 0 0 0 0 0 0 4 3 1 2 0 0 1 0 3 4 1 0 0 10 5 10 0 13 7 5 0 0 0 0 0 0 25 0 0 0 0 0 0 25 0 0 0 5 13 1 5 1 0 1 5 0 1 0 0 0 -4.2548 32 19 7 6 0 0 1 5.5 1.5 5 2 22 814.079 0.333 0 0.333 0.333 -6 23 700 0 2 2 0 0 0 0 0 0 10 2 3 0 0 2 3 0 6 0 2 0 0 16 5 11 0 22 5 5 0 0 0 0 0 0 30 0 0 2 0 0 0 30 2 0 0 # 5.291 8.092 10.627 # MET 40 Env_2nnq_2 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 38 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 0 266 1 0 0 0 0 0 0 3 0 0 0 0 1 0 0 0 0 0 0 0 0 0 2 0 0 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 2 0 0 0 0 0 -1.1572 2 0 0 2 0 0 0 0 0 2 0 2 22.988 0 0 0 0 -2 0 37 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 1 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 4 5 0 2 0 0 0 2 0 0 0 0 0 0.4822 13 9 2 2 0 0 0 2 0 2 0 10 352.852 0 0 0 0 -1 6 837 4 1 0 0 0 0 0 0 0 0 0 2 4 0 0 0 0 0 0 2 0 0 10 3 0 0 10 0 3 0 0 0 12 0 0 0 0 0 1 0 0 12 0 1 0 0 1 7 3 2 1 0 0 3 0 0 1 0 0 -4.0625 18 11 3 3 1 0 0 2.5 0.5 3 3 10 455.407 0.333 0 0.333 0.333 1 22 900 4 2 0 0 0 0 0 0 0 0 0 2 3 4 0 0 1 0 0 2 0 0 13 4 1 0 13 1 4 0 0 0 13 0 0 1 0 0 4 0 0 13 1 4 0 0 3 12 3 3 1 2 0 1 1 1 1 0 0 -2.5014 28 18 6 3 1 0 1 3.5 2.5 1.5 2 8 766.509 3.332 0.666 2.666 3.332 5 59 1769 0 4 0 5 0 0 0 0 0 0 0 6 3 5 0 2 1 0 0 2 0 0 10 15 3 0 10 3 10 5 0 0 22 0 0 4 0 0 2 0 0 22 4 2 0 0 # 2.835 -1.439 22.066 # GLY 34 Env_2nnq_3 0 0 0 0 0 1 0 0 0 0 0 0 0 -0.3853 1 0 1 0 0 0 0 0 1 0 0 0 33.51 1 0 1 1 1 5 62 0 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 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 -0.062 2 2 0 0 0 0 0 0 0 0 0 0 67.02 0 0 0 0 0 7 124 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 -0.5342 2 1 0 1 0 0 0 0 0 1 0 2 45.004 0 0 0 0 -1 0 47 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 1 0 1 1 0 0 0 0 0 0 0 0 1 0 1 0 0 0 1 1 0 0 2 6 0 1 0 0 0 2 0 1 0 0 0 -1.4039 12 8 1 3 0 0 1 1 0 2 0 5 322.362 0 0 0 0 1 11 573 4 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 4 0 0 2 0 0 6 2 4 0 6 4 2 0 0 0 0 0 0 5 4 0 3 0 0 0 9 3 0 0 4 7 0 4 0 0 0 1 1 0 0 0 0 -0.5235 17 11 4 2 0 0 0 4 0 1.5 0 13 437.858 0.666 0.666 0 0.666 -4 7 1307 0 0 2 8 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 3 0 0 3 8 6 0 3 6 0 8 0 0 0 0 0 5 3 0 9 0 0 0 8 9 0 0 3 5 3 5 0 0 0 5 1 1 0 0 0 -5.1762 23 11 5 7 0 0 1 5 0 5.5 3 15 507.092 0.333 0.333 0 0.333 -7 21 1554 0 2 2 5 0 0 1 0 0 0 0 4 0 4 0 0 3 0 0 2 0 0 6 12 5 0 6 5 6 6 0 0 0 0 0 4 2 4 13 0 0 0 10 13 0 0 # -2.011 12.712 22.114 # LYS 58 Env_2nnq_4 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 15 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 1 0 0 0 0 0 0 1 0 0 0 1 3 0 1 0 0 0 0 0 0 0 0 0 -0.2414 5 4 1 0 0 0 0 1 0 0 0 3 148.177 0 0 0 0 1 4 75 0 0 0 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 0 5 0 0 0 5 0 0 0 0 0 0 0 0 5 0 0 0 0 0 0 5 0 0 0 1 1 0 1 0 0 0 1 0 0 0 0 0 -0.3845 4 2 1 1 0 0 0 1 0 1 0 3 92.651 0 0 0 0 -1 3 130 0 0 0 0 0 0 0 0 0 2 0 1 0 0 0 0 1 0 0 0 0 0 2 1 1 0 2 1 1 0 0 0 0 0 0 4 0 0 0 0 0 0 4 0 0 0 0 5 1 0 0 0 0 3 0 0 0 0 0 -2.3046 9 6 0 3 0 0 0 0 0 3 1 5 228.553 0 0 0 0 1 11 254 0 0 0 0 0 0 0 0 0 5 0 1 0 1 0 0 2 0 0 0 0 0 6 1 2 0 6 2 1 0 0 0 0 0 0 9 0 0 0 0 0 0 9 0 0 0 5 14 2 4 1 0 0 2 0 0 1 0 0 -1.4909 29 21 5 2 1 0 0 4 1 2 2 14 816.368 0 0 0 0 6 33 826 0 1 0 0 0 0 2 0 0 14 0 3 3 2 0 1 3 0 0 0 0 0 19 6 4 0 19 4 4 2 0 0 0 0 0 29 0 0 0 0 0 0 29 0 0 0 3 14 3 4 2 0 1 3 0 1 0 0 0 -4.2302 31 20 7 4 0 0 1 5.5 1.5 3 3 15 808.531 0.999 0 0.999 1.499 -2 48 1179 0 4 0 0 0 0 4 0 1 6 1 1 3 2 0 6 3 0 0 0 0 0 12 9 10 0 12 9 6 4 0 0 0 0 0 31 0 0 0 0 0 0 31 0 0 0 # 4.166 13.388 10.479 # ILE 51 Env_2nnq_5 0 0 1 0 0 0 2 0 0 0 0 0 0 -0.6593 3 1 2 0 0 0 0 1 1 0 3 0 61.237 0 0 0 1 -2 11 3 0 0 0 0 0 0 0 0 3 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 3 0 0 0 0 0 0 3 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 -0.0338 2 2 0 0 0 0 0 0 0 0 2 0 47.1 0 0 0 0 0 5 2 0 0 0 0 0 0 0 0 2 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 0 2 0 0 0 0 0 0 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0074 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 1 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 1 0 0 0 0 0 0 1 0 0 0 3 7 1 2 2 0 0 1 2 1 0 0 0 -4.1022 19 11 4 4 0 0 1 3 1 2 1 4 480.108 1.665 0.999 0.666 1.665 -2 51 269 0 2 0 0 0 3 3 0 3 4 0 0 0 1 0 2 0 0 0 1 0 0 6 5 8 0 6 5 5 3 0 0 0 0 0 19 0 0 0 0 0 0 19 0 0 0 3 12 3 5 0 0 0 4 0 0 0 0 0 -2.7627 27 18 5 4 0 0 0 5 0 4 2 15 692.932 0.333 0 0.333 0.333 1 30 469 0 1 0 0 0 4 1 0 1 10 0 0 0 2 0 1 3 0 0 4 0 0 16 2 9 0 16 8 2 1 0 0 0 0 0 27 0 0 0 0 0 0 27 0 0 0 3 13 7 1 1 0 0 3 0 0 0 0 0 -2.5538 28 23 2 3 0 0 0 1 1 3 7 11 785.063 0 0 0 0 10 45 473 0 2 0 0 0 0 1 0 0 5 0 0 0 7 0 3 6 0 0 4 0 0 16 3 9 0 16 9 2 1 0 0 0 0 0 27 0 0 1 0 0 0 27 1 0 0 # 9.57 14.8505 16.22 # HIS 93 Env_2nnq_6 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 21 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 1 0 0 0 0 0 0 1 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 84 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 4 0 0 0 0 0 0 4 0 0 0 1 2 0 1 0 0 0 2 0 0 0 0 0 -1.6483 6 3 1 2 0 0 0 1 0 2 0 4 137.655 0 0 0 0 -1 6 237 0 0 0 0 0 0 0 0 0 0 3 1 0 0 1 0 0 0 0 1 0 0 5 1 0 0 5 0 1 0 0 0 0 0 0 5 0 0 1 0 0 0 5 1 0 0 3 6 4 1 0 0 0 3 0 1 0 0 0 -2.1775 18 13 1 4 0 0 1 1 0 3 5 9 454.577 0 0 0 0 1 29 1133 0 0 0 0 0 0 0 0 0 0 0 7 0 0 3 0 0 0 6 2 0 0 5 7 6 0 5 6 7 0 0 0 0 0 0 10 0 0 8 0 0 0 10 8 0 0 3 12 2 6 2 0 0 3 0 0 0 0 0 -3.1128 28 17 8 3 0 0 0 6.5 1.5 3 1 16 714.062 0.666 0 0.666 0.666 -4 32 1360 1 3 2 0 0 0 0 0 0 0 0 5 0 0 3 4 0 0 4 6 0 0 10 8 10 0 10 10 8 0 0 0 0 0 0 21 0 0 7 0 0 0 21 7 0 0 5 13 0 3 1 1 0 3 0 1 0 0 0 -1.9719 27 18 5 4 0 0 1 3.5 1.5 3 0 14 755.169 1.333 0 1.333 1.333 0 30 1009 1 7 3 0 0 0 1 0 0 0 0 3 1 0 0 5 0 2 1 3 0 0 5 11 11 0 7 9 10 1 0 0 0 0 0 25 0 0 2 0 0 0 25 2 0 0 # 3.498 -0.195 11.965 # LEU 10 Env_2nnq_7 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 0 0 0 0 0 0 1 0 0 0 0 1 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 0 0 0 0 0 0 2 0 0 0 0 2 0 0 2 0 0 1 0 0 0 2 0 0 0 0 0 -0.2893 5 2 1 2 0 0 0 1 0 2 0 5 104.145 0 0 0 0 -3 0 302 3 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 4 1 0 0 4 0 1 0 0 0 2 0 0 0 0 0 3 0 0 2 0 3 0 0 2 8 1 4 0 0 0 2 0 2 0 0 0 -2.6418 19 11 4 4 0 0 2 4 0 2 1 12 469.529 0 0 0 0 -5 11 1412 2 0 0 0 0 0 0 0 0 0 0 2 3 4 3 2 2 0 0 1 0 0 13 2 4 0 13 4 2 0 0 0 6 0 0 0 0 6 7 0 0 6 6 7 0 0 5 12 2 3 0 0 0 3 0 0 0 0 0 -0.6282 25 19 3 3 0 0 0 3 0 3 2 15 699.605 0 0 0 0 3 17 1891 2 0 0 0 0 0 0 4 0 0 0 4 1 3 2 2 5 0 0 2 0 0 10 4 7 4 10 11 4 0 0 0 9 0 0 0 0 8 8 0 0 9 8 8 0 0 2 7 4 2 1 1 0 6 0 0 0 0 0 -4.5653 23 13 4 6 0 0 0 2.5 1.5 6 3 12 556.909 1.666 0 1.666 1.666 -2 42 1582 0 2 0 0 0 0 2 0 0 0 1 6 1 4 2 2 0 0 0 3 0 0 11 10 2 0 11 2 8 2 0 0 5 0 0 3 0 4 11 0 0 5 7 11 0 0 # -1.422 0.781 18.552 # ALA 36 Env_2nnq_8 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 36 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 0 0 0 0 0 0 1 0 0 0 0 1 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 16 108 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 0 0 0 0 0 0 3 0 0 0 0 3 0 0 0 3 0 0 0 0 0 0 2 0 0 0 0 -1.8345 5 3 0 2 0 0 0 0 0 1 0 0 128.804 0.666 0.666 0 0.666 0 13 152 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 4 0 0 1 0 2 2 0 0 1 0 0 0 2 0 2 0 0 1 2 2 0 0 1 6 4 0 0 0 0 1 0 1 0 0 0 -1.137 13 11 0 2 0 0 1 0 0 1 4 0 350.432 0.333 0.333 0 0.333 6 37 213 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 3 4 0 3 0 0 3 2 8 0 7 4 1 1 0 0 2 0 0 6 1 0 4 0 0 2 7 4 0 0 4 8 4 3 0 0 1 2 0 1 0 0 0 -2.667 23 16 4 3 0 0 1 3 1 2 5 11 596.816 0 0 0 0 0 35 493 0 4 0 4 0 3 0 0 0 0 0 0 0 0 0 0 2 5 1 4 0 0 4 8 11 0 9 6 4 4 0 0 4 0 0 9 4 0 6 0 0 4 13 6 0 0 5 10 2 8 0 0 0 4 0 1 1 0 0 -3.969 31 17 8 5 1 0 1 8 0 4 3 20 745.511 0 0 0 0 -5 25 1147 2 0 0 5 0 1 0 3 0 0 0 1 2 0 0 0 5 1 3 8 0 0 12 6 10 3 13 12 1 5 0 0 5 0 0 10 6 0 10 0 0 5 16 10 0 0 # 7.779 11.535 24.836 # ARG 78 Env_2nnq_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 10 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 20 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 1 0 0 0 0 0 0 0 0 0 0 -0.1361 2 2 0 0 0 0 0 0 0 0 1 0 60.031 0 0 0 0 2 5 48 0 0 0 0 0 0 0 0 0 0 0 0 1 1 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 9 3 1 0 0 0 2 0 0 0 0 0 -2.5165 15 12 1 2 0 0 0 1 0 2 3 5 412.336 0 0 0 0 6 22 355 1 5 0 0 0 0 0 0 0 0 0 0 2 4 0 0 0 0 0 3 0 0 10 5 0 0 10 0 5 0 0 0 12 0 0 0 0 0 3 0 0 12 0 3 0 0 7 8 3 5 1 0 0 4 1 0 0 0 0 -2.241 29 18 6 5 0 0 0 5 1 4.5 3 21 733.59 0.333 0.333 0 0.333 -5 21 984 4 3 0 6 0 0 0 2 0 0 0 1 2 5 0 0 3 0 2 1 0 0 12 10 5 2 12 7 4 6 0 0 27 0 0 0 1 0 1 0 0 27 1 1 0 0 6 10 7 6 2 0 0 3 2 0 0 0 0 -3.6174 36 23 8 5 0 0 0 7 1 4 6 18 880.497 2.331 1.332 0.999 2.331 -3 55 1499 0 3 0 7 0 0 0 3 0 0 0 4 0 4 0 0 2 0 6 7 0 0 11 14 8 3 11 11 7 7 0 0 22 0 0 1 4 4 5 0 0 22 9 5 0 0 # 5.399 3.319 24.271 # MET 20 Env_2nnq_10 1 0 0 0 0 0 0 0 2 0 0 0 0 -0.832 3 1 0 2 0 0 0 0 0 1 0 0 48.853 0.999 0.999 0 0.999 -2 11 327 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 3 0 0 0 0 0 3 0 0 0 0 0 0 3 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0.0136 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 2 109 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 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 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0.056 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 109 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 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 1 0 0 0 1 3 0 0 0 0 0 1 0 1 0 0 0 -0.9518 6 4 0 2 0 0 1 0 0 1 0 3 162.691 0 0 0 0 0 7 482 0 0 0 0 0 0 3 0 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 4 2 0 0 2 1 3 0 0 0 0 0 6 0 0 0 0 0 0 6 0 0 0 3 7 0 4 0 1 0 3 0 1 0 0 0 -2.3964 19 10 5 4 0 0 1 4 1 3 0 12 476.797 1 0 1 1 -6 16 935 0 0 0 0 0 0 1 0 0 6 0 6 0 0 0 2 4 0 0 0 0 0 6 7 6 0 6 6 6 1 0 0 0 0 0 19 0 0 0 0 0 0 19 0 0 0 2 5 0 2 0 0 0 1 0 0 0 0 0 -0.0998 10 7 2 1 0 0 0 2 0 1 0 9 274.338 0 0 0 0 -2 1 319 0 0 0 0 0 0 0 0 0 3 0 1 0 0 0 2 4 0 0 0 0 0 3 1 6 0 3 6 1 0 0 0 0 0 0 10 0 0 0 0 0 0 10 0 0 0 # -3.09133 17.253 11.2313 # GLU 61 Env_2nnq_11 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 6 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 1 0 0 0 0 0 0 1 0 0 0 1 3 0 1 0 0 0 0 0 0 0 0 0 -0.2414 5 4 1 0 0 0 0 1 0 0 0 3 148.177 0 0 0 0 1 4 30 0 0 0 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 0 5 0 0 0 5 0 0 0 0 0 0 0 0 5 0 0 0 0 0 0 5 0 0 0 1 1 0 1 0 0 0 1 0 0 0 0 0 -0.3845 4 2 1 1 0 0 0 1 0 1 0 3 92.651 0 0 0 0 -1 3 142 0 0 0 0 0 0 0 0 0 2 0 1 0 0 0 0 1 0 0 0 0 0 2 1 1 0 2 1 1 0 0 0 0 0 0 4 0 0 0 0 0 0 4 0 0 0 2 5 2 0 2 0 1 3 0 0 0 1 0 -2.4928 16 9 3 3 1 0 0.5 1.5 1.5 3 2 9 399.726 0.999 0 0.999 1.499 -6 25 417 0 3 0 0 2 0 2 0 6 0 0 1 0 0 0 0 2 0 0 0 0 0 0 6 10 0 0 4 10 2 0 0 0 0 0 16 0 0 0 0 0 0 16 0 0 0 4 10 2 7 1 0 1 2 0 2 0 0 0 -4.3764 29 16 9 4 0 0 2 7.5 1.5 2 4 13 706.67 0 0 0 0.5 -7 44 900 0 4 0 0 3 0 2 0 4 0 0 4 0 0 0 0 7 0 2 3 0 0 3 10 16 0 3 12 12 2 0 0 2 0 0 27 0 0 0 0 0 2 27 0 0 0 6 16 2 3 0 0 0 6 0 1 0 0 0 -3.0714 34 24 3 7 0 0 1 3 0 6 2 18 916.155 0 0 0 0 1 36 803 0 2 0 0 1 6 1 0 0 0 2 1 0 0 0 0 3 0 2 16 0 0 18 4 12 0 18 12 3 1 0 0 2 0 0 32 0 0 0 0 0 2 32 0 0 0 # 12.4 10.444 16.338 # ILE 104 Env_2nnq_12 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 4 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 1 3 0 1 0 0 0 0 0 0 0 0 0 -0.5442 5 4 1 0 0 0 0 1 0 0 0 3 148.177 0 0 0 0 1 4 20 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 0 0 5 0 0 0 5 0 0 0 0 0 5 0 0 0 0 0 0 0 0 5 0 0 0 0 1 0 0 1 0 0 0 3 0 0 0 0 0 -1.5828 5 1 1 3 0 0 0 1 0 3 0 5 82.129 0 0 0 0 -4 0 152 0 0 0 0 0 0 1 1 0 0 0 0 1 0 0 0 0 0 1 1 0 0 2 1 1 1 2 2 0 1 0 0 4 0 0 0 1 0 0 0 0 4 1 0 0 0 2 4 4 3 3 0 0 1 0 0 1 0 0 -3.3915 18 10 6 1 1 0 0 4 2 1 3 9 451.065 0.999 0 0.999 0.999 -2 41 534 0 4 0 0 0 0 3 1 0 0 0 0 4 0 0 0 0 2 2 2 0 0 6 7 4 1 8 3 4 3 0 0 8 0 0 3 1 0 6 0 0 8 4 6 0 0 4 12 6 1 0 0 0 2 2 2 0 0 0 -2.1061 29 22 1 6 0 0 2 1 0 3 7 8 757.253 0.999 0.999 0 0.999 5 58 943 0 1 0 3 0 0 1 2 0 0 0 4 5 0 0 0 2 2 7 2 0 0 7 9 11 2 9 11 5 4 0 0 14 0 0 7 5 0 3 0 0 14 12 3 0 0 3 8 2 1 0 1 1 3 0 0 1 0 0 -1.9388 20 13 3 3 1 0 0 1 2 3 3 6 532.008 1.333 0.333 1 1.333 6 37 759 0 1 0 3 0 1 2 0 0 0 0 2 2 0 0 0 1 3 2 3 0 0 5 8 7 0 8 4 3 5 0 0 8 0 0 6 2 0 4 0 0 8 8 4 0 0 # 10.208 8.117 26.598 # VAL 23 Env_2nnq_13 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 24 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 1 0 0 0 0 0 0 1 0 0 0 1 3 0 1 0 0 0 0 0 0 0 0 0 -0.2414 5 4 1 0 0 0 0 1 0 0 0 3 148.177 0 0 0 0 1 4 120 0 0 0 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 0 5 0 0 0 5 0 0 0 0 0 0 0 0 5 0 0 0 0 0 0 5 0 0 0 1 1 0 1 0 0 0 2 0 0 0 0 0 -1.0948 5 2 1 2 0 0 0 1 0 2 0 4 104.145 0 0 0 0 -2 3 321 0 0 0 0 0 0 2 0 0 2 0 0 0 0 0 1 0 0 0 0 0 0 2 2 1 0 2 1 0 2 0 0 0 0 0 5 0 0 0 0 0 0 5 0 0 0 1 2 3 0 0 0 0 2 1 0 0 0 0 -1.7454 9 6 0 3 0 0 0 0 0 2.5 3 5 217.218 0.333 0.333 0 0.333 0 16 382 0 0 0 0 0 0 2 0 0 1 0 0 0 3 0 3 0 0 0 0 0 0 4 2 3 0 4 3 0 2 0 0 0 0 0 9 0 0 0 0 0 0 9 0 0 0 2 11 5 3 0 0 0 0 1 1 0 0 0 -1.4966 23 18 3 2 0 0 1 3 0 0.5 5 5 623.067 0.666 0.666 0 0.666 8 43 715 0 0 0 0 0 0 7 0 1 7 0 0 0 6 0 2 0 0 0 0 0 0 13 7 3 0 13 2 1 7 0 0 0 0 0 23 0 0 0 0 0 0 23 0 0 0 6 11 5 4 0 0 2 5 1 1 0 0 0 -4.1087 35 22 6 7 0 0 1 5 1 5.5 7 18 863.43 0.666 0.666 0 1.666 -3 44 1327 0 0 0 2 0 0 5 0 2 4 0 2 0 7 0 0 11 0 0 2 0 0 13 9 13 0 13 11 4 7 0 0 0 0 0 35 0 0 0 0 0 0 35 0 0 0 # 3.467 16.993 14.365 # ILE 62 Env_2nnq_14 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 41 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 0 1 0 0 0 0 0 1 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 82 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 0 0 0 0 2 0 0 0 0 0 2 0 0 0 2 0 0 1 0 0 0 1 0 0 0 0 0 0.1102 4 2 1 1 0 0 0 1 0 1 0 4 92.651 0 0 0 0 -2 0 126 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 2 1 1 0 2 1 0 1 0 0 0 0 0 0 3 0 1 0 0 0 3 1 0 0 0 6 3 0 0 1 0 1 0 1 0 0 0 -2.0856 12 9 1 2 0 0 1 0 1 1 3 3 342.784 1 0 1 1 4 29 573 0 0 0 1 0 0 0 0 0 0 0 5 0 3 0 0 3 0 0 0 0 0 3 6 3 0 3 3 5 1 0 0 0 0 0 1 1 3 7 0 0 0 5 7 0 0 3 5 2 2 0 0 0 2 1 1 0 0 0 -1.4386 16 10 2 4 0 0 1 2 0 2.5 2 7 384.805 0.666 0.666 0 0.666 -2 18 759 0 0 0 5 0 0 0 0 0 0 0 3 0 2 0 0 5 0 0 1 0 0 3 8 5 0 3 5 3 5 0 0 0 0 0 3 4 2 7 0 0 0 9 7 0 0 4 7 1 3 1 0 0 3 1 1 0 0 0 -3.6427 21 12 4 5 0 0 1 3.5 0.5 3.5 1 13 527.747 0.666 0.333 0.333 0.666 -4 20 1262 1 1 4 3 0 0 0 0 0 0 0 1 0 4 0 1 5 0 0 1 0 0 6 5 10 0 6 10 2 3 0 0 2 0 0 4 2 4 9 0 0 2 10 9 0 0 # 1.049 9.349 20.799 # ALA 75 Env_2nnq_15 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 32 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 0 0 0 1 0 0 0 0 0 0 1 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 96 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 0 0 0 3 0 0 0 0 0 0 3 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 -0.2328 3 3 0 0 0 0 0 0 0 0 0 0 100.53 0 0 0 0 2 7 70 0 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 0 0 1 0 2 0 0 0 0 0 0 3 0 0 0 0 0 0 3 0 0 0 0 5 2 0 0 0 1 0 0 0 0 0 0 -0.4558 8 7 1 0 0 0 0 0.5 0.5 0 3 0 228.787 0 0 0 0.5 4 17 65 0 1 0 0 0 0 0 0 4 2 0 0 0 0 0 0 0 0 0 1 0 0 3 1 4 0 3 0 5 0 0 0 0 0 0 8 0 0 0 0 0 0 8 0 0 0 2 13 1 2 0 0 1 2 0 0 1 0 0 -2.5951 22 16 3 2 1 0 0 2.5 0.5 2 2 10 627.533 0 0 0 0.5 5 32 554 0 2 0 0 0 0 0 0 3 9 0 4 2 0 0 0 0 0 0 2 0 0 13 6 3 0 13 0 9 0 0 0 0 0 0 22 0 0 0 0 0 0 22 0 0 0 5 12 2 4 0 0 0 3 1 0 0 1 0 -3.3514 28 19 4 4 1 0 0.5 4 0 3.5 2 13 764.692 0.333 0.333 0 0.333 3 40 337 0 1 0 0 1 1 3 0 3 6 7 0 1 2 0 0 0 0 0 3 0 0 19 4 5 0 19 2 4 3 0 0 0 0 0 28 0 0 0 0 0 0 28 0 0 0 # 9.175 10.825 13.238 # ARG 106 Env_2nnq_16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 21 348 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 6 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 58 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 0 0 1 0 0 0 0 1 0 0 0 1 6 0 2 0 0 0 3 0 0 0 0 0 -2.5934 12 7 2 3 0 0 0 2 0 3 0 8 297.326 0 0 0 0 -1 6 545 4 0 0 0 0 0 0 0 0 0 0 2 0 3 0 0 2 0 0 1 0 0 8 2 2 0 8 2 2 0 0 0 6 0 0 0 1 3 2 0 0 6 4 2 0 0 4 11 0 2 0 0 0 2 0 1 0 0 0 -0.3582 20 15 2 3 0 0 1 2 0 2 0 13 571.069 0 0 0 0 0 11 961 6 0 0 2 0 0 0 0 0 0 0 3 0 1 0 1 3 0 0 4 0 0 11 5 4 0 11 4 3 2 0 0 9 0 0 0 5 1 5 0 0 9 6 5 0 0 3 5 0 6 0 1 0 3 0 2 1 0 0 -4.7101 21 8 7 5 1 0 2 6 1 3 0 13 481.729 1 0 1 1 -8 20 1243 2 2 1 2 0 0 0 1 0 0 0 4 1 0 0 1 5 0 0 2 0 0 5 8 7 1 5 8 6 2 0 0 9 0 0 1 3 2 6 0 0 9 6 6 0 0 # -1.39067 5.276 22.7752 # PHE 57 Env_2nnq_17 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 8 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 16 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 0 0 0 0 -0.357 5 2 1 2 0 0 0 1 0 2 0 5 104.145 0 0 0 0 -3 0 185 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 1 0 0 3 0 1 1 3 2 0 0 0 0 5 0 0 0 0 0 0 0 0 5 0 0 0 0 2 6 7 1 0 0 0 2 0 0 1 0 0 -2.0801 19 15 1 2 1 0 0 1 0 2 7 8 511.431 0 0 0 0 8 35 931 0 3 0 0 0 0 0 1 0 0 0 0 2 8 0 0 2 0 0 3 0 0 13 3 2 1 13 3 3 0 0 0 12 0 0 0 0 7 0 0 0 12 7 0 0 0 2 9 2 4 0 0 0 1 0 0 0 0 0 -1.4524 18 13 4 1 0 0 0 4 0 1 2 9 489.694 0 0 0 0 3 18 962 2 2 0 0 0 0 0 1 0 0 0 4 2 2 0 0 2 0 0 3 0 0 9 6 2 1 9 3 6 0 0 0 15 0 0 0 0 0 3 0 0 15 0 3 0 0 5 13 2 4 2 0 0 5 0 2 0 0 0 -5.1722 33 20 6 7 0 0 2 5 1 5 2 18 847.47 0.666 0 0.666 0.666 -2 34 1608 8 3 0 3 0 0 0 1 0 0 0 2 4 6 0 1 2 0 0 3 0 0 21 8 3 1 21 4 5 3 0 0 14 0 0 2 6 4 7 0 0 14 12 7 0 0 # 1.507 2.756 22.935 # ALA 33 Env_2nnq_18 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 39 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 0 0 0 1 0 0 0 0 0 0 1 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 3 117 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 0 0 0 3 0 0 0 0 0 0 3 0 0 0 2 3 0 1 0 0 0 1 0 0 0 0 0 0.1675 7 5 1 1 0 0 0 1 0 1 0 4 193.181 0 0 0 0 -1 9 484 0 0 2 0 0 0 0 0 0 0 0 3 0 0 0 0 2 0 0 0 0 0 0 3 4 0 0 4 3 0 0 0 0 0 0 2 0 0 5 0 0 0 2 5 0 0 1 5 0 3 0 1 0 2 0 0 0 0 0 -2.5398 12 6 4 2 0 0 0 3 1 2 0 9 299.969 1 0 1 1 -2 7 801 3 0 2 0 0 0 1 0 0 0 0 5 0 0 0 0 1 0 0 0 0 0 3 6 3 0 3 3 5 1 0 0 0 0 0 2 3 0 7 0 0 0 5 7 0 0 3 3 0 1 0 0 0 4 0 1 0 0 0 -1.4351 12 6 1 5 0 0 1 1 0 4 0 9 278.33 0 0 0 0 -5 4 564 2 0 1 0 0 0 1 0 0 0 0 1 0 0 0 4 2 0 0 1 0 0 3 2 7 0 3 7 1 1 0 0 0 0 0 6 2 0 4 0 0 0 8 4 0 0 5 4 2 7 0 0 0 2 0 1 0 0 0 -2.5044 21 11 7 3 0 0 1 7 0 2 2 15 491.097 0 0 0 0 -7 15 1308 0 0 2 1 0 0 5 0 0 1 0 1 0 4 0 4 2 0 0 1 0 0 6 7 8 0 6 8 1 6 0 0 0 0 0 8 1 4 8 0 0 0 13 8 0 0 # -1.533 11.194 18.182 # THR 60 Env_2nnq_19 0 0 0 1 0 0 0 0 0 0 0 0 0 -0.2547 1 0 1 0 0 0 0 1 0 0 0 1 14.137 0 0 0 0 -1 0 16 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 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 4 0 0 0 0 0 0 0 0 0 0 0 0.5941 5 5 0 0 0 0 0 0 0 0 0 2 167.55 0 0 0 0 2 4 80 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 0 0 0 0 0 0 0 5 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 5 0 0 0 0 5 0 0 1 1 0 1 0 0 0 2 0 0 0 0 0 -1.0856 5 2 1 2 0 0 0 1 0 2 0 5 104.145 0 0 0 0 -3 0 478 0 0 1 0 0 0 0 0 0 0 0 3 0 0 1 0 0 0 0 0 0 0 1 3 1 0 1 1 3 0 0 0 0 0 0 1 0 0 4 0 0 0 1 4 0 0 1 6 0 1 1 0 0 3 0 3 0 0 0 -4.6862 15 7 2 6 0 0 3 1.5 0.5 3 0 6 359.089 0.333 0 0.333 0.333 -4 23 615 3 1 2 0 0 0 1 0 0 0 2 2 0 0 0 3 0 0 1 0 0 0 5 4 6 0 5 6 3 1 0 0 0 0 0 7 0 0 8 0 0 0 7 8 0 0 3 9 2 2 0 0 0 1 0 0 0 0 0 0.4822 17 14 2 1 0 0 0 2 0 1 2 7 476.057 0.333 0 0.333 0.333 3 29 701 1 1 3 0 0 0 1 0 0 0 4 2 0 0 0 3 0 0 2 0 0 0 5 4 8 0 5 8 3 1 0 0 0 0 0 11 0 0 6 0 0 0 11 6 0 0 6 6 2 6 2 0 0 6 0 1 0 0 0 -5.4648 29 14 8 7 0 0 1 6.5 1.5 6 2 20 668.474 0.333 0 0.333 0.333 -11 27 1451 2 2 2 0 0 0 2 0 0 0 2 3 5 2 0 4 2 1 2 0 0 0 11 7 11 0 12 10 5 2 0 0 3 0 0 16 0 4 6 0 0 3 20 6 0 0 # 0.4274 2.5964 14.5682 # PRO 38 Env_2nnq_20 1 0 0 0 0 0 0 0 2 0 0 0 0 -0.832 3 1 0 2 0 0 0 0 0 1 0 0 48.853 0.999 0.999 0 0.999 -2 11 66 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 3 0 0 0 0 0 3 0 0 0 0 0 0 3 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0.0136 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 2 22 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 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 1 0 0 0 0 1 1 1 0 0 1 0 0 0 0 0 0 -1.0007 4 2 2 0 0 0 0 1.5 0.5 0 2 0 105.039 0 0 0 0.5 -1 13 36 0 0 0 0 0 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 0 0 1 2 1 0 0 0 0 0 4 0 0 0 0 0 0 4 0 0 0 2 7 3 0 0 0 1 0 0 1 0 0 0 -1.2263 14 12 1 1 0 0 1 0.5 0.5 0 4 2 399.516 0 0 0 0.5 5 32 191 0 0 0 0 0 2 2 0 2 2 0 0 0 2 0 2 1 0 0 1 0 0 5 2 7 0 5 5 2 2 0 0 0 0 0 13 0 0 1 0 0 0 13 1 0 0 2 8 3 3 0 0 0 4 0 0 0 0 0 -2.0666 20 13 3 4 0 0 0 3 0 4 3 11 497.108 0 0 0 0 -1 19 784 0 0 0 2 0 2 2 0 1 2 0 0 0 2 0 1 3 0 0 5 0 0 9 4 7 0 9 6 1 4 0 0 0 0 0 17 0 0 3 0 0 0 17 3 0 0 7 11 2 7 2 0 0 7 0 1 0 0 0 -5.6694 37 20 9 8 0 0 1 8 1 7 2 25 895.712 0.666 0 0.666 0.666 -8 33 1163 1 3 0 1 0 2 2 0 1 5 0 2 0 4 0 3 5 0 0 8 0 0 18 8 11 0 18 10 6 3 0 0 0 0 0 31 1 0 5 0 0 0 32 5 0 0 # 6.25533 15.839 18.489 # GLU 72 Env_2nnq_21 1 0 0 0 0 0 0 0 2 0 0 0 0 -0.8035 3 1 0 2 0 0 0 0 0 1 0 0 48.853 0.999 0.999 0 0.999 -2 8 114 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 3 0 0 0 0 0 0 3 0 0 0 0 0 3 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0303 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 38 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 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 1 1 1 1 2 0 0 1 0 1 0 0 0 -1.7842 8 3 3 2 0 0 1 1.5 1.5 1 0 4 175.395 0.666 0 0.666 0.666 -5 17 266 0 3 0 4 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 7 1 0 0 1 3 4 0 0 0 0 0 0 4 0 4 0 0 0 4 4 0 0 1 6 0 2 1 0 0 0 0 0 0 0 0 -1.3158 10 7 3 0 0 0 0 2.5 0.5 0 0 3 287.273 0.333 0 0.333 0.333 1 17 369 1 5 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 2 0 0 3 6 1 0 3 1 5 1 0 0 1 0 0 0 1 0 8 0 0 1 1 8 0 0 2 12 0 3 0 0 0 3 0 0 0 0 0 -2.5713 20 14 3 3 0 0 0 3 0 3 0 13 546.033 0 0 0 0 1 10 837 4 1 0 4 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 5 0 0 9 5 6 0 9 6 1 4 0 0 2 0 0 0 4 0 14 0 0 2 4 14 0 0 5 8 3 2 0 0 0 5 0 0 1 0 0 -1.7946 24 16 2 5 1 0 0 2 0 5 3 14 627.458 0 0 0 0 1 29 712 0 2 0 0 0 1 0 5 0 0 0 0 5 2 0 0 1 1 0 7 0 0 14 2 3 5 15 7 2 0 0 0 10 0 0 4 4 2 4 0 0 10 10 4 0 0 # 4.85133 9.84567 25.4883 # ASP 76 Env_2nnq_22 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 36 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 0 0 0 3 0 0 0 0 0 0 3 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 12 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 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 -0.0035 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 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 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 5 3 1 2 0 1 0 2 1 0 0 0 -4.0321 16 9 4 3 0 0 1 2.5 1.5 1 3 2 390.755 1.998 0.999 0.999 2.498 -3 50 220 0 3 0 0 0 2 3 0 3 1 0 0 0 0 0 1 2 0 0 1 0 0 2 6 8 0 2 5 6 3 0 0 0 0 0 12 0 0 4 0 0 0 12 4 0 0 3 9 3 1 1 0 1 4 0 3 0 0 0 -3.1504 25 15 3 7 0 0 3 1.5 1.5 4 4 9 622.041 0 0 0 0.5 -3 39 381 0 1 0 0 0 2 2 0 3 1 0 1 0 0 0 1 7 2 1 4 0 0 5 4 16 0 7 11 5 2 0 0 1 0 0 20 0 0 4 0 0 1 20 4 0 0 8 15 4 9 1 0 0 3 1 0 0 0 0 -4.0652 41 27 10 4 0 0 0 9.5 0.5 3.5 5 28 1058.22 0.666 0.333 0.333 0.666 -5 42 1097 1 4 0 1 0 0 3 0 3 4 0 4 0 0 0 2 7 3 2 7 0 0 12 12 17 0 15 11 11 4 0 0 3 0 0 31 2 0 5 0 0 3 33 5 0 0 # 9.11767 13.6643 20.6327 # GLN 95 Env_2nnq_23 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 21 228 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 38 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 4 2 0 3 0 0 1 0 1 1 0 0 -2.5422 13 7 3 2 1 0 1 1 2 1 1 3 339.259 0.999 0 0.999 0.999 -1 38 235 0 5 0 0 0 0 0 0 0 0 0 0 3 3 0 1 0 0 1 0 0 0 6 5 2 0 6 2 5 0 0 0 7 0 0 6 0 0 0 0 0 7 6 0 0 0 1 6 2 3 0 0 0 1 0 1 0 1 0 -2.2355 15 9 3 2 1 0 1.5 3 0 1 2 7 379.253 0 0 0 0 -1 15 443 0 1 2 2 1 0 0 0 0 0 0 0 3 1 0 2 0 0 3 0 0 0 4 3 8 0 4 8 1 2 0 0 9 0 0 4 0 2 0 0 0 9 6 0 0 0 6 10 2 3 0 0 0 5 0 0 0 0 0 -1.7977 26 18 3 5 0 0 0 3 0 5 3 18 676.152 0 0 0 0 -3 17 695 4 2 0 4 1 0 1 4 0 0 0 0 0 0 0 3 0 0 7 0 0 0 4 7 11 4 4 15 2 5 0 0 19 0 0 7 0 0 0 0 0 19 7 0 0 0 # 7.30483 2.736 20.3768 # PHE 16 Env_2nnq_24 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 16 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 0 0 0 1 0 0 0 0 0 0 1 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 48 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 0 0 0 3 0 0 0 0 0 0 3 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 16 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 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 7 6 0 0 0 0 0 0 2 0 0 0 -2.1544 15 13 0 2 0 0 2 0 0 0 6 0 422.068 0 0 0 0 10 42 467 0 2 0 0 0 0 0 0 0 0 3 0 0 7 0 2 0 0 1 0 0 0 10 2 3 0 10 3 2 0 0 0 7 0 0 8 0 0 0 0 0 7 8 0 0 0 2 6 1 1 0 0 0 4 0 1 0 0 0 -3.0192 15 9 1 5 0 0 1 1 0 4 2 9 358.94 0 0 0 0 -3 15 387 2 1 0 0 0 0 0 1 0 0 1 0 0 1 2 5 0 0 2 0 0 0 6 1 7 1 6 8 1 0 0 0 3 0 0 9 0 0 3 0 0 3 9 3 0 0 8 11 2 8 0 0 0 7 0 0 0 1 0 -3.2456 37 21 8 7 1 0 0.5 8 0 7 2 29 909.807 0 0 0 0 -10 19 1526 5 3 0 0 1 0 2 3 0 0 1 4 1 3 4 4 2 0 2 2 0 0 16 9 9 3 16 12 7 2 0 0 8 0 0 17 0 0 12 0 0 8 17 12 0 0 # 5.852 1.193 16.998 # ARG 126 Env_2nnq_25 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 51 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 3 153 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 0 0 0 0 0 0 0.1816 2 1 1 0 0 0 0 1 0 0 0 2 47.647 0 0 0 0 -1 0 102 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 2 0 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 1 2 0 1 0 0 0 3 0 0 0 0 0 -1.7399 7 3 1 3 0 0 0 1 0 3 0 6 149.149 0 0 0 0 -3 2 331 3 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 1 0 0 4 1 1 1 4 2 1 0 0 0 5 0 0 0 0 0 2 0 0 5 0 2 0 0 3 6 2 3 0 0 0 2 0 0 0 0 0 -1.0475 16 11 3 2 0 0 0 3 0 2 2 11 420.031 0 0 0 0 0 12 969 2 1 0 3 0 0 0 3 0 0 0 0 0 5 0 0 0 0 0 2 0 0 9 4 0 3 9 3 1 3 0 0 6 0 0 0 3 2 5 0 0 6 5 5 0 0 4 11 3 4 0 0 0 2 1 0 0 0 0 -2.2603 25 18 4 3 0 0 0 4 0 2.5 3 12 657.013 0.666 0.666 0 0.666 4 26 1301 4 3 0 5 0 0 0 0 0 0 0 1 0 4 0 0 0 0 0 8 0 0 16 9 0 0 16 0 4 5 0 0 12 0 0 0 6 3 4 0 0 12 9 4 0 0 # -0.405 5.473 29 # THR 29 Env_2nnq_26 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 80 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 1 3 0 1 0 0 0 0 0 0 0 0 0 -0.5442 5 4 1 0 0 0 0 1 0 0 0 3 148.177 0 0 0 0 1 4 400 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 0 0 5 0 0 0 5 0 0 0 0 0 5 0 0 0 0 0 0 0 0 5 0 0 0 0 1 0 0 1 0 0 0 2 0 0 0 0 0 -0.8174 4 1 1 2 0 0 0 1 0 2 0 4 70.635 0 0 0 0 -3 0 243 2 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 3 1 0 0 3 0 1 0 0 0 4 0 0 0 0 0 0 0 0 4 0 0 0 0 2 3 2 0 0 0 0 2 0 0 0 0 0 -0.5036 9 7 0 2 0 0 0 0 0 2 2 7 243.58 0 0 0 0 0 7 521 2 0 0 0 0 0 0 0 0 0 0 2 0 2 0 0 3 0 0 0 0 0 4 2 3 0 4 3 2 0 0 0 7 0 0 0 0 2 0 0 0 7 2 0 0 0 2 9 2 5 0 0 0 1 0 0 0 0 0 -1.5986 19 13 5 1 0 0 0 5 0 1 2 11 497.889 0 0 0 0 1 14 1087 3 4 0 0 0 0 0 1 0 0 0 2 2 4 0 0 3 0 0 0 0 0 9 6 3 1 9 4 6 0 0 0 15 0 0 0 0 4 0 0 0 15 4 0 0 0 5 7 2 3 0 0 0 4 0 2 0 0 0 -2.5403 23 14 3 6 0 0 2 3 0 4 2 15 577.863 0 0 0 0 -3 17 1781 6 0 0 0 0 0 0 2 0 0 0 1 3 7 0 0 4 0 0 0 0 0 16 1 4 2 16 6 1 0 0 0 12 0 0 0 0 8 3 0 0 12 8 3 0 0 # -2.796 0.734 25.265 # VAL 32 Env_2nnq_27 0 0 0 0 0 1 0 0 0 0 0 0 0 -0.3853 1 0 1 0 0 0 0 0 1 0 0 0 33.51 1 0 1 1 1 5 142 0 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 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 -0.062 2 2 0 0 0 0 0 0 0 0 0 0 67.02 0 0 0 0 0 7 284 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 -0.5493 2 1 0 1 0 0 0 0 0 1 0 1 45.004 0 0 0 0 0 2 286 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 1 0 0 0 1 0 0 0 0 0 1 0 0 1 0 1 0 0 2 3 0 2 0 0 0 2 0 0 0 0 0 -0.9778 9 5 2 2 0 0 0 2 0 2 0 8 218.812 0 0 0 0 -3 1 764 3 0 0 0 0 0 0 1 0 0 0 3 2 0 0 0 0 0 0 0 0 0 5 3 0 1 5 1 3 0 0 0 3 0 0 0 0 0 6 0 0 3 0 6 0 0 1 4 0 1 0 0 0 0 0 0 1 0 0 -0.4896 7 5 1 0 1 0 0 1 0 0 0 3 208.208 0 0 0 0 3 11 639 1 0 0 0 0 0 0 1 0 0 1 0 4 0 0 0 0 0 0 0 0 0 6 0 0 1 6 1 0 0 0 0 5 0 0 1 0 0 1 0 0 5 1 1 0 0 2 7 0 2 2 0 0 3 0 1 0 0 0 -3.1762 17 9 4 4 0 0 1 3 1 3 0 8 430.361 0.666 0 0.666 0.666 -4 22 748 3 2 0 0 0 0 0 1 0 0 3 2 1 0 2 3 0 0 0 0 0 0 9 4 3 1 9 4 4 0 0 0 4 0 0 8 0 0 5 0 0 4 8 5 0 0 # 1.362 -4.874 16.598 # LYS 37 Env_2nnq_28 0 0 0 0 0 0 0 0 0 1 0 0 0 -0.6546 1 0 0 1 0 0 1 0 0 0 0 0 17.157 0 0 0 0 -1 2 25 0 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 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0.1868 2 2 0 0 0 0 0 0 0 0 0 1 67.02 0 0 0 0 0 1 50 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 1 1 0 4 0 0 0 2 0 0 0 0 0 -2.1889 8 2 4 2 0 0 0 4 0 2 0 7 146.556 0 0 0 0 -5 1 450 0 0 0 0 0 0 0 0 0 0 0 2 0 2 0 3 1 0 0 0 0 0 2 2 4 0 2 4 2 0 0 0 0 0 0 0 0 3 5 0 0 0 3 5 0 0 4 8 2 0 0 0 0 1 0 0 0 0 0 1.2817 15 14 0 1 0 0 0 0 0 1 2 9 460.714 0 0 0 0 5 10 932 1 0 0 0 0 0 2 0 0 0 0 3 0 4 3 0 2 0 0 0 0 0 8 5 2 0 8 2 3 2 0 0 0 0 0 0 0 6 9 0 0 0 6 9 0 0 5 8 2 6 0 0 0 3 0 2 0 0 0 -2.5097 26 15 6 5 0 0 2 6 0 3 2 15 639.651 0 0 0 0 -7 23 1892 2 0 5 0 0 0 2 0 0 0 0 3 0 3 3 4 4 0 0 0 0 0 8 5 13 0 8 13 3 2 0 0 0 0 0 5 0 7 14 0 0 0 12 14 0 0 1 8 2 2 0 0 0 8 0 1 0 0 0 -6.6013 22 11 2 9 0 0 1 2 0 8 2 12 492.015 0 0 0 0 -4 24 1234 6 0 5 0 0 0 1 0 0 0 0 3 0 2 1 1 2 0 0 1 0 0 10 4 8 0 10 8 3 1 0 0 4 0 0 5 1 2 10 0 0 4 8 10 0 0 # -2.806 4.637 17.114 # SER 55 Env_2nnq_29 0 0 0 0 0 1 0 0 0 0 0 0 0 -0.3853 1 0 1 0 0 0 0 0 1 0 0 0 33.51 1 0 1 1 1 5 78 0 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 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 -0.062 2 2 0 0 0 0 0 0 0 0 0 0 67.02 0 0 0 0 0 7 156 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 0 0 0 0 2 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 0 0 0 0 0 0 2 0 0 0 0 -0.8227 5 3 0 2 0 0 0 0 0 1 0 0 115.873 0.999 0.999 0 0.999 0 14 457 0 0 0 0 0 0 3 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 5 0 0 0 0 2 3 0 0 0 0 0 3 0 0 2 0 0 0 3 2 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0.0003 3 2 0 1 0 0 0 0 0 0.5 0 0 68.226 0.666 0.666 0 0.666 0 9 301 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 3 0 0 0 0 0 1 0 0 2 0 0 0 1 2 0 0 2 11 0 3 0 0 0 3 1 0 0 0 0 -3.0948 20 13 3 4 0 0 0 3 0 3.5 0 11 526.66 0.333 0.333 0 0.333 1 17 1376 0 0 1 0 0 0 6 0 0 4 0 4 0 0 0 4 1 0 0 0 0 0 4 10 6 0 4 6 4 6 0 0 0 0 0 16 0 0 4 0 0 0 16 4 0 0 # -6.634 12.901 9.342 # LYS 52 Env_2nnq_30 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 9 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 9 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 1 0 0 0 0 0 0 0 0 0 -0.3944 2 1 1 0 0 0 0 1 0 0 0 2 47.647 0 0 0 0 -1 0 18 0 0 0 0 2 0 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 0 0 0 2 0 0 0 0 0 0 2 0 0 0 4 6 5 1 0 0 0 4 0 1 0 0 0 -2.7341 21 15 1 5 0 0 1 1 0 4 6 9 532.044 0 0 0 0 4 38 463 0 1 0 0 2 0 4 0 0 3 0 0 0 2 0 1 0 0 5 3 0 0 8 5 8 0 8 8 1 4 0 0 7 0 0 14 0 0 0 0 0 7 14 0 0 0 2 10 3 6 2 0 0 1 0 1 0 0 0 -3.716 25 15 8 2 0 0 1 6.5 1.5 1 3 12 634.222 0.333 0 0.333 0.333 -2 33 504 0 5 0 0 0 0 1 0 0 4 0 1 0 1 0 5 2 0 3 3 0 0 8 7 10 0 8 10 6 1 0 0 4 0 0 21 0 0 0 0 0 4 21 0 0 0 5 12 5 1 2 0 0 5 0 1 0 0 0 -2.1095 31 22 3 6 0 0 1 1.5 1.5 5 3 16 818.221 0.999 0 0.999 0.999 1 43 1315 0 7 0 0 0 0 1 0 0 1 0 3 0 5 0 0 7 0 0 7 0 0 13 11 7 0 13 7 10 1 0 0 5 0 0 26 0 0 0 0 0 5 26 0 0 0 # 11.2 6.11 17.627 # CYS 117 Env_2nnq_31 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 8 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 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 3 0 1 0 0 0 0 0 0 0 0 0 -0.5442 5 4 1 0 0 0 0 1 0 0 0 3 148.177 0 0 0 0 1 4 40 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 0 0 5 0 0 0 5 0 0 0 0 0 0 0 0 5 0 0 0 0 0 0 5 0 0 0 1 0 0 1 0 0 0 2 0 0 0 0 0 -1.0763 4 1 1 2 0 0 0 1 0 2 0 4 70.635 0 0 0 0 -3 0 96 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 2 2 0 0 2 0 1 1 0 0 0 0 0 4 0 0 0 0 0 0 4 0 0 0 1 6 2 1 1 0 0 2 0 0 0 0 0 -1.9591 13 9 2 2 0 0 0 1 1 2 2 7 345.316 0 0 0 0 1 16 347 0 7 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 2 2 0 0 2 9 2 0 2 2 8 1 0 0 0 0 0 13 0 0 0 0 0 0 13 0 0 0 5 13 2 5 1 0 0 3 0 0 0 1 0 -2.271 30 20 6 3 1 0 0.5 5.5 0.5 3 2 15 787.524 0.666 0 0.666 0.666 -1 42 875 0 7 0 0 2 0 4 0 0 1 3 2 1 0 0 1 2 0 2 5 0 0 10 13 7 0 10 7 9 4 0 0 0 0 0 30 0 0 0 0 0 0 30 0 0 0 5 17 2 3 2 0 0 4 0 1 1 0 0 -3.9596 35 24 5 5 1 0 1 3.5 1.5 4 2 16 954.404 0.666 0.333 0.333 0.666 3 49 824 0 3 0 0 2 0 1 0 0 5 5 4 1 0 0 1 4 0 6 3 0 0 14 8 13 0 14 13 7 1 0 0 0 0 0 35 0 0 0 0 0 0 35 0 0 0 # 10.65 5.423 12.621 # VAL 115 Env_2nnq_32 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 6 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 0 0 0 0 0 0 1 0 0 0 0 1 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 18 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 0 0 0 0 0 0 3 0 0 0 0 3 0 0 2 2 0 5 1 0 0 2 1 0 0 0 0 -3.5676 13 4 6 3 0 0 0 5 1 2.5 0 9 249.498 0.666 0.666 0 0.666 -8 10 481 1 5 0 4 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 1 9 3 0 1 3 5 4 0 0 0 0 0 0 4 0 9 0 0 0 4 9 0 0 5 6 1 0 2 0 0 2 1 0 0 0 0 0.2997 17 12 2 3 0 0 0 1 1 2.5 0 10 475.172 1.332 0.333 0.999 1.332 -3 26 906 2 6 0 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 4 13 0 0 4 0 6 7 0 0 0 0 0 2 7 0 8 0 0 0 9 8 0 0 1 8 0 3 0 0 0 4 0 0 0 0 0 -4.7071 16 9 3 4 0 0 0 3 0 4 0 8 400.269 0 0 0 0 -1 17 1102 2 0 0 2 0 2 2 0 0 0 0 2 0 0 0 0 0 0 0 6 0 0 8 6 2 0 8 2 2 4 0 0 0 0 0 12 2 0 2 0 0 0 14 2 0 0 4 10 0 1 0 1 0 1 3 0 0 0 0 -1.5061 20 14 2 4 0 0 0 1 1 2.5 0 5 531.899 2.665 1.665 1 2.665 4 37 1127 0 0 0 2 0 2 6 0 0 0 0 4 0 0 0 0 0 0 0 6 0 0 6 12 2 0 6 2 4 8 0 0 1 0 0 15 0 0 4 0 0 1 15 4 0 0 # 4.225 12.812 23.967 # THR 74 Env_2nnq_33 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 8 108 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 0 0 0 3 0 0 0 0 0 0 3 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 36 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 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 1 0 3 0 0 0 2 0 0 0 0 0 -1.8859 7 2 3 2 0 0 0 3 0 2 0 7 132.419 0 0 0 0 -5 0 347 0 0 4 0 0 0 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 2 4 0 1 4 0 2 0 0 0 0 0 5 0 0 2 0 0 0 5 2 0 0 4 7 0 0 0 0 0 1 0 0 0 0 0 1.7044 12 11 0 1 0 0 0 0 0 1 0 8 380.104 0 0 0 0 3 8 572 0 0 0 0 0 0 4 0 0 2 0 0 2 0 1 2 0 1 0 0 0 0 5 4 3 0 6 2 0 4 0 0 0 0 0 7 0 0 5 0 0 0 7 5 0 0 3 7 0 4 0 0 0 4 2 1 0 0 0 -4.0784 21 10 4 7 0 0 1 4 0 5 0 12 470.124 0.999 0.999 0 0.999 -7 19 852 0 0 0 0 0 0 3 0 0 3 0 2 2 0 3 5 1 2 0 0 0 0 8 5 8 0 10 6 2 3 0 0 0 0 0 14 0 0 7 0 0 0 14 7 0 0 3 16 1 3 0 0 0 1 0 1 0 0 0 -1.4532 25 20 3 2 0 0 1 3 0 1 1 11 744.565 0 0 0 0 3 29 1527 0 0 1 0 0 0 0 0 0 2 0 10 1 0 2 2 4 2 1 0 0 0 5 10 10 0 7 8 10 0 0 0 0 0 0 18 0 0 7 0 0 0 18 7 0 0 # -2.574 5.59133 9.50333 # ASN 39 Env_2nnq_34 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 10 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 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 3 0 1 0 0 0 0 0 0 0 0 0 -0.5442 5 4 1 0 0 0 0 1 0 0 0 3 148.177 0 0 0 0 1 4 50 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 0 0 5 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 5 0 0 0 0 5 0 0 1 1 0 1 0 0 0 2 0 0 0 0 0 -0.9152 5 2 1 2 0 0 0 1 0 2 0 4 104.145 0 0 0 0 -2 2 150 0 1 0 0 0 0 0 2 0 0 0 0 1 0 0 0 0 0 0 1 0 0 2 1 0 2 2 2 1 0 0 0 2 0 0 0 1 0 2 0 0 2 1 2 0 0 3 8 0 1 0 0 0 2 1 0 1 0 0 -0.6533 16 11 1 3 1 0 0 1 0 2.5 0 8 433.462 0.666 0.666 0 0.666 1 16 525 0 2 0 3 0 0 0 6 0 0 0 0 5 0 0 0 0 0 0 0 0 0 5 5 0 6 5 6 2 3 0 0 7 0 0 0 6 0 3 0 0 7 6 3 0 0 3 10 1 5 2 0 0 1 1 1 0 0 0 -3.1884 24 14 7 3 0 0 1 5.5 1.5 1.5 0 14 614.69 0.999 0.333 0.666 0.999 -6 30 981 0 5 0 2 0 0 0 0 0 0 0 3 2 1 0 0 5 0 0 6 0 0 9 10 5 0 9 5 8 2 0 0 22 0 0 0 2 0 0 0 0 22 2 0 0 0 5 7 1 3 3 0 0 8 0 0 0 0 0 -4.9152 27 13 6 8 0 0 0 4 2 8 0 17 626.499 0.999 0 0.999 0.999 -9 32 1490 1 8 0 4 0 0 2 0 0 0 0 3 0 4 0 0 2 0 2 1 0 0 6 17 4 0 6 4 11 6 0 0 19 0 0 0 3 0 5 0 0 19 3 5 0 0 # 5.672 5.657 28.183 # VAL 25