# EXCLUDED_RESIDUES HETATM # PDBID_LIST 2e1w # POINT_FILE ../DUDE/pocket_res_ptf_dude_crys/2e1w_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_2e1w_0 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 2 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 2 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 3 0 1 0 0 0 1 1 0 0 0 0 -1.7253 6 3 1 2 0 0 0 1 0 1.5 0 3 140.298 0.333 0.333 0 0.333 -1 6 4 0 2 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 3 3 0 0 3 2 1 0 0 0 0 0 6 0 0 0 0 0 0 6 0 0 0 5 6 1 2 0 0 1 4 0 0 0 0 0 -0.4558 19 12 3 4 0 0 0 2 0 4 0 13 477.576 0.333 0.333 0 0.333 -4.5 7 65 1 4 0 2 2 0 0 0 0 1 3 0 0 0 0 1 0 0 3 0 0 2 5 6 6 2 5 6 4 2 2 0 0 0 0 18 0 0 1 0 0 0 18 1 0 0 4 10 3 6 1 0 2 2 1 1 1 0 0 -3.9944 31 17 9 4 1 0 1 6.5 1.5 2.5 2 17 770.67 0.666 0.333 0.333 1.166 -7.5 30 127 2 3 0 5 4 0 0 0 2 4 4 0 1 0 0 3 0 0 1 0 0 2 11 8 10 2 11 8 5 5 2 0 0 0 0 28 0 0 3 0 0 0 28 3 0 0 4 12 6 4 2 0 0 8 1 0 0 0 0 -6.7377 37 22 6 9 0 0 0 5 1 8.5 5 19 901.886 0.999 0.333 0.666 0.999 -5 45 185 3 2 0 1 1 0 0 0 2 6 5 0 2 0 2 2 2 0 3 3 0 3 21 3 10 3 21 8 4 1 3 2 0 0 0 31 0 2 2 0 0 2 33 2 0 0 # 58.022 57.603 20.473 # CYS 153 Env_2e1w_1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 21 132 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 1 0 0 0 -0.5921 2 1 0 1 0 0 1 0 0 0 0 0 50.667 0 0 0 0 0 7 22 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 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 1 2 2 1 0 0 0 2 0 0 0 0 0 -1.7014 8 5 1 2 0 0 0 1 0 2 3 4 177.766 0 0 0 0 0 16 214 0 0 0 0 0 0 0 0 0 1 1 0 0 4 0 0 0 0 2 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 6 9 9 3 0 0 0 3 3 0 0 0 0 -4.0091 33 24 3 6 0 0 0 3 0 4.5 9 14 841.77 1.332 1.332 0 1.332 6 60 1085 0 0 0 7 0 0 0 1 0 2 5 5 1 7 0 0 0 3 2 0 0 0 15 12 5 1 18 3 5 7 0 10 22 0 0 0 0 0 1 0 0 32 0 1 0 0 3 15 5 2 0 0 0 1 1 0 1 0 0 -1.7876 28 23 2 2 1 0 0 2 0 1.5 5 9 791.396 0.666 0.666 0 0.666 12 45 658 4 0 0 6 0 0 0 2 0 1 4 1 3 3 0 0 0 2 2 0 0 0 15 7 4 2 17 4 1 6 0 10 15 0 0 0 0 0 3 0 0 25 0 3 0 0 # 47.2925 55.4998 23.8678 # PHE 65 Env_2e1w_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 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 21 282 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 47 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 1 3 1 0 0 0 1 0 0 1 0 0 -1.0652 8 5 1 1 1 0 0 1 0 1 3 4 198.735 0 0 0 0 2 15 289 0 0 0 0 0 0 0 0 0 0 1 0 1 6 0 0 0 0 0 0 0 0 8 0 0 0 8 0 0 0 0 0 7 0 0 0 0 0 1 0 0 7 0 1 0 0 0 9 3 1 0 0 0 2 1 0 0 0 0 -3.615 16 12 1 3 0 0 0 1 0 2.5 3 4 426.473 0.333 0.333 0 0.333 7 33 459 0 0 0 1 0 0 0 0 0 3 3 1 2 4 0 0 2 0 0 0 0 0 12 2 2 0 12 2 1 1 0 0 12 0 0 0 0 0 4 0 0 12 0 4 0 0 5 18 4 5 0 0 0 3 1 0 0 0 0 -2.9496 36 27 5 4 0 0 0 5 0 3.5 4 15 983.187 0.666 0.666 0 0.666 9 45 1674 1 0 0 5 0 0 0 0 0 1 14 4 1 6 0 0 4 0 0 0 0 0 23 9 4 0 23 4 4 5 0 0 28 0 0 0 0 0 8 0 0 28 0 8 0 0 # 46.2017 50.7455 21.4053 # PHE 61 Env_2e1w_3 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 36 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 24 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 1 0 0 0 1 0 0 0 0 0 1 -0.3745 4 2 1 0 0 1 0 0 0 0 0 0 101.736 0 0 0 0 0.5 1 12 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 1 3 0 0 1 0 3 0 0 0 0 3 0 0 1 0 0 0 3 1 0 0 1 3 3 1 0 0 3 1 2 0 0 0 0 -3.113 14 7 4 3 0 0 0 1.5 0.5 2 2 4 317.408 0.999 0.999 0 1.499 -5 16 86 2 0 0 3 0 0 0 0 4 0 1 0 0 0 0 0 0 0 0 0 0 4 3 3 4 4 3 0 4 3 4 0 0 0 0 14 0 0 0 0 0 0 14 0 0 0 5 1 6 4 2 0 1 4 2 0 0 0 0 -3.1325 25 12 7 6 0 0 0 4.5 1.5 5 2 14 559.212 1.332 0.666 0.666 1.332 -11.5 28 235 3 3 0 1 0 0 1 6 4 0 1 0 0 0 0 0 0 0 0 2 0 4 6 5 4 10 6 6 7 2 4 0 0 0 0 21 0 4 0 0 0 0 25 0 0 0 6 17 0 3 1 0 1 3 4 1 0 1 0 -5.5 37 23 5 8 1 0 1.5 4 1 5 1 16 960.553 2.331 1.998 0.333 2.831 -5.5 48 224 2 3 0 5 2 0 6 2 4 0 4 0 0 0 0 0 4 0 0 3 0 2 9 14 10 4 9 8 7 11 2 0 0 0 0 29 1 7 0 0 0 0 37 0 0 0 # 56.466 51.566 18.1665 # HIS 214 Env_2e1w_4 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 99 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 0 0 3 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 33 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 0 0 1 0 0 0 0 1 0 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 -0.4441 3 2 1 0 0 0 0 0.5 0.5 0 2 0 80.61 0 0 0 0.5 0 8 33 0 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 0 0 0 2 1 0 0 0 0 0 2 0 1 0 0 0 0 3 0 0 0 1 2 2 0 0 0 1 0 0 1 0 0 0 -0.5366 7 5 1 1 0 0 1 0.5 0.5 0 3 2 178.924 0 0 0 0.5 -1 13 128 0 0 0 0 0 0 2 0 3 0 0 0 0 0 0 0 2 0 0 0 0 0 0 2 5 0 0 2 3 2 0 0 2 0 0 3 0 2 0 0 0 2 5 0 0 0 0 7 3 2 0 0 1 1 2 1 0 0 1 -4.3138 18 10 3 4 0 1 1 2.5 0.5 2 4 4 434.048 0.666 0.666 0 1.166 -1 30 520 1 0 0 1 0 0 3 0 3 0 0 0 0 0 0 2 1 0 2 4 0 1 5 4 8 1 5 5 3 4 1 2 3 0 0 3 1 8 1 0 0 5 12 1 0 0 9 9 6 4 0 0 2 7 2 2 0 1 0 -4.5562 42 24 6 11 1 0 2.5 4.5 0.5 8 7 21 979.449 1.332 1.332 0 1.832 -10.5 55 527 4 0 0 2 3 0 3 5 5 0 0 0 0 2 0 7 3 0 4 2 0 2 8 5 22 7 8 22 5 5 2 4 12 0 0 10 3 10 3 0 0 16 23 3 0 0 # 52.166 46.756 17.6293 # GLU 217 Env_2e1w_5 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 1 0 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 -0.2654 5 2 2 1 0 0 0 2 0 1 0 5 106.788 0 0 0 0 -3 0 16 1 0 0 1 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 3 1 3 0 1 0 4 0 0 0 0 0 1 0 0 0 4 1 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 -1.1498 2 0 0 2 0 0 0 0 0 2 0 2 22.988 0 0 0 0 -2 0 37 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 1 0 0 0 1 1 1 0 0 0 1 0 0 0 0 0 1 1 0 0 0 5 9 1 2 0 0 0 1 2 1 0 0 0 -1.2727 21 15 2 4 0 0 1 2 0 2 2 9 554.998 0.999 0.999 0 0.999 0.5 30 170 3 0 0 8 0 0 0 0 0 2 3 0 0 1 0 0 0 0 2 0 0 2 9 8 2 2 9 2 0 8 2 6 5 0 0 2 0 3 5 0 0 11 5 5 0 0 5 12 5 6 0 0 0 3 2 0 0 0 0 -3.5115 33 22 6 5 0 0 0 6 0 4 4 17 843.911 0.999 0.999 0 0.999 0.5 39 269 1 0 0 8 0 0 0 0 0 7 7 0 0 2 3 0 0 0 2 0 0 3 20 8 2 3 20 2 0 8 3 4 15 0 0 3 0 3 8 0 0 19 6 8 0 0 2 10 7 1 0 0 1 4 0 0 1 0 0 -3.9159 26 19 2 4 1 0 0 1 0 4 6 9 683.643 0 0 0 0 9.5 35 181 0 1 0 0 0 0 0 0 0 5 4 0 1 4 4 0 0 0 3 2 0 2 20 1 3 2 20 3 1 0 2 3 15 0 0 5 0 0 3 0 0 18 5 3 0 0 # 51.191 54.556 28.392 # GLY 20 Env_2e1w_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 -0.6869 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 4 8 0 3 0 0 0 2 2 1 0 0 0 -2.7065 20 12 3 5 0 0 1 3 0 3 0 11 500.019 0.999 0.999 0 0.999 -4 17 88 0 0 0 8 0 0 0 0 0 2 1 0 0 2 0 6 1 0 0 0 0 0 5 8 7 0 5 7 0 8 0 0 12 0 0 0 0 1 7 0 0 12 1 7 0 0 5 10 4 5 0 0 0 4 1 1 1 0 0 -3.3398 31 19 5 6 1 0 1 5 0 4.5 4 16 770.279 0.666 0.666 0 0.666 0 39 529 0 0 0 5 0 0 0 0 0 4 4 1 4 5 1 2 2 3 0 0 0 0 18 6 7 0 21 4 1 5 0 0 19 0 0 0 1 4 7 0 0 19 5 7 0 0 3 13 5 4 0 0 1 5 2 1 0 0 0 -5.7091 34 21 5 8 0 0 1 4 1 6 6 17 825.025 0.666 0.666 0 0.666 -5 41 709 0 0 0 3 2 0 1 0 0 2 5 0 3 2 4 2 4 6 0 0 0 0 16 4 14 0 22 8 0 4 0 0 23 0 0 0 0 4 7 0 0 23 4 7 0 0 # 49.4148 46.7062 25.4205 # PHE 300 Env_2e1w_7 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 23 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 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0.8985 3 3 0 0 0 0 0 0 0 0 0 2 100.53 0 0 0 0 1 2 69 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 3 0 0 0 0 0 0 0 0 0 3 0 0 0 0 1 2 0 2 0 0 0 2 0 0 0 0 0 -2.1938 7 3 2 2 0 0 0 2 0 2 0 5 151.792 0 0 0 0 -2 6 99 0 0 0 0 0 0 0 0 1 0 5 0 0 0 0 1 0 0 0 0 0 0 5 0 2 0 5 1 1 0 0 6 0 0 0 0 0 0 1 0 0 6 0 1 0 0 1 6 2 0 0 0 1 1 1 1 0 0 0 -2.2793 13 9 1 3 0 0 1 0 1 1.5 3 5 345.037 0.333 0.333 0 0.333 -1 26 138 0 0 0 1 0 0 0 0 2 0 2 0 1 0 0 4 0 3 0 0 0 0 3 1 9 0 6 4 2 1 0 9 0 0 0 0 0 0 4 0 0 9 0 4 0 0 3 8 5 4 0 0 0 1 0 0 0 0 0 -0.743 21 16 4 1 0 0 0 4 0 1 5 8 550.384 0.333 0.333 0 0.333 6 37 203 1 0 0 1 0 0 0 0 2 0 4 0 1 0 6 1 0 5 0 0 0 0 12 1 8 0 17 1 2 1 0 12 2 0 0 1 0 4 2 0 0 14 5 2 0 0 2 14 7 2 0 0 1 4 1 0 2 0 0 -5.0833 33 23 3 5 2 0 0 2.5 0.5 4.5 8 11 865.489 0.333 0.333 0 0.833 9 52 319 4 0 0 2 1 0 0 0 2 0 1 0 6 0 6 0 0 6 5 0 0 0 17 2 14 0 23 6 2 2 0 16 2 0 0 9 0 3 3 0 0 18 12 3 0 0 # 50.965 63.232 22.057 # LEU 106 Env_2e1w_8 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 0 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 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 -0.8386 4 3 1 0 0 0 0 1 0 0 0 2 114.667 0 0 0 0 1 4 0 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 4 0 0 0 0 0 0 0 0 4 0 0 0 0 2 1 0 1 0 0 0 1 0 0 0 0 0 0.145 5 3 1 1 0 0 0 1 0 1 0 4 126.161 0 0 0 0 -1 3 6 0 0 0 0 0 0 0 0 0 3 1 0 0 1 0 0 0 0 0 0 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 4 3 0 0 0 0 3 0 0 1 0 0 -1.9725 12 8 0 3 1 0 0 0 0 3 3 5 289.243 0.333 0.333 0 0.333 3 18 45 0 0 0 3 0 0 0 0 0 1 3 0 1 4 0 0 0 0 0 0 0 0 9 3 0 0 9 0 0 3 0 0 8 0 0 0 0 0 4 0 0 8 0 4 0 0 7 14 10 5 0 0 0 2 2 1 0 0 0 -2.9096 41 31 5 5 0 0 1 5 0 3 11 17 1095.09 0.666 0.666 0 0.666 10 74 485 0 0 0 4 0 0 0 6 0 3 4 3 4 11 3 0 0 0 3 0 0 0 25 7 3 6 25 9 3 4 0 3 26 0 0 0 1 0 11 0 0 29 1 11 0 0 3 10 8 5 0 0 0 7 0 0 0 0 0 -6.414 33 21 5 7 0 0 0 5 0 7 8 16 784.418 0 0 0 0 -1 51 786 1 0 0 2 0 3 0 2 0 2 0 7 3 9 2 0 0 0 2 0 0 0 17 9 5 2 17 7 7 2 0 2 23 0 0 0 2 1 5 0 0 25 3 5 0 0 # 46.903 50.531 27.587 # ILE 299 Env_2e1w_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 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 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 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 0 0 0 2 0 0 0 0 0 0 2 0 0 0 0 2 0 0 0 0 0 1 0 0 0 0 0 -0.5574 3 2 0 1 0 0 0 0 0 1 0 2 78.514 0 0 0 0 0 1 53 1 0 0 0 0 0 0 0 0 0 0 0 2 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 3 5 0 3 0 0 0 2 0 1 0 0 0 -1.5522 14 8 3 3 0 0 1 3 0 2 0 10 350.636 0 0 0 0 -4 7 189 3 1 0 0 3 0 0 2 0 0 1 0 2 0 0 2 0 0 0 0 0 0 6 1 5 2 6 7 1 0 0 1 0 0 0 8 1 2 2 0 0 1 11 2 0 0 2 7 3 3 0 0 2 1 0 0 0 1 0 -2.4554 19 12 5 1 1 0 0.5 4 1 1 5 10 496.295 0 0 0 1 -3 28 462 1 1 0 0 6 0 0 1 3 0 2 0 1 0 0 2 0 2 0 0 0 0 4 1 13 1 6 9 4 0 0 2 2 0 0 8 4 1 2 0 0 4 13 2 0 0 4 8 5 5 0 0 1 5 0 0 0 0 0 -3.425 28 17 6 5 0 0 0 5 0 5 4 16 672.122 0 0 0 0 -3.5 23 707 0 3 0 2 2 2 0 1 4 0 6 0 0 0 0 2 0 2 2 0 0 2 6 5 14 3 8 9 7 2 2 2 2 0 0 11 7 1 5 0 0 4 19 5 0 0 # 52.892 59.321 17.345 # MET 155 Env_2e1w_10 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 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 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 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 0 3 0 0 0 0 0 0 3 0 0 0 0 0 0 3 0 0 0 0 4 1 0 0 0 1 1 0 0 0 0 0 -0.9351 7 5 1 1 0 0 0 0 0 1 0 2 193.181 0 0 0 0 0.5 8 0 0 2 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 3 2 2 0 3 2 0 2 0 3 0 0 0 0 7 0 0 0 0 0 0 7 0 0 0 4 6 2 2 0 0 1 0 2 0 0 0 0 -0.4136 17 12 3 2 0 0 0 2 0 1 0 4 446.943 1.332 1.332 0 1.332 1.5 20 0 0 1 0 2 0 0 2 0 0 3 1 0 0 0 0 0 1 0 0 1 0 6 5 5 1 6 5 1 1 4 6 0 0 0 0 17 0 0 0 0 0 0 17 0 0 0 3 8 4 1 0 0 2 3 2 1 0 1 1 -3.6259 26 15 3 6 1 1 1.5 1.5 0.5 4 3 10 664.538 0.666 0.666 0 1.166 -5 28 110 0 2 0 2 1 0 5 0 3 0 2 0 0 0 0 0 2 0 0 4 0 5 6 9 6 5 6 3 5 7 5 0 0 0 0 25 0 0 1 0 0 0 25 1 0 0 6 11 4 10 1 0 2 5 2 0 0 0 0 -6.7975 41 21 13 7 0 0 0 11 1 6 4 27 943.687 1.332 0.999 0.333 1.832 -13.5 34 159 0 3 0 3 0 0 5 2 3 6 1 0 0 2 0 0 4 0 1 7 0 4 16 11 8 6 16 7 6 8 4 0 0 0 0 38 0 3 0 0 0 0 41 0 0 0 # 61.169 52.573 21.665 # ARG 101 Env_2e1w_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 82 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 2 246 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 3 0 1 0 0 0 1 0 0 0 0 0 -0.433 7 5 1 1 0 0 0 1 0 1 0 4 193.181 0 0 0 0 0 7 591 0 0 0 0 0 0 0 0 0 0 4 0 0 0 2 0 1 0 0 0 0 0 6 0 1 0 6 1 0 0 0 0 6 0 0 0 0 0 1 0 0 6 0 1 0 0 0 3 0 0 0 0 0 1 0 1 0 0 0 -1.2905 5 3 0 2 0 0 1 0 0 1 0 3 129.181 0 0 0 0 -1 4 405 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 3 0 0 0 0 0 2 0 3 0 2 3 0 0 0 0 2 0 0 0 0 0 3 0 0 2 0 3 0 0 2 6 1 4 0 0 0 1 1 0 0 0 0 -1.714 15 9 4 2 0 0 0 4 0 1.5 1 6 363.849 0.666 0.666 0 0.666 0 17 1037 0 0 0 3 0 0 0 0 0 0 5 0 0 3 2 0 2 0 0 0 0 0 10 3 2 0 10 2 0 3 0 0 10 0 0 0 0 0 5 0 0 10 0 5 0 0 3 7 3 0 0 0 0 1 1 0 0 0 0 -0.2116 15 13 0 2 0 0 0 0 0 1.5 3 8 434.352 0.333 0.333 0 0.333 4 16 956 0 0 0 6 0 0 0 0 0 0 2 0 0 5 1 0 1 0 0 0 0 0 8 6 1 0 8 1 0 6 0 0 10 0 0 0 0 0 5 0 0 10 0 5 0 0 # 42.936 51.101 14.954 # LEU 58 Env_2e1w_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 42 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 0 0 0 0 0 1 0 0 0 0 1 0 0 0 2 0 0 2 0 0 0 1 0 0 0 0 0 -0.3054 5 2 2 1 0 0 0 2 0 1 0 5 106.788 0 0 0 0 -3 0 189 1 0 0 1 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 3 1 3 0 1 0 0 0 0 0 1 0 3 1 0 0 0 4 1 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 7 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 7 0 2 0 0 0 0 0 0 1 0 0 -0.6567 11 8 2 0 1 0 0 2 0 0 0 5 322.875 0 0 0 0 4 12 238 3 3 0 3 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 5 6 0 0 5 0 3 3 0 0 0 0 0 5 3 0 3 0 0 0 8 3 0 0 3 5 1 2 1 0 1 3 0 0 0 0 0 -1.7682 16 9 4 3 0 0 0 2.5 1.5 3 2 9 379.142 0.333 0.333 0 0.833 -5 19 524 0 3 0 2 1 0 1 0 3 0 2 0 4 0 0 0 0 0 0 0 0 0 6 6 4 0 6 1 6 3 0 0 0 0 0 7 7 0 2 0 0 0 14 2 0 0 2 11 6 1 0 0 3 2 2 0 0 0 0 -2.8492 27 19 4 4 0 0 0 2.5 1.5 3 7 8 704.613 0.999 0.666 0.333 2.499 0.5 49 899 0 3 0 2 1 0 2 0 10 1 5 0 2 0 0 0 0 0 0 0 0 1 8 7 11 1 8 1 13 4 1 0 2 0 0 13 9 1 2 0 0 2 23 2 0 0 # 51.426 55.401 15.509 # GLY 184 Env_2e1w_13 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 21 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 0 0 3 0 0 0 0 3 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 7 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 0 0 1 0 0 0 0 1 0 0 1 1 0 1 0 0 0 1 0 0 0 0 0 -0.5236 4 2 1 1 0 0 0 1 0 1 0 4 92.651 0 0 0 0 -2 0 30 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 4 0 0 0 0 0 0 0 2 2 0 0 0 2 2 0 0 2 5 6 0 0 0 0 2 2 0 0 0 0 -1.9536 17 13 0 4 0 0 0 0 0 3 4 5 446.005 0.999 0.999 0 0.999 3.5 29 148 0 0 0 7 0 0 0 2 0 1 0 0 0 4 0 0 0 0 0 0 0 3 5 7 0 5 5 2 0 7 3 2 5 0 0 3 0 5 2 0 0 7 8 2 0 0 2 6 9 6 0 0 2 2 0 1 0 0 1 -5.1046 29 17 8 3 0 1 1 6 0 2 8 12 681.636 0 0 0 0 0.5 38 381 0 0 0 1 0 0 0 2 0 5 0 0 0 9 2 1 1 0 0 0 0 8 16 1 2 10 16 4 0 1 8 2 17 0 0 7 0 1 2 0 0 19 8 2 0 0 6 10 5 3 0 0 1 2 1 1 0 0 0 -1.8315 29 21 4 4 0 0 1 3 0 2.5 4 15 786.584 0.333 0.333 0 0.333 1.5 30 234 1 0 0 3 0 0 0 0 0 1 5 0 0 6 3 1 2 0 1 3 0 3 19 3 4 3 19 4 0 3 3 4 16 0 0 6 0 1 2 0 0 20 7 2 0 0 # 51.458 51.035 25.107 # ASP 296 Env_2e1w_14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 27 198 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 6 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 2 2 0 0 0 1 0 0 0 0 0 0 -0.6111 5 4 1 0 0 0 0 0 1 0 3 0 134.699 0 0 0 0 2 12 99 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 3 0 0 0 0 2 0 3 0 5 0 0 0 0 5 0 0 0 0 0 0 0 0 0 5 0 0 0 0 1 6 0 2 0 0 0 1 1 0 0 0 0 -1.7883 11 7 2 2 0 0 0 2 0 1.5 0 7 288.475 0.333 0.333 0 0.333 -1 9 427 0 0 0 3 0 0 0 0 0 0 0 0 1 4 0 0 0 3 0 0 0 0 5 3 3 0 8 0 0 3 0 4 7 0 0 0 0 0 0 0 0 11 0 0 0 0 5 10 2 3 0 0 0 3 0 0 1 0 0 -1.1325 24 17 3 3 1 0 0 3 0 3 2 12 640.233 0.333 0.333 0 0.333 4 25 778 0 0 0 4 0 0 0 0 0 0 7 0 4 3 5 0 0 1 0 0 0 0 19 4 1 0 20 0 0 4 0 15 9 0 0 0 0 0 0 0 0 24 0 0 0 0 5 7 4 5 0 0 0 6 2 1 0 0 0 -6.5963 30 16 5 9 0 0 1 5 0 7 5 16 690.645 0.666 0.666 0 0.666 -5 45 797 2 0 1 2 0 1 0 0 0 0 4 2 1 2 6 0 0 1 8 0 0 0 15 4 11 0 16 10 2 2 0 13 15 0 0 0 0 1 1 0 0 28 1 1 0 0 # 45.438 61.7172 23.1383 # TRP 117 Env_2e1w_15 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 11 303 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 0 3 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 5 202 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 0 2 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 1 101 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 0 1 0 0 0 0 0 1 0 0 0 1 4 0 3 0 0 0 1 0 0 0 0 0 -1.8234 9 5 3 1 0 0 0 3 0 1 0 5 231.747 0 0 0 0 -1 10 561 0 0 0 0 0 3 0 0 4 0 0 0 2 0 0 0 0 0 0 0 0 0 2 0 7 0 2 3 4 0 0 0 0 0 0 2 4 0 3 0 0 0 6 3 0 0 3 5 2 1 0 0 0 2 0 0 1 0 0 -0.4161 14 10 1 2 1 0 0 1 0 2 2 8 371.837 0 0 0 0 2 21 250 0 4 0 0 0 3 0 0 0 0 0 0 5 0 0 0 0 2 0 0 0 0 5 4 5 0 7 3 4 0 0 0 2 0 0 5 4 0 3 0 0 2 9 3 0 0 3 8 4 3 0 0 0 3 0 0 0 0 0 -2.2892 21 15 3 3 0 0 0 3 0 3 4 9 539.703 0 0 0 0 4 35 593 2 1 0 2 0 3 0 2 0 2 3 0 1 0 1 0 0 4 0 0 0 0 9 3 7 2 13 5 1 2 0 3 4 0 0 3 2 4 5 0 0 7 9 5 0 0 # 48.5465 60.9755 14.0215 # HIS 157 Env_2e1w_16 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 6 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 12 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 1 0 0 0 2 0 0 0 0 0 -0.9525 5 2 1 2 0 0 0 1 0 2 0 4 104.145 0 0 0 0 -2 2 43 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 3 0 0 0 0 0 0 1 0 4 0 1 4 0 0 0 0 0 0 0 2 0 0 3 0 0 0 2 3 0 0 4 10 3 3 0 0 1 1 0 0 1 0 0 -1.0812 23 17 4 1 1 0 0 3.5 0.5 1 4 10 637.324 0 0 0 0.5 4 30 199 0 0 0 0 2 0 0 0 6 0 5 0 2 0 4 0 0 2 2 0 0 0 11 0 12 0 13 4 6 0 0 11 2 0 0 6 0 4 0 0 0 13 10 0 0 0 1 9 4 3 0 0 1 3 0 0 0 1 0 -3.393 22 14 4 3 1 0 0.5 3.5 0.5 3 5 12 559.235 0 0 0 0.5 -2 31 131 0 0 0 0 7 0 0 0 4 0 1 0 3 0 3 0 0 2 1 1 0 0 8 0 14 0 10 8 4 0 0 5 3 0 0 11 0 3 0 0 0 8 14 0 0 0 3 9 6 2 0 0 0 5 1 0 0 0 0 -4.2899 26 18 2 6 0 0 0 2 0 5.5 6 11 643.301 0.333 0.333 0 0.333 4 34 175 2 0 0 1 1 0 0 0 0 0 8 0 2 0 0 0 0 5 5 2 0 0 14 1 11 0 19 6 0 1 0 5 7 0 0 14 0 0 0 0 0 12 14 0 0 0 # 54.781 62.763 19.337 # SER 103 Env_2e1w_17 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 39 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 3 0 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 -0.0303 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 13 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 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 0 1 0 0 0 1 0 0 0 0 0 -0.5236 4 2 1 1 0 0 0 1 0 1 0 4 92.651 0 0 0 0 -2 0 52 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 4 0 4 0 0 0 0 0 0 0 0 0 4 0 0 0 0 1 2 2 1 0 0 0 0 0 0 1 0 0 -0.4565 7 5 1 0 1 0 0 1 0 0 2 2 194.23 0 0 0 0 4 15 44 0 0 0 0 0 0 0 1 0 0 1 0 2 2 0 0 0 0 1 0 0 0 5 0 1 1 5 2 0 0 0 4 2 0 0 1 0 0 0 0 0 6 1 0 0 0 3 11 5 2 0 0 1 4 0 1 0 0 0 -4.7224 27 19 3 5 0 0 1 2 0 4 5 12 695.405 0 0 0 0 3 40 279 0 1 0 0 0 0 0 1 0 0 8 0 1 2 0 2 0 1 5 0 0 6 11 1 8 7 12 8 1 0 6 11 5 0 0 9 0 0 2 0 0 16 9 2 0 0 4 13 10 4 0 0 1 2 1 0 0 0 0 -1.3832 35 27 5 3 0 0 0 4 1 2.5 9 12 951.226 0.333 0.333 0 0.333 10 58 369 1 1 0 1 0 0 0 1 0 4 8 0 1 3 0 3 0 3 6 0 0 3 17 2 12 4 20 10 1 1 3 13 6 0 0 9 0 1 6 0 0 19 10 6 0 0 # 51.9597 58.577 25.1847 # ASP 19 Env_2e1w_18 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 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 1 0 0 0 0 1 0 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 0 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 3 0 0 0 0 0 0 0 0 0 3 0 0 0 0 2 3 0 1 0 0 0 2 0 0 0 0 0 -1.6223 8 5 1 2 0 0 0 1 0 2 0 5 204.675 0 0 0 0 0 8 37 0 1 0 1 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 1 0 1 5 2 0 1 5 0 1 1 1 5 0 0 0 3 0 0 0 0 0 5 3 0 0 0 1 4 2 1 0 0 0 1 0 0 0 0 0 -0.4007 9 7 1 1 0 0 0 1 0 1 2 6 240.281 0 0 0 0 1 6 61 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 0 0 2 0 2 5 2 0 5 1 1 2 1 0 0 0 8 0 0 0 0 0 1 8 0 0 0 5 12 6 4 0 0 0 2 1 0 0 0 0 -2.9253 30 23 4 3 0 0 0 4 0 2.5 7 11 790.665 0.666 0.666 0 0.666 8.5 44 110 2 2 0 4 0 0 0 1 0 2 0 0 0 5 0 0 0 0 3 9 0 2 18 6 3 3 18 4 2 4 2 5 9 0 0 14 0 2 0 0 0 14 16 0 0 0 5 22 4 4 0 0 1 6 1 1 0 0 0 -5.5892 44 31 5 8 0 0 1 4 0 6.5 3 21 1188.79 0.333 0.333 0 0.333 6.5 54 112 8 2 0 2 0 0 0 2 0 8 6 0 0 3 0 1 0 0 4 6 0 2 31 4 5 4 31 7 2 2 2 7 16 0 0 14 0 3 4 0 0 23 17 4 0 0 # 56.655 58.366 28.582 # LEU 18 Env_2e1w_19 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 0 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 0 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 2 0 1 0 0 0 1 0 1 0 0 0 -1.6968 5 2 1 2 0 0 1 1 0 1 0 3 109.808 0 0 0 0 -2 5 0 0 0 0 1 2 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 1 1 3 0 1 3 0 1 0 0 1 0 0 4 0 0 0 0 0 1 4 0 0 0 4 8 2 1 0 0 0 2 0 0 0 0 0 -0.4685 17 14 1 2 0 0 0 1 0 2 2 8 492.287 0 0 0 0 4 19 41 1 0 0 1 3 0 0 0 1 1 1 0 1 0 0 4 0 0 1 3 0 0 7 1 9 0 7 8 1 1 0 0 10 0 0 7 0 0 0 0 0 10 7 0 0 0 5 13 2 7 0 0 1 4 0 1 0 0 0 -3.8129 33 20 8 5 0 0 1 7.5 0.5 4 4 22 820.02 0 0 0 0.5 -6 29 163 1 0 0 2 3 0 0 0 5 3 6 0 1 0 0 2 0 2 3 5 0 0 16 2 15 0 18 8 5 2 0 0 18 0 0 15 0 0 0 0 0 18 15 0 0 0 8 15 5 5 0 0 1 7 0 0 0 1 0 -2.8619 42 28 6 7 1 0 0.5 5.5 0.5 7 6 27 1089.19 0 0 0 0.5 -4 33 600 4 1 0 1 2 1 1 2 5 2 4 0 4 0 3 2 0 2 5 3 0 0 20 3 17 2 22 12 6 2 0 1 23 0 0 13 4 0 1 0 0 24 17 1 0 0 # 59.854 61.451 13.745 # CYS 154 Env_2e1w_20 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 0 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 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 0.1868 2 2 0 0 0 0 0 0 0 0 0 1 67.02 0 0 0 0 0 1 0 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 2 0 0 0 0 0 0 0 0 2 0 0 0 0 1 0 2 1 0 0 0 1 1 0 0 0 0 -1.4651 6 3 1 2 0 0 0 1 0 1.5 2 3 126.32 0.333 0.333 0 0.333 -1 12 9 0 0 0 1 0 0 0 0 0 0 0 0 0 2 0 3 0 0 0 0 0 0 2 1 3 0 2 3 0 1 0 0 5 0 0 0 0 1 0 0 0 5 1 0 0 0 2 5 5 1 0 0 0 1 2 1 0 0 0 -2.3395 17 12 1 4 0 0 1 1 0 2 5 4 419.364 0.999 0.999 0 0.999 1 32 184 0 0 0 3 2 0 1 0 1 0 0 0 0 4 0 3 2 1 0 0 0 0 4 4 9 0 5 7 1 4 0 0 10 0 0 1 0 3 3 0 0 10 4 3 0 0 7 6 0 5 0 0 2 3 1 1 0 1 0 -1.4763 26 13 7 5 1 0 1.5 6 1 3.5 2 17 607.466 0.999 0.999 0 1.999 -12 25 385 0 0 0 6 3 0 1 0 2 0 0 0 0 1 3 1 5 2 2 0 0 0 4 7 15 0 6 11 2 7 0 1 11 0 0 2 0 5 7 0 0 12 7 7 0 0 7 13 7 3 0 0 1 5 3 1 0 0 1 -5.5582 41 27 4 9 0 1 1 3 0 6.5 8 20 1025.2 0.999 0.999 0 0.999 -3 50 682 1 0 2 7 1 0 2 0 2 1 6 0 0 3 2 2 2 4 4 0 0 2 13 9 17 2 17 11 2 9 2 2 21 0 0 4 0 4 10 0 0 23 8 10 0 0 # 51.918 45.394 22.895 # SER 265 Env_2e1w_21 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 2 0 3 0 0 0 2 0 0 0 0 0 -1.9928 8 3 3 2 0 0 0 3 0 2 0 7 165.929 0 0 0 0 -4 1 139 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 3 2 0 0 0 0 0 2 0 5 1 2 6 0 0 0 0 5 0 0 0 0 3 0 0 0 5 3 0 0 0 6 3 0 2 0 0 0 3 1 1 0 0 0 0.0034 16 9 2 5 0 0 1 2 0 3.5 0 12 382.709 0.666 0.666 0 0.666 -7 10 363 1 0 0 0 0 0 2 2 0 0 2 0 0 0 0 5 1 1 2 0 0 0 3 2 9 2 4 10 0 2 0 0 10 0 0 0 0 6 0 0 0 10 6 0 0 0 1 8 2 2 0 0 0 1 1 1 0 0 0 -2.8621 16 11 2 3 0 0 1 2 0 1.5 2 8 425.694 0.333 0.333 0 0.333 0 21 379 1 0 0 0 0 0 2 1 0 0 3 0 0 2 0 3 0 1 2 1 0 0 7 2 6 1 8 6 0 2 0 0 10 0 0 0 0 6 0 0 0 10 6 0 0 0 4 10 8 3 0 0 2 6 1 1 0 0 0 -5.1878 35 22 5 8 0 0 1 4 1 6.5 11 14 845.762 0.333 0.333 0 1.333 2 62 1113 1 0 0 1 1 0 4 0 3 0 2 0 1 4 4 1 0 5 6 2 0 0 14 5 16 0 19 8 3 5 0 4 11 0 0 3 0 11 6 0 0 15 14 6 0 0 # 48.846 43.746 19.418 # THR 269 Env_2e1w_22 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 24 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 0 3 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 8 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 0 1 0 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 -0.2268 4 2 0 1 0 1 0 0 0 0.5 0 2 101.736 0.333 0.333 0 0.333 -1 3 23 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 0 0 0 3 1 0 0 0 0 0 0 2 2 0 0 0 2 2 0 0 2 2 5 2 0 0 3 3 1 1 0 1 0 -4.3136 20 9 5 5 1 0 1.5 2.5 0.5 3.5 4 6 437.116 0.666 0.666 0 1.166 -8 28 85 0 0 0 5 2 0 0 0 2 0 0 0 0 2 0 2 2 0 0 0 0 5 2 5 8 5 2 6 2 5 5 0 4 0 0 7 0 2 7 0 0 4 9 7 0 0 1 5 7 1 0 0 4 0 1 0 0 0 0 -2.4606 19 13 5 1 0 0 0 2 1 0.5 5 5 499.485 0.333 0.333 0 1.333 -1.5 21 191 0 0 0 2 0 0 1 0 4 0 0 0 0 1 0 1 0 0 0 1 0 9 2 3 5 9 2 1 4 3 9 0 2 0 0 14 0 1 2 0 0 2 15 2 0 0 6 11 7 6 0 0 1 6 1 0 0 0 0 -3.4084 38 24 7 7 0 0 0 6.5 0.5 6.5 8 21 913.062 0.666 0.666 0 1.166 -5.5 40 239 0 0 3 2 4 0 3 0 4 0 0 0 0 4 2 4 5 0 0 4 0 3 10 5 20 3 10 16 4 5 3 0 11 0 0 12 0 2 13 0 0 11 14 13 0 0 # 54.1787 48.6817 23.0757 # ASP 295 Env_2e1w_23 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 8 168 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 0 0 3 0 0 0 0 3 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 56 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 0 0 1 0 0 0 0 1 0 0 1 2 0 0 0 0 0 1 0 0 0 0 0 -0.4193 4 3 0 1 0 0 0 0 0 1 0 3 112.024 0 0 0 0 0 3 250 0 0 0 3 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 3 0 0 1 0 0 3 0 0 1 0 0 0 0 0 3 0 0 1 0 3 0 0 1 6 0 4 0 0 0 0 0 0 0 0 0 -1.4335 11 7 4 0 0 0 0 4 0 0 0 7 291.118 0 0 0 0 -1 6 703 0 0 0 1 0 0 1 0 0 4 0 0 0 0 0 0 5 0 0 0 0 0 4 2 5 0 4 5 0 2 0 0 0 0 0 0 6 4 1 0 0 0 10 1 0 0 2 5 0 0 0 0 0 3 0 1 0 0 0 -1.4325 11 7 0 4 0 0 1 0 0 3 0 6 286.209 0 0 0 0 0 10 594 0 0 0 0 0 0 3 2 0 1 3 0 0 0 0 0 2 0 0 0 0 0 4 3 2 2 4 4 0 3 0 0 3 0 0 0 5 3 0 0 0 3 8 0 0 0 1 10 0 2 0 0 0 1 0 1 0 0 0 -1.8702 15 11 2 2 0 0 1 2 0 1 0 6 425.535 0 0 0 0 3 17 723 0 3 0 0 0 0 3 2 1 3 1 0 0 0 0 1 0 0 0 1 0 0 5 6 2 2 5 3 4 3 0 1 1 0 0 0 7 6 0 0 0 2 13 0 0 0 # 47.3707 52.9517 11.3333 # ASP 185 Env_2e1w_24 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 7 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 21 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 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 49 1 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 2 0 0 1 2 1 0 0 0 0 0 0 0 2 0 1 0 0 0 0 3 0 0 0 2 3 4 0 0 0 1 3 1 0 1 1 0 -1.8383 16 9 1 4 2 0 0.5 0.5 0.5 3.5 4 6 383.99 0.666 0.666 0 1.166 -4.5 24 183 0 0 0 2 4 0 0 2 4 0 2 0 1 0 0 0 0 0 0 0 0 1 3 2 8 3 3 6 4 2 1 0 0 0 0 14 0 2 0 0 0 0 16 0 0 0 4 10 0 4 0 0 3 2 1 0 0 0 0 -2.8225 24 14 7 3 0 0 0 4.5 0.5 2.5 1 13 605.224 0.333 0.333 0 0.833 -3 18 260 0 2 0 4 5 0 0 1 2 0 2 0 6 0 0 0 0 0 0 0 0 2 8 6 7 3 8 6 4 4 2 0 0 0 0 21 2 1 0 0 0 0 24 0 0 0 2 12 3 5 2 0 1 4 0 1 0 0 1 -5.5272 31 17 8 5 0 1 1 5 2 4 0 15 779.362 0 0 0 0 -6.5 24 193 0 7 0 3 2 0 0 0 3 0 4 0 1 0 0 4 0 0 2 0 0 5 5 10 11 5 5 8 10 3 5 0 0 0 0 21 4 0 6 0 0 0 25 6 0 0 # 55.135 55.857 17.49 # ALA 183 Env_2e1w_25 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 76 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 2 228 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 -1.7558 8 4 1 3 0 0 0 1 0 3 0 6 182.659 0 0 0 0 -2 6 556 1 0 0 0 0 0 0 0 0 0 5 0 0 1 1 0 0 0 0 0 0 0 8 0 0 0 8 0 0 0 0 0 8 0 0 0 0 0 0 0 0 8 0 0 0 0 2 4 0 1 0 0 0 1 0 0 0 0 0 -0.043 8 6 1 1 0 0 0 1 0 1 0 7 226.691 0 0 0 0 -1 3 573 1 0 0 0 0 0 0 0 0 0 2 0 0 2 3 0 0 0 0 0 0 0 8 0 0 0 8 0 0 0 0 0 8 0 0 0 0 0 0 0 0 8 0 0 0 0 2 9 6 3 0 0 0 2 1 0 0 0 0 -2.6748 23 17 3 3 0 0 0 3 0 2.5 6 9 595.388 0.333 0.333 0 0.333 6 29 1329 2 0 0 5 0 0 0 0 0 0 3 1 0 9 2 0 1 0 0 0 0 0 16 6 1 0 16 1 1 5 0 0 22 0 0 0 0 0 1 0 0 22 0 1 0 0 4 9 4 3 0 0 0 1 1 0 0 0 0 -1.1809 22 17 3 2 0 0 0 3 0 1.5 4 10 596.825 0.666 0.666 0 0.666 5 34 1206 1 0 0 6 0 0 0 0 0 0 2 4 0 5 1 0 1 2 0 0 0 0 9 10 3 0 11 1 4 6 0 2 19 0 0 0 0 0 1 0 0 21 0 1 0 0 # 42.702 55.382 18.934 # LEU 62 Env_2e1w_26 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 0 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 0 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 1 1 0 0 0 0 0 0 1 0 0 0 0 -0.0207 3 2 0 1 0 0 0 0 0 0.5 0 0 68.226 0.666 0.666 0 0.666 0 8 66 0 0 0 0 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 1 0 0 0 1 2 0 0 0 0 0 1 0 2 0 0 0 0 3 0 0 0 2 4 2 1 0 0 1 2 1 1 0 1 1 -3.0171 16 8 2 4 1 1 1.5 1.5 0.5 2.5 3 5 377.816 0.333 0.333 0 0.833 -3.5 28 162 0 0 0 0 2 0 4 2 3 0 0 0 0 0 0 0 0 0 3 0 0 2 0 4 8 4 0 7 3 4 2 3 0 0 0 7 0 3 3 0 0 3 10 3 0 0 5 7 7 3 0 0 2 2 2 1 0 0 0 -2.3601 29 19 5 5 0 0 1 3 0 3 5 13 721.976 0.999 0.999 0 0.999 -5 29 174 0 0 0 4 4 0 3 2 4 2 0 0 0 0 0 3 0 0 3 0 0 4 2 7 14 6 2 12 4 7 4 3 3 0 0 12 0 6 5 0 0 6 18 5 0 0 6 15 2 8 0 0 2 7 1 2 0 0 0 -7.7047 43 23 10 10 0 0 2 8.5 0.5 7.5 3 27 1027.53 0.333 0.333 0 0.833 -10.5 29 390 4 0 0 1 0 0 6 4 5 5 2 0 0 0 1 6 2 0 3 1 0 3 13 7 16 7 13 15 5 7 3 3 9 0 0 22 1 7 1 0 0 12 30 1 0 0 # 55.489 46.102 19.023 # HIS 238