# EXCLUDED_RESIDUES HETATM # PDBID_LIST 1sqt # POINT_FILE ../DUDE/pocket_res_ptf_dude_crys/1sqt_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_1sqt_0 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 0 0 0 1 0 0 0 0 0 0 1 0 0 0 2 0 0 2 0 0 0 1 0 0 0 0 0 -0.0679 5 2 2 1 0 0 0 2 0 1 0 5 106.788 0 0 0 0 -3 0 191 0 1 0 0 1 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 0 4 1 0 0 0 0 0 0 5 0 0 0 0 0 0 5 0 0 0 0 1 1 0 2 0 0 1 0 0 0 0 0 -1.9189 5 2 2 1 0 0 0 1 1 1 0 1 114.441 0.999 0 0.999 0.999 -2 20 554 0 4 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 4 0 0 1 0 4 0 0 0 0 0 0 5 0 0 0 0 0 0 5 0 0 0 2 7 0 1 1 0 0 1 0 0 1 0 0 -0.6793 13 9 2 1 1 0 0.5 1 1 1 0 6 374.321 0 0 0 0 0 15 883 0 5 0 0 4 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 2 5 4 2 2 6 5 0 0 0 0 0 0 13 0 0 0 0 0 0 13 0 0 0 0 5 0 2 0 0 0 1 0 1 0 0 0 -2.2017 9 5 2 2 0 0 1 2 0 1 0 5 224.475 0 0 0 0 -2 7 514 1 1 0 0 1 0 0 1 0 0 3 1 0 0 0 1 0 0 0 0 0 0 4 2 2 1 4 3 2 0 0 0 0 0 0 8 1 0 0 0 0 0 9 0 0 0 3 5 0 1 0 0 0 4 1 1 1 0 0 -2.2483 16 8 1 6 1 0 1.5 1 0 4.5 0 11 386.008 0.333 0.333 0 0.333 -7 14 593 3 0 0 1 1 0 0 1 0 0 2 4 0 0 0 3 0 0 1 0 0 0 5 5 5 1 5 6 4 1 0 0 0 0 1 10 3 0 2 0 0 0 14 2 0 0 # 22.951 23.086 36.506 # GLY 220 Env_1sqt_1 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 5 121 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 16 363 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 1 4 0 1 0 0 0 0 0 0 0 0 0 0.117 6 5 1 0 0 0 0 1 0 0 0 4 181.687 0 0 0 0 0 5 518 0 4 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 2 0 2 4 0 0 0 0 0 0 6 0 0 0 0 0 0 6 0 0 0 1 1 0 1 0 0 0 2 0 0 0 0 0 -0.9085 5 2 1 2 0 0 0 1 0 2 0 4 104.145 0 0 0 0 -2 1 411 0 3 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 2 0 2 3 0 0 0 0 0 0 5 0 0 0 0 0 0 5 0 0 0 1 3 0 1 0 0 0 1 0 0 0 0 0 -0.8572 6 4 1 1 0 0 0 1 0 1 0 3 159.671 0 0 0 0 1 8 248 0 0 0 0 1 0 0 2 0 0 3 0 0 0 0 0 0 0 0 0 0 0 3 0 1 2 3 3 0 0 0 0 0 0 0 5 0 1 0 0 0 0 6 0 0 0 0 8 0 1 0 0 0 0 0 0 0 0 0 -0.9698 9 8 1 0 0 0 0 1 0 0 0 3 282.217 0 0 0 0 5 12 407 0 0 0 0 1 0 0 2 0 0 4 2 0 0 0 0 0 0 0 0 0 0 4 2 1 2 4 3 2 0 0 0 0 0 0 7 0 2 0 0 0 0 9 0 0 0 # 25.918 23.719 34.736 # ARG 219 Env_1sqt_2 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 11 348 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 0 3 0 0 0 0 0 3 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0644 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 2 116 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 0 1 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 1 116 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 0 1 0 0 0 0 0 1 0 0 0 1 3 0 0 0 1 0 0 0 1 0 0 0 -0.4111 6 4 1 1 0 0 1 0 1 0 0 2 184.707 1 0 1 1 0 18 382 0 0 0 0 0 2 0 0 0 0 0 3 0 0 0 0 0 0 1 0 0 0 0 3 3 0 0 3 3 0 0 0 0 0 0 0 2 0 4 0 0 0 2 4 0 0 1 1 1 2 0 0 0 1 0 0 0 0 0 -1.2919 6 3 2 1 0 0 0 2 0 1 2 3 120.378 0 0 0 0 -1 11 387 0 0 0 0 0 2 0 1 0 0 0 1 0 0 0 0 0 0 2 0 0 0 0 1 4 1 0 5 1 0 0 0 0 0 0 0 3 0 3 0 0 0 3 3 0 0 1 2 2 0 0 0 0 4 0 0 1 0 0 -2.2554 10 5 0 4 1 0 0.5 0 0 4 2 6 226.069 0 0 0 0 -2 10 505 0 0 0 1 3 0 0 1 0 0 0 1 0 0 0 1 0 0 3 0 0 0 0 2 7 1 0 8 1 1 0 0 0 0 0 0 2 1 7 0 0 0 3 7 0 0 # 25.9187 13.526 37.454 # GLN 194 Env_1sqt_3 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 8 249 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 0 0 3 0 0 0 0 3 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.204 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 83 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 0 0 1 0 0 0 0 1 0 0 0 1 1 0 1 0 0 0 1 0 0 0 0 0 -0.4468 4 2 1 1 0 0 0 1 0 1 0 4 92.651 0 0 0 0 -2 0 282 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 2 0 0 2 0 2 0 0 0 0 0 0 0 4 0 0 0 0 4 0 0 0 2 2 0 1 0 0 0 1 2 0 0 0 0 -1.0941 8 4 1 3 0 0 0 1 0 2 0 4 175.014 0.999 0.999 0 0.999 -3 9 516 0 0 2 3 0 0 2 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 5 3 0 0 3 0 5 0 0 0 0 0 0 1 4 3 0 0 0 5 3 0 0 0 4 0 3 0 0 0 0 0 1 0 0 0 -2.5657 8 4 3 1 0 0 1 3 0 0 0 4 193.608 0 0 0 0 -1 8 541 0 0 0 2 0 0 1 0 0 2 0 0 0 0 0 1 2 0 0 0 0 0 2 3 3 0 2 3 0 3 0 0 0 0 2 0 3 1 2 0 0 0 6 2 0 0 5 10 0 1 0 0 0 3 2 1 0 0 0 -0.7372 22 15 1 6 0 0 1 1 0 4 0 11 583.769 0.999 0.999 0 0.999 -2 23 1278 0 0 0 1 0 0 4 1 0 5 0 3 0 0 0 4 4 0 0 0 0 0 5 8 8 1 5 9 3 5 0 0 0 0 4 0 8 5 5 0 0 0 17 5 0 0 # 19.3527 19.0257 47.79 # ASN 143 Env_1sqt_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 31 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 1 0 0 0 0 0 0 1 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 0 234 0 1 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 3 1 3 1 0 0 0 0 0 0 5 0 0 0 0 0 0 5 0 0 0 0 0 1 0 0 0 0 1 0 1 0 0 0 -1.3645 3 1 0 2 0 0 1 0 0 1 1 1 55.172 0 0 0 0 -1 10 45 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 1 0 0 0 0 0 3 0 2 1 0 0 0 0 0 0 0 2 1 0 0 0 0 0 3 0 0 0 2 5 3 2 0 0 0 3 0 0 0 0 0 -2.3367 15 10 2 3 0 0 0 2 0 3 4 8 352.074 0 0 0 0 1 19 628 0 4 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 6 1 2 0 0 3 4 7 1 9 2 4 0 0 0 0 0 0 14 1 0 0 0 0 0 15 0 0 0 5 6 6 2 1 0 0 2 0 0 0 0 0 -0.4823 22 17 3 2 0 0 0 2 1 2 6 12 593.635 0 0 0 0 2 36 546 0 2 0 0 0 0 0 6 0 0 1 2 0 0 1 1 0 4 2 3 0 0 5 4 7 6 9 9 4 0 0 0 0 0 0 19 2 1 0 0 0 0 22 0 0 0 3 11 4 2 1 0 1 4 2 1 1 0 0 -4.8418 30 18 4 7 1 0 1.5 2.5 1.5 5 4 13 741.619 1.665 0.999 0.666 1.665 -4 47 863 0 3 0 3 3 0 0 1 0 0 6 2 0 0 2 4 0 1 3 2 0 0 10 8 11 1 11 11 5 3 0 0 0 0 3 16 3 6 2 0 0 0 28 2 0 0 # 20.709 21.33 31.159 # GLY 218 Env_1sqt_5 0 0 0 0 0 0 0 0 0 0 1 0 0 -0.108 1 0 0 0 1 0 0.5 0 0 0 0 0 26.521 0 0 0 0 -1 2 19 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 1 0 0 -0.187 2 1 0 0 1 0 0.5 0 0 0 0 0 60.031 0 0 0 0 -1 3 31 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 1 0 0 1 0 0 0 1 1 0 0 1 3 0 1 0 0 0 1 0 0 0 0 0 -0.3797 6 4 1 1 0 0 0 1 0 1 0 5 159.671 0 0 0 0 -2 1 96 0 0 0 0 4 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 2 0 6 0 0 0 0 0 0 0 4 0 0 2 0 0 0 4 2 0 0 3 2 0 2 0 0 0 2 0 1 0 0 0 -0.9211 10 5 2 3 0 0 1 2 0 2 0 8 235.969 0 0 0 0 -4 5 297 0 0 0 0 4 1 0 1 0 1 0 0 0 0 0 3 0 0 0 0 0 0 1 0 8 1 1 9 0 0 0 0 0 0 1 3 2 0 4 0 0 0 6 4 0 0 2 7 0 3 0 0 0 1 1 0 0 0 0 -1.1166 14 9 3 2 0 0 0 3 0 1.5 0 8 356.701 0.666 0.666 0 0.666 -2 10 624 1 0 1 2 1 2 0 1 0 1 0 1 0 0 0 4 0 0 0 0 0 0 2 3 8 1 2 9 1 2 0 0 0 0 3 2 5 1 3 0 0 0 11 3 0 0 8 18 0 6 1 0 0 8 2 1 0 0 0 -5.8908 44 26 7 11 0 0 1 6.5 0.5 9 0 27 1104.96 0.999 0.666 0.333 0.999 -10 43 2270 3 5 3 6 0 5 0 3 0 4 3 7 0 0 0 5 0 0 0 0 0 0 10 18 13 3 10 16 12 6 0 0 0 0 9 14 7 3 11 0 0 0 33 11 0 0 # 20.86 19.211 38.159 # CYS 221 Env_1sqt_6 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 3 0 0 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 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 1 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 0 0 0 1 0 0 0 0 0 -0.4089 4 2 1 1 0 0 0 1 0 1 0 4 92.651 0 0 0 0 -2 0 34 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 2 2 0 0 2 0 2 0 0 0 0 2 0 0 0 2 0 0 0 2 2 0 0 4 5 0 3 0 0 0 2 0 1 0 0 0 -0.5326 15 9 3 3 0 0 1 3 0 2 0 13 384.146 0 0 0 0 -6 3 162 2 0 0 2 2 0 0 2 0 0 0 0 0 0 1 4 2 0 0 0 0 0 3 2 8 2 3 10 0 2 0 0 0 0 2 7 0 0 6 0 0 0 9 6 0 0 4 10 0 3 0 0 0 5 0 1 1 0 0 -3.1158 24 14 3 6 1 0 1.5 3 0 5 0 16 612.699 0 0 0 0 -5 18 393 5 0 0 0 6 0 0 3 0 2 1 2 0 0 2 0 1 0 1 1 0 0 11 2 8 3 11 11 2 0 0 0 0 0 1 20 0 0 3 0 0 0 21 3 0 0 5 12 3 6 0 0 0 6 0 2 1 0 0 -5.1526 35 20 6 8 1 0 2.5 6 0 6 4 19 850.923 0 0 0 0 -5 41 782 4 1 0 3 3 0 0 2 0 4 3 0 0 0 2 0 4 3 3 3 0 0 16 4 13 2 19 12 1 3 0 0 0 0 4 18 1 2 10 0 0 0 25 10 0 0 # 15.5563 21.4793 35.8523 # ASP 191 Env_1sqt_7 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 20 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 1 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 40 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 2 0 0 0 0 0 2 0 0 0 1 0 1 1 0 0 1 0 0 0 0 0 0 0.0655 4 2 2 0 0 0 0 1.5 0.5 0 2 2 94.747 0 0 0 0.5 -2 8 132 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 4 0 0 2 2 0 0 2 0 0 0 0 2 0 0 0 0 2 2 0 0 0 1 1 1 3 0 0 1 4 0 0 1 0 0 -4.2876 12 3 4 4 1 0 0.5 3.5 0.5 4 2 8 222.586 0 0 0 0.5 -8 10 153 0 0 0 3 1 0 0 2 2 0 0 0 0 0 0 2 0 0 0 2 0 0 2 3 5 2 2 5 2 3 0 2 0 0 0 4 3 0 3 0 0 2 7 3 0 0 5 9 1 3 0 0 0 2 0 0 1 0 0 0.7437 21 15 3 2 1 0 0.5 3 0 2 1 16 581.639 0 0 0 0 -4 7 523 0 0 0 2 4 3 0 4 1 0 0 0 0 0 0 3 0 1 0 3 0 0 3 2 12 4 4 14 1 2 0 2 0 0 0 8 7 0 4 0 0 2 15 4 0 0 6 13 0 5 0 0 0 2 2 2 0 0 0 -2.2824 30 19 5 6 0 0 2 5 0 3 0 15 767.089 0.999 0.999 0 0.999 -5 30 846 1 0 0 3 6 4 0 3 2 0 0 0 0 0 0 3 0 3 1 4 0 0 5 3 19 3 8 17 2 3 0 5 0 0 0 11 5 0 9 0 0 5 16 9 0 0 # 20.526 12.546 31.925 # SER 197 Env_1sqt_8 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 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 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 2 0 0 0 0 0 0 2 0 0 0 2 2 1 2 0 0 0 1 1 0 0 0 0 -1.0055 9 5 2 2 0 0 0 2 0 1.5 1 4 201.535 0.666 0.666 0 0.666 -2 10 102 0 0 0 3 0 0 0 0 1 0 0 0 0 0 0 3 0 2 0 0 0 0 0 3 6 0 2 3 1 3 0 0 0 0 0 6 0 0 3 0 0 0 6 3 0 0 2 3 2 2 0 0 2 3 1 1 0 0 0 -3.748 16 7 4 5 0 0 1 2.5 1.5 3.5 4 9 337.474 0.333 0.333 0 0.833 -7 17 363 0 0 0 1 0 0 0 0 6 0 0 0 0 0 0 0 2 4 0 3 0 0 3 1 12 0 7 2 6 1 0 1 0 0 0 14 0 0 1 0 0 1 14 1 0 0 5 9 6 3 0 0 2 4 0 0 0 0 0 -1.1463 29 20 5 4 0 0 0 4 1 4 8 16 733.543 0 0 0 1 -4 34 413 1 0 0 4 0 0 0 0 7 2 0 0 0 0 0 0 3 4 4 4 0 0 7 4 18 0 11 7 7 4 0 2 0 0 0 22 0 0 5 0 0 2 22 5 0 0 5 16 5 8 0 0 1 3 0 1 1 0 0 -4.8903 40 26 9 4 1 0 1 8.5 0.5 3 6 21 1048.15 0 0 0 0.5 2 46 710 5 0 2 0 0 0 0 2 7 4 1 0 4 0 0 2 2 2 3 6 0 0 20 0 18 2 22 11 7 0 0 5 0 0 0 21 3 3 8 0 0 5 27 8 0 0 # 19.416 15.72 25.398 # SER 216 Env_1sqt_9 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 70 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 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 2 210 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 0 0 0 3 0 0 0 0 0 0 3 0 0 0 1 2 0 2 0 0 0 1 0 0 0 0 0 -1.5582 6 3 2 1 0 0 0 2 0 1 0 4 140.298 0 0 0 0 -1 6 451 1 0 0 0 0 0 0 0 0 0 4 1 0 0 0 0 0 0 0 0 0 0 5 1 0 0 5 0 1 0 0 0 0 0 0 5 1 0 0 0 0 0 6 0 0 0 2 4 0 1 0 0 0 4 0 0 0 0 0 -1.5957 11 6 1 4 0 0 0 1 0 4 0 9 261.173 0 0 0 0 -3 3 776 3 1 0 0 2 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 3 6 2 0 3 2 6 0 0 0 0 0 0 8 3 0 0 0 0 0 11 0 0 0 3 7 1 4 0 0 0 2 0 0 0 0 0 -1.449 17 11 4 2 0 0 0 4 0 2 1 12 441.157 0 0 0 0 -1 11 857 1 2 0 1 2 0 0 4 0 0 0 6 0 0 0 0 0 1 0 0 0 0 1 9 3 4 2 6 8 1 0 0 0 0 0 14 2 1 0 0 0 0 17 0 0 0 1 10 6 2 2 0 0 2 1 2 0 0 0 -4.3189 26 17 4 5 0 0 2 2.5 1.5 2.5 5 8 648.689 0.999 0.333 0.666 0.999 -2 59 1630 0 7 0 5 1 0 0 0 0 0 0 2 0 0 1 1 0 8 1 0 0 0 1 14 11 0 9 3 9 5 0 0 0 0 1 10 7 8 0 0 0 0 26 0 0 0 # 20.407 27.276 37.611 # LEU 223 Env_1sqt_10 0 0 0 0 0 0 0 0 0 0 1 0 0 -0.108 1 0 0 0 1 0 0.5 0 0 0 0 0 26.521 0 0 0 0 -1 2 12 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 0 0 0 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 -0.187 2 1 0 0 1 0 0.5 0 0 0 0 0 60.031 0 0 0 0 -1 3 31 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 1 0 0 1 0 0 0 1 1 0 0 1 2 0 1 0 0 0 0 0 0 0 0 0 0.1454 4 3 1 0 0 0 0 1 0 0 0 3 114.667 0 0 0 0 -1 1 159 0 0 0 0 3 1 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 0 0 0 0 1 1 0 2 0 0 0 2 2 0 0 1 9 0 3 0 0 0 4 0 1 0 0 0 -3.7333 18 10 3 5 0 0 1 3 0 4 0 11 440.644 0 0 0 0 -2 14 777 0 0 0 0 4 3 0 0 0 2 0 4 0 0 0 5 0 0 0 0 0 0 2 4 12 0 2 12 4 0 0 0 0 0 2 2 6 0 8 0 0 0 10 8 0 0 6 7 0 3 0 0 0 5 1 0 0 0 0 -1.2286 22 13 3 6 0 0 0 3 0 5.5 0 16 549.648 0.333 0.333 0 0.333 -8 15 1150 0 0 4 1 2 3 1 2 0 1 0 4 0 0 0 4 0 0 0 0 0 0 1 6 13 2 1 15 4 2 0 0 0 0 1 4 6 5 6 0 0 0 16 6 0 0 7 11 0 8 0 1 0 5 1 0 0 0 0 -3.4611 33 18 9 6 0 0 0 8 1 5.5 0 23 782.6 1.999 0.999 1 1.999 -9 21 774 1 0 1 9 0 1 3 7 0 7 0 1 0 0 0 2 1 0 0 0 0 0 8 13 5 7 8 12 1 12 0 0 0 0 8 3 4 4 14 0 0 0 19 14 0 0 # 20.701 17.646 39.349 # CYS 193 Env_1sqt_11 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 5 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 1 0 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 0 133 0 0 0 1 0 1 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 0 4 0 1 0 0 0 0 0 0 4 0 1 0 0 0 4 1 0 0 1 0 1 0 0 0 0 1 0 1 0 0 0 -1.0372 4 2 0 2 0 0 1 0 0 1 2 1 75.751 0 0 0 0 -1 15 296 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 4 0 0 4 0 0 0 0 0 0 0 0 1 0 3 0 0 0 1 3 0 0 3 6 2 4 0 0 0 2 0 0 0 0 0 -1.5125 17 11 4 2 0 0 0 4 0 2 2 12 434.168 0 0 0 0 -1 11 689 0 0 0 3 2 4 0 3 0 0 0 1 0 0 0 1 0 0 2 1 0 0 1 4 9 3 1 12 1 3 0 0 0 0 0 1 5 0 11 0 0 0 6 11 0 0 4 4 4 2 0 0 0 4 2 1 1 0 0 -3.1612 22 12 2 7 1 0 1.5 2 0 5 4 10 488.562 0.999 0.999 0 0.999 -5 30 453 0 0 0 4 3 1 0 1 0 0 0 1 0 3 0 4 0 0 4 1 0 0 4 5 12 1 4 13 1 4 0 0 0 0 0 6 5 3 8 0 0 0 14 8 0 0 6 13 2 5 0 0 0 3 0 1 1 0 0 -2.4303 31 21 5 4 1 0 1.5 5 0 3 3 16 829.996 0 0 0 0 -4 40 800 0 0 0 0 6 2 0 3 0 1 0 6 0 2 0 1 0 0 8 2 0 0 5 6 17 3 5 20 6 0 0 0 0 0 0 14 3 2 12 0 0 0 19 12 0 0 # 20.388 10.572 36.897 # GLY 195 Env_1sqt_12 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 8 171 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 57 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 0 2 0 1 0 0 0 0 0 0 0 0 0 -0.6822 3 2 1 0 0 0 0 1 0 0 0 2 81.157 0 0 0 0 0 1 197 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 1 0 0 1 0 2 0 0 0 0 0 0 0 1 2 0 0 0 1 2 0 0 5 2 0 3 0 0 0 3 0 0 0 0 0 -0.0259 13 7 3 3 0 0 0 3 0 3 0 10 298.532 0 0 0 0 -5 6 1166 0 0 6 1 0 0 3 0 0 0 1 0 0 0 0 0 1 0 1 0 0 0 1 4 8 0 1 8 0 4 0 0 0 0 0 0 1 11 1 0 0 0 12 1 0 0 3 7 0 4 0 0 0 3 0 1 0 0 0 -2.5159 18 10 4 4 0 0 1 4 0 3 0 13 453.579 0 0 0 0 -6 9 1612 0 0 1 1 0 0 3 0 0 0 2 3 0 0 0 2 5 0 1 0 0 0 2 7 9 0 2 9 3 4 0 0 0 0 0 0 7 7 4 0 0 0 14 4 0 0 3 11 3 3 0 0 0 3 2 0 0 0 0 -2.9246 25 17 3 5 0 0 0 3 0 4 3 11 634.997 0.999 0.999 0 0.999 0 36 2275 0 0 0 0 0 0 3 0 0 0 3 5 0 0 2 2 1 0 9 0 0 0 5 8 12 0 5 12 5 3 0 0 0 0 0 0 3 12 10 0 0 0 15 10 0 0 # 21.7607 15.2463 47.8347 # ASP 146 Env_1sqt_13 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 52 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 7 104 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 2 0 0 0 0 0 0 2 0 0 0 0 0 0.0586 4 2 0 2 0 0 0 0 0 2 0 4 90.008 0 0 0 0 -2 0 370 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 4 0 0 2 2 0 0 0 0 0 0 0 4 0 0 0 0 0 4 0 0 0 1 4 2 2 0 0 0 2 0 0 0 0 0 -1.926 11 7 2 2 0 0 0 2 0 2 2 7 271.854 0 0 0 0 0 10 529 0 0 0 2 0 0 0 0 1 0 0 2 0 0 1 0 0 0 5 0 0 0 1 4 6 0 1 5 3 2 0 0 0 0 0 2 9 0 0 0 0 0 11 0 0 0 3 9 1 2 0 0 0 1 0 0 0 0 0 -0.0772 16 13 2 1 0 0 0 2 0 1 2 8 449.536 0 0 0 0 4 14 1041 0 2 0 2 0 0 0 0 2 0 0 3 0 0 1 0 0 0 6 0 0 0 1 7 8 0 1 6 7 2 0 0 0 0 0 4 12 0 0 0 0 0 16 0 0 0 3 5 7 3 0 0 0 3 2 1 0 0 0 -4.2972 24 15 3 6 0 0 1 3 0 4 7 10 551.236 0.999 0.999 0 0.999 -3 42 1434 0 3 0 3 0 1 1 1 2 0 1 2 0 0 3 0 0 0 7 0 0 0 4 9 10 1 4 9 7 4 0 2 0 0 0 6 14 2 0 0 0 2 22 0 0 0 # 22.228 30.614 30.516 # LYS 226 Env_1sqt_14 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 30 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 60 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 0 0 0 0 0 0 2 0 0 0 0 0 -1.1905 2 0 0 2 0 0 0 0 0 2 0 1 22.988 0 0 0 0 -2 4 173 0 0 0 1 0 1 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 0 0 0 1 0 1 0 0 0 1 1 0 0 2 5 0 2 0 0 0 1 0 0 0 0 0 -0.7524 10 7 2 1 0 0 0 2 0 1 0 4 271.699 0 0 0 0 1 13 1032 0 0 0 1 0 4 0 0 0 0 0 2 0 0 0 1 0 0 2 0 0 0 0 3 7 0 0 7 2 1 0 0 0 0 0 0 5 2 3 0 0 0 7 3 0 0 4 5 2 3 0 0 0 4 0 1 0 0 0 -2.5227 19 11 3 5 0 0 1 3 0 4 3 13 447.245 0 0 0 0 -4 20 1945 0 0 1 3 0 2 0 0 0 0 1 0 0 0 0 2 3 0 7 0 0 0 1 3 15 0 1 15 0 3 0 0 0 0 0 0 7 5 7 0 0 0 12 7 0 0 5 4 2 4 0 0 0 1 0 0 1 0 0 0.9335 17 11 4 1 1 0 0.5 4 0 1 2 12 424.38 0.333 0.333 0 0.333 -4 9 1320 0 0 1 1 1 2 0 1 0 0 3 3 0 0 0 2 1 0 2 0 0 0 3 4 9 1 3 10 3 1 0 0 0 0 0 0 6 5 6 0 0 0 11 6 0 0 # 25.806 14.42 41.265 # LYS 141 Env_1sqt_15 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 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 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0.0045 4 4 0 0 0 0 0 0 0 0 0 1 134.04 0 0 0 0 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 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 2 1 0 1 0 0 0 2 0 0 0 0 0 -0.496 6 3 1 2 0 0 0 1 0 2 0 6 137.655 0 0 0 0 -3 0 159 0 0 0 0 0 0 0 1 0 0 0 3 0 0 2 0 0 0 0 0 0 0 2 3 0 1 2 1 3 0 0 0 0 0 0 6 0 0 0 0 0 0 6 0 0 0 2 4 6 1 0 0 0 3 0 1 1 0 0 -3.3148 18 12 1 4 1 0 1.5 1 0 3 7 6 439.552 0 0 0 0 3 43 394 2 0 0 2 1 0 0 2 0 1 0 2 0 0 0 0 0 2 6 0 0 0 3 4 9 2 5 9 2 2 0 0 1 0 0 7 8 2 0 0 0 1 17 0 0 0 4 11 5 4 0 0 0 1 0 0 1 0 0 -1.5717 26 20 4 1 1 0 0.5 4 0 1 6 12 705.003 0 0 0 0 5 37 525 5 0 0 2 4 0 0 1 0 3 1 2 0 0 0 0 0 2 4 2 0 0 11 4 10 1 13 9 2 2 0 0 0 0 0 18 6 2 0 0 0 0 26 0 0 0 6 11 5 4 0 0 0 6 3 1 0 0 0 -4.6647 36 22 4 10 0 0 1 4 0 7.5 5 19 862.54 1.332 1.332 0 1.332 -6 45 1277 2 2 0 5 6 0 1 1 0 0 1 3 0 0 0 0 0 3 10 2 0 0 5 11 19 1 8 17 5 6 0 0 5 0 3 12 13 2 1 0 0 5 30 1 0 0 # 15.5086 26.3194 31.0886 # PRO 227 Env_1sqt_16 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 3 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 1 0 0 0 0 0 0 1 0 0 0 2 0 0 2 0 0 0 1 0 0 0 0 0 -0.2123 5 2 2 1 0 0 0 2 0 1 0 5 106.788 0 0 0 0 -3 0 10 0 0 0 0 0 0 0 3 0 0 0 0 0 0 1 0 0 0 0 1 0 0 2 0 0 3 2 3 0 0 0 0 0 0 0 5 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 -1.1427 2 0 0 2 0 0 0 0 0 2 0 2 22.988 0 0 0 0 -2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 4 5 2 2 0 0 0 2 2 2 0 0 0 -2.8712 19 11 2 6 0 0 2 2 0 3 3 8 442.62 0.999 0.999 0 0.999 -3 32 60 2 0 0 3 0 0 0 0 0 0 0 0 0 0 3 1 0 1 4 5 0 0 10 3 6 0 11 5 0 3 0 0 0 0 3 15 0 0 1 0 0 0 18 1 0 0 4 11 4 3 0 0 0 2 0 1 0 0 0 -1.7989 25 19 3 3 0 0 1 3 0 2 5 12 672.417 0 0 0 0 2 33 276 5 0 0 0 3 0 0 2 0 0 1 2 0 0 2 1 0 1 7 1 0 0 9 2 12 2 10 13 2 0 0 0 0 0 0 21 3 0 1 0 0 0 24 1 0 0 5 11 7 5 0 0 0 4 0 0 2 0 0 -3.2657 34 23 5 4 2 0 1 5 0 4 7 19 873.684 0 0 0 0 1 37 605 0 1 0 3 4 0 0 3 0 0 1 2 0 0 0 6 0 8 4 2 0 0 3 6 22 3 11 17 3 3 0 0 1 0 3 24 2 0 4 0 0 1 29 4 0 0 # 15.711 21.482 31.369 # GLY 228 Env_1sqt_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 18 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 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 36 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 2 0 0 0 0 0 0 2 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 0 187 2 0 0 0 2 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 3 0 3 0 4 2 0 0 0 0 0 0 0 5 0 1 0 0 0 0 6 0 0 0 4 9 0 3 0 0 0 2 1 0 0 0 0 -1.1407 19 13 3 3 0 0 0 3 0 2.5 0 12 502.235 0.666 0.666 0 0.666 -2 12 864 0 0 0 4 2 0 0 0 0 3 1 4 0 0 0 0 4 1 0 0 0 0 4 8 7 0 5 6 4 4 0 0 0 0 7 3 0 1 8 0 0 0 11 8 0 0 3 11 0 1 0 0 0 4 1 0 0 0 0 -1.7188 20 14 1 5 0 0 0 1 0 4.5 0 11 543.39 0.333 0.333 0 0.333 -1 19 869 0 0 0 4 1 0 0 0 0 4 5 2 0 0 0 1 1 2 0 0 0 0 9 6 5 0 11 3 2 4 0 0 0 0 8 6 0 2 4 0 0 0 16 4 0 0 4 5 3 5 0 1 0 3 1 2 1 0 0 -4.4079 25 12 6 6 1 0 2.5 5 1 3.5 3 11 569.987 1.666 0.666 1 1.666 -4 34 1437 0 0 0 3 2 2 0 3 0 1 0 5 0 0 0 3 2 4 0 0 0 0 1 8 13 3 5 12 5 3 0 0 0 0 1 4 4 5 11 0 0 0 14 11 0 0 # 16.397 23.697 40.448 # ALA 222 Env_1sqt_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 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 1 0 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 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 4 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 0 0 0 4 0 0 0 0 0 0 4 0 0 0 2 0 3 1 0 0 1 2 0 0 0 0 0 -0.6967 9 5 2 2 0 0 0 1 1 2 4 5 192.403 0 0 0 0 -2 16 106 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 5 1 2 0 0 2 0 6 1 7 2 0 0 0 0 0 0 0 9 0 0 0 0 0 0 9 0 0 0 1 3 6 1 0 0 0 3 0 0 1 0 0 -2.7793 15 10 1 3 1 0 0.5 1 0 3 6 8 362.364 0 0 0 0 0 26 207 0 0 0 0 1 0 0 2 0 0 1 0 0 0 1 0 0 8 2 0 0 0 2 0 11 2 10 5 0 0 0 0 0 0 0 14 1 0 0 0 0 0 15 0 0 0 5 12 4 5 0 0 0 1 0 2 2 0 0 -2.0835 31 21 5 3 2 0 2.5 5 0 1 5 14 826.416 0 0 0 0 2 40 301 0 0 0 0 4 0 0 3 0 0 3 0 3 0 1 5 0 1 9 2 0 0 9 0 19 3 10 21 0 0 0 0 1 0 0 25 3 2 0 0 0 1 30 0 0 0 5 12 5 5 0 0 0 7 0 0 0 0 0 -4.5731 34 22 5 7 0 0 0 5 0 7 6 21 834.545 0 0 0 0 -1 33 444 3 1 0 0 2 0 0 1 2 1 2 0 4 0 5 1 2 0 7 3 0 0 18 1 14 1 18 13 3 0 0 0 0 0 0 26 4 3 1 0 0 0 33 1 0 0 # 17.364 21.162 26.928 # VAL 229 Env_1sqt_19 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 11 138 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 3 0 0 0 0 0 0 0 0 0 3 0 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 92 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 2 0 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 0.2043 2 2 0 0 0 0 0 0 0 0 0 0 67.02 0 0 0 0 1 2 66 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 2 0 0 1 1 0 0 1 0 0 0 0 1 0 0 0 0 1 1 0 0 0 3 3 0 2 0 0 1 2 2 1 1 0 0 -3.0797 15 6 3 5 1 0 1.5 2.5 0.5 3 1 8 325.48 0.999 0.999 0 1.499 -8 16 305 1 0 0 3 3 0 0 0 5 0 0 0 0 0 0 3 0 0 0 0 0 0 1 3 11 0 1 6 5 3 0 7 0 0 0 3 1 0 4 0 0 7 4 4 0 0 4 7 3 5 0 0 1 3 0 2 1 0 0 -2.7844 26 14 6 5 1 0 2.5 5.5 0.5 3 4 15 628.812 0 0 0 0.5 -10 27 416 3 0 0 1 2 0 0 1 5 0 0 0 0 0 0 8 2 1 1 2 0 0 5 1 19 1 6 14 5 1 0 3 0 0 0 13 5 0 5 0 0 3 18 5 0 0 3 8 1 2 0 0 0 3 0 0 0 0 0 -1.8704 17 12 2 3 0 0 0 2 0 3 2 12 444.956 0 0 0 0 -2 13 189 1 0 0 3 3 0 0 1 0 0 0 0 0 1 0 0 2 2 2 2 0 0 4 3 9 1 6 8 0 3 0 4 0 0 0 5 2 0 6 0 0 4 7 6 0 0 # 22.2765 11.92 28.513 # HIS 45 Env_1sqt_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 -0.5471 6 6 0 0 0 0 0 0 0 0 6 0 147.242 0 0 0 0 5 27 120 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 0 0 0 6 0 0 0 0 0 0 6 0 0 0 0 2 2 0 0 0 1 0 0 0 0 0 0 -0.6677 5 4 1 0 0 0 0 0 1 0 3 0 134.699 0 0 0 0 2 12 62 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 2 0 0 2 0 3 0 5 0 0 0 0 0 0 0 0 5 0 0 0 0 0 0 5 0 0 0 3 7 5 2 0 0 0 2 0 0 0 0 0 -1.9357 19 15 2 2 0 0 0 2 0 2 6 9 500.094 0 0 0 0 5 26 299 3 0 0 0 0 0 0 2 0 0 3 0 0 0 0 0 0 4 6 1 0 0 7 0 10 2 11 8 0 0 0 0 0 0 0 7 6 3 3 0 0 0 16 3 0 0 4 10 1 5 0 0 0 4 1 1 1 0 0 -4.5229 27 15 5 6 1 0 1 5 0 4.5 1 16 670.137 0.333 0.333 0 0.333 -3 29 859 1 1 0 0 0 0 4 2 2 0 4 0 1 0 1 0 0 1 2 8 0 0 15 5 5 2 16 4 3 4 0 4 0 0 0 12 2 8 1 0 0 4 22 1 0 0 7 13 1 2 0 0 1 5 0 1 2 0 0 -0.6811 32 21 3 6 2 0 2 2.5 0.5 5 2 18 854.37 0.333 0.333 0 0.833 -4 29 1059 1 2 0 0 2 0 3 3 6 0 1 0 3 0 1 4 1 0 3 2 0 0 8 5 16 3 8 13 8 3 0 3 1 0 0 21 2 4 1 0 0 4 27 1 0 0 # 20.8682 22.2645 26.4382 # TRP 217 Env_1sqt_21 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 10 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 20 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 0 0 1 0 0 0 1 1 1 0 0 0 -1.7456 5 1 1 3 0 0 1 1 0 1.5 0 3 90.435 0.333 0.333 0 0.333 -4 9 38 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 3 0 0 1 0 0 0 0 1 4 0 0 4 0 1 0 0 0 0 1 1 0 0 3 0 0 0 2 3 0 0 3 5 2 1 0 0 0 1 0 0 0 0 0 -0.4985 12 10 1 1 0 0 0 1 0 1 3 5 320.891 0.333 0.333 0 0.333 3 22 65 0 0 0 4 1 0 0 1 0 1 0 0 0 0 0 0 0 0 3 2 0 0 3 4 4 1 3 5 0 4 0 0 0 0 4 7 0 0 1 0 0 0 11 1 0 0 3 9 2 3 0 0 0 1 2 0 0 0 0 -2.0111 20 14 3 3 0 0 0 3 0 2 2 8 524.41 0.999 0.999 0 0.999 3 25 93 0 0 0 6 3 0 0 2 0 4 0 0 0 0 0 0 0 0 2 3 0 0 7 6 5 2 7 7 0 6 0 0 0 0 3 10 0 0 7 0 0 0 13 7 0 0 7 14 1 8 0 0 0 7 1 0 1 0 0 -5.6354 39 22 8 8 1 0 0.5 8 0 7.5 1 28 958.501 0.333 0.333 0 0.333 -10 21 412 2 0 0 5 3 1 0 3 0 4 1 0 0 0 2 3 3 3 1 8 0 0 17 5 14 3 20 14 0 5 0 0 0 0 0 25 3 0 11 0 0 0 28 11 0 0 # 15.046 17.641 34.099 # SER 192 Env_1sqt_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 6 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 2 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 0 3 0 3 0 0 0 1 0 0 0 0 0 -1.9684 7 3 3 1 0 0 0 3 0 1 0 6 154.435 0 0 0 0 -3 3 16 0 0 0 2 1 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 2 2 1 2 2 3 0 2 0 0 0 0 0 0 0 0 7 0 0 0 0 7 0 0 7 7 0 3 0 0 0 4 0 0 0 0 0 0.8193 21 14 3 4 0 0 0 3 0 4 0 18 557.527 0 0 0 0 -5 4 84 0 0 0 2 3 0 0 8 0 3 0 0 0 2 0 3 0 0 0 0 0 0 5 2 6 8 5 14 0 2 0 0 0 0 0 4 2 2 13 0 0 0 8 13 0 0 5 7 0 6 0 0 0 7 0 1 0 0 0 -5.0182 26 12 6 8 0 0 1 6 0 7 0 22 584.557 0 0 0 0 -12 7 702 0 0 0 2 1 4 0 2 0 4 0 4 0 2 0 4 2 0 0 1 0 0 7 6 11 2 7 13 4 2 0 0 0 0 3 3 7 2 11 0 0 0 15 11 0 0 3 11 0 2 0 0 0 3 0 1 1 0 0 -1.6105 21 14 2 4 1 0 1.5 2 0 3 0 10 575.574 0 0 0 0 2 17 350 0 0 0 0 1 1 1 0 0 5 0 4 0 1 0 4 2 0 0 2 0 0 8 5 8 0 8 8 4 1 0 0 0 0 0 12 5 2 2 0 0 0 19 2 0 0 # 15.7643 13.062 37.5707 # ASP 196 Env_1sqt_23 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 9 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 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 36 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 0 0 0 4 0 0 0 0 0 0 4 0 0 0 1 0 0 1 0 0 0 2 0 0 0 0 0 -0.9682 4 1 1 2 0 0 0 1 0 2 0 4 70.635 0 0 0 0 -3 0 26 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 2 0 0 2 1 1 0 2 1 0 1 0 0 0 0 0 3 0 0 1 0 0 0 3 1 0 0 5 7 2 3 0 0 0 2 0 0 0 0 0 0.1397 19 14 3 2 0 0 0 3 0 2 2 15 520.561 0 0 0 0 -2 9 92 0 0 0 2 0 0 0 7 0 3 0 0 0 0 0 5 0 0 2 0 0 0 3 2 7 7 3 14 0 2 0 0 0 0 0 6 7 0 6 0 0 0 13 6 0 0 3 5 2 3 0 0 0 5 0 3 0 0 0 -4.2535 21 10 3 8 0 0 3 3 0 5 3 11 453.601 0 0 0 0 -7 26 105 0 0 0 1 0 0 0 1 0 3 0 0 0 0 3 7 0 1 4 1 0 0 7 1 12 1 8 12 0 1 0 0 0 0 0 15 3 0 3 0 0 0 18 3 0 0 6 13 2 7 0 0 0 4 2 1 0 0 0 -4.5002 35 21 7 7 0 0 1 7 0 5 2 21 867.167 0.999 0.999 0 0.999 -6 29 177 1 0 0 4 2 0 0 3 1 4 3 0 0 0 2 4 2 2 5 2 0 0 12 4 16 3 14 16 1 4 0 1 0 0 0 23 1 0 10 0 0 1 24 10 0 0 # 15.378 13.684 30.895 # VAL 215 Env_1sqt_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 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 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 0 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 2 0 0 0 0 0 0 2 0 0 0 2 0 1 1 0 0 0 3 0 0 0 0 0 -1.1803 7 3 1 3 0 0 0 1 0 3 1 6 142.16 0 0 0 0 -3 4 101 3 0 0 0 2 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 3 1 3 0 3 3 1 0 0 0 0 0 0 7 0 0 0 0 0 0 7 0 0 0 2 8 1 2 0 0 0 1 0 1 0 0 0 -2.2552 15 11 2 2 0 0 1 2 0 1 2 7 405.615 0 0 0 0 2 26 221 1 0 0 0 1 0 0 1 0 0 5 2 0 0 0 0 0 0 3 2 0 0 8 2 4 1 8 5 2 0 0 0 0 0 0 15 0 0 0 0 0 0 15 0 0 0 5 15 3 3 0 0 0 4 0 0 0 0 0 -1.3749 30 23 3 4 0 0 0 3 0 4 3 15 832.208 0 0 0 0 6 27 332 3 0 0 0 3 0 0 3 0 4 7 1 0 0 1 0 0 0 4 4 0 0 19 1 7 3 19 10 1 0 0 0 0 0 0 30 0 0 0 0 0 0 30 0 0 0 4 15 0 5 0 0 0 3 1 0 3 0 0 -4.1213 31 19 5 4 3 0 1.5 5 0 3.5 0 18 835.557 0.333 0.333 0 0.333 -3 26 450 0 0 0 2 7 0 0 0 0 6 4 2 0 0 3 0 1 0 2 4 0 0 17 4 10 0 17 10 2 2 0 0 0 0 1 28 0 0 2 0 0 0 29 2 0 0 # 9.958 21.752 30.254 # ALA 183 Env_1sqt_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 2 134 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 1 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 3 402 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 3 0 0 0 0 0 3 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 0 459 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 1 3 0 0 3 0 1 0 0 0 0 0 0 3 0 1 0 0 0 3 1 0 0 3 2 0 1 0 0 0 1 1 0 0 0 0 -0.0435 8 5 1 2 0 0 0 1 0 1.5 0 5 194.387 0.333 0.333 0 0.333 -2 6 552 0 0 3 2 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 2 6 0 0 6 0 2 0 0 0 0 0 0 3 3 2 0 0 0 6 2 0 0 2 4 0 1 0 0 0 3 1 0 0 0 0 -1.9568 11 6 1 4 0 0 0 1 0 3.5 0 5 261.177 0.666 0.666 0 0.666 -4 13 743 0 0 4 5 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 5 6 0 0 6 0 5 0 0 0 0 0 0 2 4 5 0 0 0 6 5 0 0 0 0 0 2 0 0 0 0 0 1 0 0 0 -1.4858 3 0 2 1 0 0 1 2 0 0 0 2 45.431 0 0 0 0 -3 2 340 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 3 0 0 3 0 0 0 0 0 0 0 0 1 2 0 0 0 0 3 0 0 0 # 24.539 19.821 47.658 # THR 145 Env_1sqt_26 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 63 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 1 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 1 126 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 2 0 0 0 0 0 2 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 -0.4946 2 1 1 0 0 0 0 1 0 0 0 1 47.647 0 0 0 0 -1 1 82 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 2 0 0 2 0 0 0 0 0 0 0 1 1 0 0 0 0 0 2 0 0 0 3 2 0 2 0 0 0 3 0 0 2 0 0 -0.9824 12 5 2 3 2 0 1 2 0 3 0 9 283.348 0 0 0 0 -6 7 552 0 0 2 0 6 0 0 0 0 1 0 0 0 0 0 2 1 0 0 0 0 0 1 0 11 0 1 11 0 0 0 0 0 0 1 5 3 2 1 0 0 0 11 1 0 0 1 9 0 2 0 0 0 1 0 0 0 0 0 -1.4803 13 10 2 1 0 0 0 2 0 1 0 7 374.868 0 0 0 0 2 11 757 1 0 3 0 1 0 0 3 0 1 2 0 0 0 0 0 2 0 0 0 0 0 4 0 6 3 4 9 0 0 0 0 0 0 1 6 2 3 1 0 0 0 12 1 0 0 4 10 0 5 1 0 0 4 0 1 0 0 0 -4.594 25 14 6 5 0 0 1 5.5 0.5 4 0 13 624.748 0.333 0 0.333 0.333 -4 26 1427 4 1 2 1 1 1 2 1 0 2 3 3 0 0 0 1 3 0 0 0 0 0 9 7 8 1 9 9 4 3 0 0 0 0 2 9 4 4 6 0 0 0 19 6 0 0 # 22.318 21.235 41.522 # SER 144