REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 04-SEP-08 3EEA COMPND GAF DOMAIN/HD DOMAIN PROTEIN; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACTER SULFURREDUCENS; SOURCE 3 ORGANISM_TAXID: 35554; SOURCE 4 STRAIN: PCA; SOURCE 5 GENE: GSU1007; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PMCSG7 AUTHOR R.ZHANG,C.HATZOS,S.CLANCY,A.JOACHIMIAK,MIDWEST CENTER FOR AUTHOR 2 STRUCTURAL GENOMICS (MCSG) HET PG6 A 163 18 HET PG6 B 163 18 SITE 1 AC1 9 ARG A 32 TRP A 33 TYR A 37 LEU A 54 SITE 1 AC2 8 ARG B 32 TRP B 33 TYR B 37 PHE B 58 >GLU.A 6 26.87 18.68 18.18 26.98 20.30 16.83 26.93 19.49 17.51 2 0 35.96 -999 ? C1 PG6 B 163 >ARG~A 7 23.55 22.12 14.30 21.67 24.37 15.25 22.61 23.25 14.78 2 0 34.94 -999 ? O3 PG6 A 163 >LEU~A 8 17.65 19.24 16.91 16.37 18.70 18.53 17.01 18.97 17.72 3 0 31.44 -999 ? C4 PG6 A 163 >SER~A 9 18.39 17.87 12.56 20.33 19.13 11.72 19.36 18.50 12.14 2 0 29.56 -999 ? O3 PG6 A 163 >GLY~A 10 20.43 14.60 12.64 19.82 14.76 13.13 20.12 14.68 12.88 1 0 28.68 -999 ? O3 PG6 A 163 >LEU~A 11 18.32 13.48 16.70 20.06 13.22 17.92 19.19 13.35 17.31 3 0 30.20 -999 ? C1 PG6 B 163 >THR~A 12 14.85 14.07 13.62 14.64 16.04 14.53 14.74 15.06 14.08 2 0 26.65 -999 ? C4 PG6 A 163 >ASP~A 13 16.67 12.45 9.50 16.77 12.50 7.40 16.72 12.47 8.45 2 0 22.17 -999 ? O3 PG6 A 163 >VAL~A 14 11.83 11.70 9.17 10.46 13.41 9.52 11.14 12.56 9.34 3 0 19.64 -999 ? C4 PG6 A 163 >ASP~A 15 13.26 11.84 4.43 13.14 10.94 2.49 13.20 11.39 3.46 2 0 16.18 -999 ? O3 PG6 A 163 >GLU~A 16 17.77 9.18 6.75 18.79 8.16 5.21 18.28 8.67 5.98 2 0 21.98 -999 ? O3 PG6 A 163 >VAL~A 17 12.70 6.66 8.82 11.87 7.07 10.84 12.29 6.86 9.83 3 0 19.74 -999 ? C4 PG6 A 163 >ILE~A 18 9.55 7.74 5.15 8.30 7.37 5.42 8.93 7.56 5.28 3 0 14.23 -999 ? C4 PG6 A 163 >LYS~A 19 13.04 5.15 3.46 17.57 6.98 0.09 15.31 6.06 1.78 2 0 18.49 -999 ? C7 PG6 A 163 >ASP~A 20 14.52 2.59 7.36 16.51 3.30 7.36 15.51 2.95 7.36 2 0 21.62 -999 ? O3 PG6 A 163 >LEU~A 21 9.09 2.55 6.94 7.02 1.95 7.42 8.06 2.25 7.18 3 0 15.42 -999 ? C4 PG6 A 163 >SER~A 22 9.59 1.35 2.72 8.77 3.56 2.18 9.18 2.46 2.45 2 0 12.47 -999 ? C4 PG6 A 163 >ARG~A 23 16.36 -0.91 2.73 18.22 -3.28 2.56 17.29 -2.10 2.64 2 0 21.85 -999 ? C12 PG6 A 163 >LEU~A 24 11.58 -2.93 6.47 11.98 -4.36 8.01 11.78 -3.65 7.24 3 0 20.16 -999 ? C4 PG6 A 163 >LEU~A 25 6.95 -2.39 3.65 5.69 -1.60 5.18 6.32 -2.00 4.41 3 0 14.27 -999 ? C4 PG6 A 163 >ARG~A 26 9.27 -1.49 -2.32 8.45 -2.67 -5.07 8.86 -2.08 -3.70 2 0 9.77 -999 ? C12 PG6 A 163 >LYS~A 27 11.39 -7.09 1.63 17.13 -5.33 2.86 14.26 -6.21 2.24 2 0 21.75 -999 ? C12 PG6 A 163 >LEU~A 28 8.28 -7.93 5.19 9.53 -8.18 6.93 8.91 -8.06 6.06 3 0 20.46 -999 ? C4 PG6 A 163 >VAL~A 29 5.62 -8.36 1.58 3.74 -7.65 2.58 4.68 -8.01 2.08 3 0 16.31 -999 ? C12 PG6 A 163 >LYS.A 30 5.55 -8.79 -2.22 6.91 -14.84 -3.88 6.23 -11.82 -3.05 2 0 18.21 -999 ? C12 PG6 A 163 >THR.A 31 4.40 -5.47 -3.69 5.05 -4.32 -1.91 4.73 -4.90 -2.80 2 0 11.19 -999 ? C12 PG6 A 163 >ARG.A 32 2.51 -2.47 -9.94 3.34 -2.43 -12.89 2.92 -2.45 -11.42 2 0 -4.16 -999 ? C12 PG6 A 163s >TRP^A 33 3.18 0.89 -8.12 0.46 2.61 -5.82 1.82 1.75 -6.97 3 0 -4.28 -999 ? C12 PG6 A 163s >ILE^A 34 5.57 1.35 -0.81 5.78 0.58 0.44 5.68 0.96 -0.19 3 0 9.84 -999 ? C4 PG6 A 163 >ALA^A 35 3.60 5.43 -1.73 2.56 5.85 -2.77 3.08 5.64 -2.25 2 0 4.30 -999 ? O3 PG6 A 163 >VAL^A 36 3.91 7.33 1.57 5.26 6.64 3.16 4.58 6.98 2.36 3 0 9.03 -999 ? C4 PG6 A 163 >TYR^A 37 0.62 10.50 0.39 0.34 10.05 -2.35 0.48 10.27 -0.98 3 0 -5.57 -999 ? C4 PG6 A 163s >PHE^A 38 4.44 12.92 6.24 6.71 11.45 6.96 5.57 12.18 6.60 3 0 14.24 -999 ? C4 PG6 A 163 >PHE^A 39 -3.46 14.64 7.59 -5.98 15.84 7.51 -4.72 15.24 7.55 3 0 12.99 -999 ? O1 PG6 A 163 >ASP.A 40 -0.58 19.05 5.10 1.16 18.44 4.07 0.29 18.74 4.58 2 0 14.98 -999 ? O1 PG6 A 163 >ARG.A 43 -2.10 23.81 1.97 -4.37 25.78 1.17 -3.23 24.79 1.57 2 0 19.22 -999 ? O1 PG6 A 163 >ARG.A 44 -9.97 20.47 4.33 -10.29 20.06 1.28 -10.13 20.27 2.81 2 0 14.11 -999 ? C1 PG6 A 163 >ASP.A 45 -4.79 17.53 1.42 -3.20 18.86 1.06 -3.99 18.20 1.24 2 0 12.69 -999 ? O1 PG6 A 163 >PHE^A 46 -3.23 12.25 3.11 -4.68 11.20 5.26 -3.96 11.72 4.18 3 0 8.35 -999 ? O1 PG6 A 163 >ALA^A 47 1.20 15.43 0.83 1.94 16.59 1.48 1.57 16.01 1.16 2 0 12.17 -999 ? O3 PG6 A 163 >PRO^A 48 2.94 14.33 -2.92 3.07 13.58 -0.84 3.01 13.96 -1.88 3 0 8.50 -999 ? C6 PG6 A 163 >ALA^A 49 6.55 12.05 1.10 6.31 11.49 2.49 6.43 11.77 1.79 2 0 11.44 -999 ? O3 PG6 A 163 >ARG^A 50 11.48 7.44 0.51 13.93 8.91 -0.52 12.70 8.18 0.00 2 0 15.03 -999 ? C7 PG6 A 163 >SER^A 51 7.50 6.38 -3.16 7.71 7.29 -5.47 7.61 6.83 -4.32 2 0 7.21 -999 ? C7 PG6 A 163 >THR^A 52 9.32 3.19 -4.01 10.52 2.48 -2.37 9.92 2.84 -3.19 2 0 12.16 -999 ? O3 PG6 A 163 >GLY.A 53 8.81 1.11 -7.11 8.58 1.81 -7.12 8.70 1.46 -7.11 1 0 8.13 -999 ? C12 PG6 A 163 >LEU.A 54 6.22 4.89 -8.89 4.54 5.70 -7.82 5.38 5.30 -8.35 3 0 -4.80 -999 ? C8 PG6 A 163s >PRO~A 55 5.01 2.24 -13.09 6.83 3.20 -12.26 5.92 2.72 -12.67 3 0 4.71 -999 ? C12 PG6 A 163 >ALA~A 56 9.40 6.21 -13.76 10.66 6.10 -14.61 10.03 6.15 -14.19 2 0 10.79 -999 ? C12 PG6 A 163 >SER~A 57 6.73 7.95 -15.85 5.11 6.32 -16.63 5.92 7.14 -16.24 2 0 7.01 -999 ? C10 PG6 A 163 >PHE~A 58 2.67 6.56 -13.31 0.89 5.62 -15.27 1.78 6.09 -14.29 3 0 -3.58 -999 ? C10 PG6 A 163s >LEU~A 59 8.60 9.51 -10.48 9.89 9.26 -8.81 9.25 9.38 -9.64 3 0 8.64 -999 ? C7 PG6 A 163 >PRO~A 60 7.25 12.85 -13.65 6.52 12.67 -11.52 6.89 12.76 -12.58 3 0 9.10 -999 ? C7 PG6 A 163 >VAL~A 61 2.59 12.59 -10.93 1.07 11.51 -12.06 1.83 12.05 -11.49 3 0 5.66 -999 ? O4 PG6 A 163 >PHE~A 62 4.47 9.98 -5.60 4.96 9.88 -2.86 4.71 9.93 -4.23 3 0 5.80 -999 ? C7 PG6 A 163 >ARG~A 63 9.14 13.82 -6.37 11.68 12.65 -7.65 10.41 13.23 -7.01 2 0 11.85 -999 ? C7 PG6 A 163 >GLU~A 64 2.11 16.67 -9.98 2.58 17.35 -11.95 2.34 17.01 -10.96 2 0 10.64 -999 ? C7 PG6 A 163 >MET~A 65 -0.46 15.40 -6.57 -2.87 12.32 -8.29 -1.66 13.86 -7.43 2 0 -5.31 -999 ? C6 PG6 A 163s >PRO.A 66 -2.39 18.25 -3.74 -1.52 16.17 -3.72 -1.96 17.21 -3.73 3 0 9.98 -999 ? C6 PG6 A 163 >LEU.A 67 -4.34 12.31 -1.63 -3.62 10.66 -2.90 -3.98 11.49 -2.27 3 0 4.95 -999 ? O1 PG6 A 163 >ALA.A 68 -7.68 15.64 -0.54 -8.11 16.91 -1.25 -7.90 16.27 -0.90 2 0 10.24 -999 ? O1 PG6 A 163 >PRO.A 69 -8.57 14.11 3.35 -9.60 13.99 1.35 -9.09 14.05 2.35 3 0 8.89 -999 ? C1 PG6 A 163 >ASP.A 70 -12.77 17.53 0.77 -12.85 18.05 2.89 -12.81 17.79 1.83 2 0 13.63 -999 ? C1 PG6 A 163 >LYS.A 71 -12.33 14.79 -3.04 -13.66 18.91 -5.38 -13.00 16.85 -4.21 2 0 13.99 -999 ? C1 PG6 A 163 >ILE~A 72 -10.03 10.83 -2.47 -8.82 10.49 -3.14 -9.42 10.66 -2.81 3 0 -4.42 -999 ? C1 PG6 A 163s >PRO~A 73 -15.73 9.64 -2.24 -13.83 9.56 -0.98 -14.78 9.60 -1.61 3 0 7.96 -999 ? C1 PG6 A 163 >LEU~A 74 -10.95 5.52 -0.60 -10.08 3.51 -0.52 -10.52 4.52 -0.56 3 0 -4.28 -999 ? C1 PG6 A 163s >LEU~A 75 -8.70 9.72 1.23 -6.55 9.93 1.35 -7.63 9.82 1.29 3 0 4.84 -999 ? C1 PG6 A 163 >LYS~A 76 -12.14 10.46 3.93 -17.25 12.01 4.98 -14.69 11.23 4.45 2 0 13.41 -999 ? C1 PG6 A 163 >SER~A 77 -13.27 7.06 5.29 -15.09 6.33 3.91 -14.18 6.70 4.60 2 0 9.99 -999 ? C1 PG6 A 163 >MET~A 78 -9.75 5.97 6.17 -5.71 5.83 4.86 -7.73 5.90 5.52 2 0 7.33 -999 ? O1 PG6 A 163 >LEU~A 79 -9.18 10.62 7.29 -8.25 12.50 7.86 -8.72 11.56 7.58 3 0 11.19 -999 ? C1 PG6 A 163 >ARG~A 80 -14.93 11.60 9.50 -14.34 14.55 8.83 -14.63 13.08 9.17 2 0 15.36 -999 ? C1 PG6 A 163 >LYS~A 81 -12.33 5.72 11.03 -16.55 4.42 8.01 -14.44 5.07 9.52 2 0 14.09 -999 ? C1 PG6 A 163 >ARG~A 82 -9.10 8.10 13.45 -10.21 10.52 14.91 -9.66 9.31 14.18 2 0 17.98 -999 ? C1 PG6 A 163 >GLN.A 83 -10.11 1.60 11.72 -11.90 0.62 12.22 -11.01 1.11 11.97 2 0 16.53 -999 ? C1 PG6 A 163 >HIS.A 84 -6.49 -1.98 7.23 -7.25 -3.88 7.68 -6.87 -2.93 7.45 3 0 13.86 -999 ? C1 PG6 A 163 >LEU^A 85 -9.78 1.05 3.32 -11.48 1.85 4.46 -10.63 1.45 3.89 3 0 8.88 -999 ? C1 PG6 A 163 >MET^A 86 -8.23 -2.37 0.76 -6.37 -6.11 0.24 -7.30 -4.24 0.50 2 0 12.58 -999 ? C2 PG6 A 163 >LEU^A 87 -9.57 -0.66 -3.53 -11.02 0.87 -3.29 -10.30 0.10 -3.41 3 0 7.33 -999 ? C1 PG6 A 163 >THR.A 88 -9.38 -5.14 -4.79 -10.32 -6.68 -3.58 -9.85 -5.91 -4.18 2 0 13.64 -999 ? C2 PG6 A 163 >ASP~A 89 -12.31 -4.27 -8.21 -12.78 -4.27 -10.31 -12.55 -4.27 -9.26 2 0 14.43 -999 ? C11 PG6 A 163 >PRO~A 90 -7.93 -0.55 -7.31 -10.09 -0.55 -7.93 -9.01 -0.55 -7.62 3 0 8.79 -999 ? C2 PG6 A 163 >GLY~A 91 -11.07 0.54 -11.61 -11.52 0.49 -10.93 -11.30 0.52 -11.27 1 0 11.24 -999 ? C11 PG6 A 163 >SER~A 92 -14.75 0.08 -10.79 -14.78 -2.21 -10.06 -14.76 -1.07 -10.43 2 0 13.90 -999 ? C1 PG6 A 163 >SER~A 93 -14.80 1.81 -7.39 -13.91 2.29 -5.21 -14.35 2.05 -6.30 2 0 8.38 -999 ? C1 PG6 A 163 >ASP.A 94 -18.46 4.77 -6.35 -18.73 4.15 -4.33 -18.59 4.46 -5.34 2 0 11.78 -999 ? C1 PG6 A 163 >LEU.A 95 -14.32 4.53 -2.62 -15.80 3.56 -1.40 -15.06 4.04 -2.01 3 0 8.15 -999 ? C1 PG6 A 163 >LEU.A 96 -11.20 6.01 -6.69 -10.21 4.59 -5.42 -10.70 5.30 -6.06 3 0 5.11 -999 ? C1 PG6 A 163 >THR~A 97 -11.79 9.87 -8.38 -10.44 11.55 -8.51 -11.12 10.71 -8.44 2 0 8.31 -999 ? C1 PG6 A 163 >PRO~A 98 -14.01 10.63 -12.23 -12.30 9.37 -11.48 -13.15 10.00 -11.86 3 0 11.50 -999 ? C1 PG6 A 163 >LYS~A 99 -8.48 9.99 -12.48 -5.61 13.68 -9.69 -7.04 11.84 -11.09 2 0 8.36 -999 ? C6 PG6 A 163 >LEU~A 100 -7.81 7.67 -8.23 -6.47 8.86 -6.94 -7.14 8.27 -7.59 3 0 5.26 -999 ? C3 PG6 A 163 >ARG~A 101 -13.68 4.82 -10.73 -15.38 7.41 -10.39 -14.53 6.12 -10.56 2 0 11.29 -999 ? C1 PG6 A 163 >LYS~A 102 -7.92 4.76 -14.31 -10.01 9.23 -16.24 -8.97 6.99 -15.28 2 0 12.23 -999 ? C9 PG6 A 163 >LEU~A 103 -3.97 6.22 -11.89 -3.63 8.14 -12.86 -3.80 7.18 -12.37 3 0 -4.70 -999 ? C9 PG6 A 163s >LEU~A 104 -5.56 2.53 -8.96 -4.54 3.89 -7.59 -5.05 3.21 -8.28 3 0 5.36 -999 ? O2 PG6 A 163 >ARG.A 105 -7.01 0.65 -16.34 -4.14 1.13 -17.39 -5.57 0.89 -16.87 2 0 6.54 -999 ? C11 PG6 A 163 >ASN.A 106 -3.62 -3.05 -13.73 -4.26 -3.17 -15.76 -3.94 -3.11 -14.74 2 0 7.50 -999 ? C11 PG6 A 163 >LEU^A 107 -3.23 -1.64 -8.71 -1.28 -0.91 -9.55 -2.25 -1.28 -9.13 3 0 5.08 -999 ? C12 PG6 A 163 >CYH^A 108 -5.09 -4.26 -5.62 -5.24 -5.90 -3.37 -5.16 -5.08 -4.49 2 0 11.77 -999 ? O2 PG6 A 163 >VAL^A 109 -4.50 -1.25 -3.23 -4.17 0.73 -4.10 -4.34 -0.26 -3.66 3 0 6.06 -999 ? O2 PG6 A 163 >LEU^A 110 -3.20 -2.44 1.13 -3.22 -3.18 3.16 -3.21 -2.81 2.15 3 0 10.42 -999 ? C2 PG6 A 163 >ALA^A 111 -4.38 1.98 2.36 -5.57 2.85 1.99 -4.98 2.41 2.17 2 0 5.96 -999 ? C2 PG6 A 163 >VAL^A 112 -2.88 2.00 5.86 -1.80 0.27 6.60 -2.34 1.13 6.23 3 0 10.89 -999 ? C2 PG6 A 163 >PRO^A 113 -5.14 4.22 8.97 -3.30 4.48 7.69 -4.22 4.35 8.33 3 0 11.16 -999 ? O1 PG6 A 163 >MET^A 114 -0.16 6.21 10.07 3.08 7.68 7.72 1.46 6.94 8.90 2 0 12.83 -999 ? C4 PG6 A 163 >VAL^A 115 -1.85 6.48 13.45 -3.86 5.70 13.71 -2.85 6.09 13.58 3 0 16.29 -999 ? O1 PG6 A 163 >VAL^A 116 -0.32 7.61 16.72 1.69 8.41 16.87 0.69 8.01 16.80 3 0 20.33 -999 ? O1 PG6 A 163 >ARG.A 117 -0.62 8.65 22.47 1.79 8.56 24.41 0.58 8.61 23.44 2 0 27.93 -999 ? O1 PG6 A 163 >THR.A 118 -5.89 8.58 18.20 -6.73 9.68 19.86 -6.31 9.13 19.03 2 0 22.42 -999 ? O1 PG6 A 163 >GLN^A 119 -4.22 12.71 17.10 -6.01 13.66 16.40 -5.12 13.18 16.75 2 0 19.93 -999 ? O1 PG6 A 163 >VAL^A 120 -3.76 10.16 11.72 -5.07 9.32 10.15 -4.42 9.74 10.93 3 0 13.69 -999 ? O1 PG6 A 163 >ILE^A 121 0.79 11.66 11.68 1.58 11.16 12.78 1.19 11.41 12.23 3 0 16.87 -999 ? O1 PG6 A 163 >GLY^A 122 0.01 10.16 7.28 -0.56 9.71 7.70 -0.27 9.93 7.49 1 0 11.81 -999 ? O1 PG6 A 163 >ALA^A 123 -0.82 7.20 5.08 -2.04 7.54 4.24 -1.43 7.37 4.66 2 0 7.72 -999 ? O1 PG6 A 163 >VAL^A 124 1.03 4.28 3.39 2.73 3.22 4.30 1.88 3.75 3.84 3 0 9.04 -999 ? C4 PG6 A 163 >PHE^A 125 -1.85 4.90 -0.31 -3.45 6.93 0.78 -2.65 5.92 0.23 3 0 4.21 -999 ? C2 PG6 A 163 >MET^A 126 0.80 -0.48 -1.16 2.48 -2.02 2.30 1.64 -1.25 0.57 2 0 11.22 -999 ? C4 PG6 A 163 >ALA^A 127 -0.12 -1.93 -4.53 -0.15 -0.83 -5.63 -0.13 -1.38 -5.08 2 0 6.17 -999 ? C12 PG6 A 163 >ARG^A 128 0.90 -7.84 -4.06 0.39 -9.80 -1.71 0.65 -8.82 -2.88 2 0 14.45 -999 ? C12 PG6 A 163 >THR^A 129 -1.33 -6.17 -9.83 0.25 -6.62 -11.20 -0.54 -6.40 -10.52 2 0 7.80 -999 ? C12 PG6 A 163 >ARG.A 130 -7.63 -5.16 -10.30 -10.11 -6.99 -10.70 -8.87 -6.07 -10.50 2 0 13.67 -999 ? C11 PG6 A 163 >ASP.A 131 -3.10 -11.27 -12.49 -1.26 -10.27 -12.63 -2.18 -10.77 -12.56 2 0 11.78 -999 ? O6 PG6 A 163 >ASN.A 132 -0.74 -10.81 -7.33 0.96 -10.86 -8.60 0.11 -10.84 -7.97 2 0 12.19 -999 ? C12 PG6 A 163 >PRO.A 133 -2.29 -14.54 -4.56 -3.25 -12.62 -5.22 -2.77 -13.58 -4.89 3 0 16.54 -999 ? C12 PG6 A 163 >PRO.A 134 -7.03 -10.76 -2.54 -4.90 -10.24 -3.06 -5.97 -10.50 -2.80 3 0 16.22 -999 ? C12 PG6 A 163 >PHE.A 135 -1.79 -6.48 0.11 -0.21 -4.93 -1.57 -1.00 -5.70 -0.73 3 0 11.97 -999 ? O2 PG6 A 163 >SER~A 136 -3.86 -11.37 3.14 -1.77 -12.50 3.82 -2.82 -11.93 3.48 2 0 19.78 -999 ? O2 PG6 A 163 >ASP~A 137 -5.70 -11.61 7.65 -7.76 -11.19 7.28 -6.73 -11.40 7.46 2 0 20.21 -999 ? C2 PG6 A 163 >ALA~A 138 -1.27 -12.17 7.67 -0.70 -13.53 7.30 -0.99 -12.85 7.48 2 0 22.35 -999 ? O2 PG6 A 163 >GLU~A 139 1.06 -10.78 3.13 0.56 -10.92 1.04 0.81 -10.85 2.08 2 0 17.14 -999 ? C12 PG6 A 163 >THR~A 140 -1.73 -6.84 6.52 -3.61 -6.08 5.78 -2.67 -6.46 6.15 2 0 15.04 -999 ? C2 PG6 A 163 >ALA~A 141 -0.95 -7.58 10.20 -1.07 -8.92 10.89 -1.01 -8.25 10.55 2 0 20.84 -999 ? C2 PG6 A 163 >ILE~A 142 3.61 -8.08 8.55 4.61 -9.01 8.30 4.11 -8.55 8.42 3 0 20.13 -999 ? O2 PG6 A 163 >ILE~A 143 1.42 -3.92 6.18 1.26 -3.76 4.80 1.34 -3.84 5.49 3 0 14.07 -999 ? O2 PG6 A 163 >ARG~A 144 -3.70 -3.50 9.95 -5.77 -3.58 12.19 -4.73 -3.54 11.07 2 0 17.98 -999 ? O1 PG6 A 163 >ASP~A 145 3.09 -4.64 13.20 1.76 -5.81 14.36 2.43 -5.22 13.78 2 0 22.12 -999 ? O2 PG6 A 163 >LEU~A 146 6.22 -2.47 9.77 7.75 -4.03 10.01 6.99 -3.25 9.89 3 0 18.97 -999 ? C4 PG6 A 163 >VAL~A 147 3.72 1.31 9.91 2.37 1.84 8.24 3.05 1.57 9.08 3 0 14.74 -999 ? C4 PG6 A 163 >SER~A 148 2.57 1.85 13.48 0.43 0.89 13.63 1.50 1.37 13.56 2 0 18.28 -999 ? O1 PG6 A 163 >HIS~A 149 6.66 -0.81 15.10 6.11 -2.71 15.76 6.38 -1.76 15.43 3 0 22.58 -999 ? C4 PG6 A 163 >ALA~A 150 7.30 4.16 12.07 7.32 3.94 10.49 7.31 4.05 11.28 2 0 17.29 -999 ? C4 PG6 A 163 >ALA~A 151 4.39 6.45 12.88 2.85 6.10 12.83 3.62 6.28 12.85 2 0 17.53 -999 ? C4 PG6 A 163 >LEU~A 152 5.39 5.38 17.47 5.28 5.33 19.55 5.34 5.35 18.51 3 0 23.69 -999 ? C4 PG6 A 163 >VAL~A 153 8.95 7.41 15.73 10.77 6.24 15.20 9.86 6.82 15.47 3 0 22.73 -999 ? C4 PG6 A 163 >VAL~A 154 7.97 10.08 13.15 7.48 10.13 10.99 7.73 10.11 12.07 3 0 19.11 -999 ? C4 PG6 A 163 >SER~A 155 5.55 11.65 15.61 4.62 10.30 17.35 5.09 10.97 16.48 2 0 22.64 -999 ? O1 PG6 A 163 >HIS~A 156 8.54 9.98 19.83 7.69 8.55 21.11 8.11 9.26 20.47 3 0 26.63 -999 ? C4 PG6 A 163 >MET~A 157 10.54 13.61 15.55 12.64 10.88 13.06 11.59 12.25 14.30 2 0 22.84 -999 ? C4 PG6 A 163 >GLN~A 158 6.99 14.92 11.92 5.40 14.24 10.61 6.19 14.58 11.27 2 0 18.20 -999 ? C4 PG6 A 163 >LEU~A 159 7.57 16.58 18.99 6.04 15.55 20.19 6.81 16.06 19.59 3 0 27.00 -999 ? O1 PG6 A 163 >PHE.A 160 12.05 18.29 18.24 12.41 17.17 20.76 12.23 17.73 19.50 3 0 29.73 -999 ? C4 PG6 A 163 >SER.B 9 -3.42 4.82 24.06 -3.95 2.56 24.79 -3.69 3.69 24.42 2 0 27.59 -999 ? O1 PG6 A 163 >GLY.B 10 -0.45 3.70 21.93 -1.10 3.24 22.11 -0.77 3.47 22.02 1 0 25.14 -999 ? O1 PG6 A 163 >LEU.B 11 -0.69 1.47 17.64 -2.14 2.87 16.83 -1.41 2.17 17.23 3 0 20.70 -999 ? O1 PG6 A 163 >THR.B 12 2.34 -0.75 20.44 4.24 -0.76 19.30 3.29 -0.75 19.87 2 0 24.51 -999 ? C5 PG6 B 163 >ASP~B 13 4.09 -1.22 24.72 3.29 -3.21 25.00 3.69 -2.21 24.86 2 0 22.58 -999 ? C5 PG6 B 163 >VAL~B 14 8.29 -2.39 24.00 10.08 -1.80 25.04 9.19 -2.10 24.52 3 0 19.28 -999 ? C5 PG6 B 163 >ASP~B 15 5.93 -6.06 25.96 5.23 -8.05 26.02 5.58 -7.05 25.99 2 0 18.19 -999 ? C5 PG6 B 163 >GLU~B 16 2.41 -5.18 22.09 1.71 -7.15 22.37 2.06 -6.16 22.23 2 0 22.06 -999 ? C5 PG6 B 163 >VAL~B 17 7.86 -4.88 19.51 8.82 -2.98 18.92 8.34 -3.93 19.21 3 0 19.69 -999 ? C5 PG6 B 163 >ILE~B 18 10.65 -7.66 22.44 12.09 -7.56 22.18 11.37 -7.61 22.31 3 0 14.19 -999 ? C5 PG6 B 163 >LYS~B 19 7.33 -10.24 20.40 2.25 -9.82 23.82 4.79 -10.03 22.11 2 0 20.24 -999 ? C5 PG6 B 163 >ASP~B 20 6.60 -7.60 16.37 4.59 -7.05 16.86 5.60 -7.32 16.61 2 0 21.47 -999 ? C5 PG6 B 163 >LEU~B 21 11.81 -8.37 17.13 13.89 -8.13 16.57 12.85 -8.25 16.85 3 0 15.41 -999 ? C5 PG6 B 163 >SER~B 22 10.90 -12.60 17.67 11.38 -12.26 20.01 11.14 -12.43 18.84 2 0 12.50 -999 ? C5 PG6 B 163 >ARG~B 23 4.63 -12.87 16.95 2.49 -14.21 15.13 3.56 -13.54 16.04 2 0 21.77 -999 ? C5 PG6 B 163 >LEU~B 24 9.78 -10.93 11.95 8.24 -9.88 10.80 9.01 -10.41 11.38 3 0 20.33 -999 ? C5 PG6 B 163 >LEU~B 25 13.98 -13.34 14.31 15.49 -11.74 14.63 14.74 -12.54 14.47 3 0 14.05 -999 ? O2 PG6 B 163 >ARG~B 26 12.23 -18.51 16.66 12.05 -21.43 17.57 12.14 -19.97 17.12 2 0 10.44 -999 ? O6 PG6 B 163 >LYS~B 27 9.73 -17.07 10.53 5.47 -16.20 7.17 7.60 -16.64 8.85 2 0 23.53 -999 ? O6 PG6 B 163 >LEU~B 28 12.69 -14.41 8.00 11.23 -13.26 7.01 11.96 -13.83 7.50 3 0 20.93 -999 ? O2 PG6 B 163 >VAL~B 29 15.64 -17.51 9.74 17.42 -16.28 9.91 16.53 -16.89 9.82 3 0 16.57 -999 ? O2 PG6 B 163 >LYS.B 30 15.21 -21.06 11.03 12.30 -24.44 8.02 13.75 -22.75 9.53 2 0 17.07 -999 ? O6 PG6 B 163 >THR.B 31 16.63 -21.38 14.60 16.35 -19.30 15.24 16.49 -20.34 14.92 2 0 10.97 -999 ? O6 PG6 B 163 >ARG.B 32 18.62 -26.10 19.71 17.56 -28.66 21.04 18.09 -27.38 20.37 2 0 -3.92 -999 ? C12 PG6 B 163s >TRP^B 33 17.70 -22.86 22.08 20.26 -19.99 22.87 18.98 -21.43 22.48 3 0 -4.25 -999 ? C11 PG6 B 163s >ILE^B 34 15.69 -16.09 19.20 14.75 -15.83 18.08 15.22 -15.96 18.64 3 0 9.68 -999 ? C5 PG6 B 163 >ALA^B 35 16.97 -14.98 23.38 17.96 -15.70 24.37 17.47 -15.34 23.87 2 0 3.89 -999 ? C5 PG6 B 163 >VAL^B 36 16.56 -11.20 23.59 15.18 -10.17 22.19 15.87 -10.69 22.89 3 0 9.01 -999 ? C5 PG6 B 163 >TYR^B 37 19.78 -10.78 27.10 20.04 -13.41 27.96 19.91 -12.10 27.53 3 0 -5.44 -999 ? C5 PG6 B 163s >PHE^B 38 15.81 -4.50 26.81 13.53 -4.66 25.23 14.67 -4.58 26.02 3 0 14.18 -999 ? C5 PG6 B 163 >PHE^B 39 23.78 -2.68 27.47 26.30 -2.03 28.50 25.04 -2.35 27.98 3 0 12.64 -999 ? C1 PG6 B 163 >ARG.B 44 26.24 0.66 31.87 23.98 1.65 33.82 25.11 1.16 32.85 2 0 18.47 -999 ? C1 PG6 B 163 >ASP.B 45 25.09 -6.75 33.15 23.57 -6.50 34.64 24.33 -6.62 33.89 2 0 12.65 -999 ? C1 PG6 B 163 >PHE^B 46 23.57 -7.53 27.53 25.11 -6.13 25.66 24.34 -6.83 26.60 3 0 8.30 -999 ? C1 PG6 B 163 >ALA^B 47 18.96 -8.26 31.33 18.23 -7.17 32.03 18.59 -7.71 31.68 2 0 11.92 -999 ? C5 PG6 B 163 >PRO^B 48 16.93 -11.98 32.06 17.16 -10.60 30.31 17.05 -11.29 31.18 3 0 8.38 -999 ? O3 PG6 B 163 >ALA^B 49 13.73 -9.68 27.93 13.99 -8.66 26.78 13.86 -9.17 27.35 2 0 11.07 -999 ? C5 PG6 B 163 >ARG^B 50 9.09 -12.29 23.80 6.58 -12.47 25.63 7.84 -12.38 24.72 2 0 15.05 -999 ? O3 PG6 B 163 >SER^B 51 13.06 -16.01 24.72 12.96 -17.74 26.43 13.01 -16.88 25.57 2 0 7.56 -999 ? O3 PG6 B 163 >THR^B 52 11.48 -18.17 22.11 10.13 -17.20 20.72 10.80 -17.69 21.42 2 0 12.14 -999 ? C5 PG6 B 163 >GLY.B 53 12.10 -21.89 21.70 12.33 -21.58 22.36 12.21 -21.73 22.03 1 0 8.52 -999 ? O6 PG6 B 163 >LEU.B 54 14.67 -21.59 25.91 16.57 -20.63 26.20 15.62 -21.11 26.06 3 0 5.19 -999 ? C7 PG6 B 163 >PRO~B 55 16.12 -26.48 25.56 14.18 -25.41 26.00 15.15 -25.95 25.78 3 0 4.61 -999 ? C11 PG6 B 163 >ALA~B 56 11.79 -25.88 29.63 10.82 -27.02 29.99 11.31 -26.45 29.81 2 0 10.40 -999 ? C11 PG6 B 163 >SER~B 57 14.76 -26.66 31.88 16.58 -27.84 30.78 15.67 -27.25 31.33 2 0 6.75 -999 ? C9 PG6 B 163 >PHE~B 58 18.45 -24.75 29.58 20.11 -26.97 29.52 19.28 -25.86 29.55 3 0 -3.42 -999 ? C9 PG6 B 163s >LEU~B 59 12.32 -21.16 31.18 11.08 -20.59 29.51 11.70 -20.88 30.35 3 0 8.71 -999 ? C7 PG6 B 163 >PRO~B 60 13.93 -22.66 35.46 14.61 -20.80 34.34 14.27 -21.73 34.90 3 0 8.89 -999 ? C7 PG6 B 163 >VAL~B 61 18.45 -19.99 33.79 20.08 -21.31 33.11 19.27 -20.65 33.45 3 0 5.13 -999 ? C7 PG6 B 163 >PHE~B 62 16.07 -16.51 29.16 15.29 -14.18 27.87 15.68 -15.35 28.52 3 0 5.55 -999 ? O3 PG6 B 163 >ARG~B 63 11.48 -16.56 33.94 10.63 -19.43 34.44 11.06 -17.99 34.19 2 0 11.32 -999 ? C7 PG6 B 163 >GLU~B 64 16.21 -16.41 37.86 15.92 -17.74 39.40 16.07 -17.08 38.63 2 0 12.06 -999 ? C7 PG6 B 163 >MET~B 65 21.24 -15.13 34.52 23.73 -17.91 32.31 22.49 -16.52 33.41 2 0 5.47 -999 ? C6 PG6 B 163 >PRO.B 66 21.64 -10.91 35.94 21.97 -12.12 34.06 21.80 -11.52 35.00 3 0 9.99 -999 ? O3 PG6 B 163 >LEU.B 67 24.77 -11.76 29.72 23.99 -13.63 28.90 24.38 -12.69 29.31 3 0 4.75 -999 ? C2 PG6 B 163 >ALA.B 68 28.04 -9.27 32.18 28.62 -9.35 33.61 28.33 -9.31 32.90 2 0 9.69 -999 ? C1 PG6 B 163 >PRO.B 69 28.97 -6.19 29.15 29.89 -8.10 29.93 29.43 -7.14 29.54 3 0 8.72 -999 ? C1 PG6 B 163 >ASP.B 70 33.09 -6.96 33.43 34.97 -6.16 34.09 34.03 -6.56 33.76 2 0 14.30 -999 ? C1 PG6 B 163 >LYS.B 71 32.91 -11.50 32.57 34.22 -10.91 37.78 33.56 -11.20 35.17 2 0 14.56 -999 ? C1 PG6 B 163 >ILE~B 72 30.69 -12.99 28.67 29.46 -13.73 28.66 30.08 -13.36 28.66 3 0 4.41 -999 ? C1 PG6 B 163 >PRO~B 73 36.34 -13.08 27.41 34.42 -12.06 26.89 35.38 -12.57 27.15 3 0 8.62 -999 ? C1 PG6 B 163 >LEU~B 74 31.73 -13.73 23.21 30.79 -14.35 21.38 31.26 -14.04 22.30 3 0 5.30 -999 ? C1 PG6 B 163 >LEU~B 75 29.17 -10.31 26.02 27.05 -10.37 26.25 28.11 -10.34 26.14 3 0 4.39 -999 ? C1 PG6 B 163 >LYS~B 76 32.56 -7.39 25.46 37.71 -5.59 25.73 35.13 -6.49 25.59 2 0 13.87 -999 ? C1 PG6 B 163 >SER~B 77 33.72 -7.63 21.80 35.49 -9.32 21.63 34.61 -8.48 21.72 2 0 10.63 -999 ? C1 PG6 B 163 >MET~B 78 30.14 -7.45 20.52 26.14 -8.83 21.09 28.14 -8.14 20.80 2 0 7.37 -999 ? C1 PG6 B 163 >LEU~B 79 29.40 -4.44 24.13 28.24 -3.23 25.55 28.82 -3.84 24.84 3 0 10.90 -999 ? C1 PG6 B 163 >ARG~B 80 35.35 -2.40 24.18 35.44 0.44 25.30 35.39 -0.98 24.74 2 0 17.16 -999 ? C1 PG6 B 163 >LYS~B 81 32.72 -3.28 18.05 37.08 -7.56 16.97 34.90 -5.42 17.51 2 0 14.91 -999 ? C1 PG6 B 163 >ARG~B 82 29.49 -0.35 19.02 30.44 1.77 21.13 29.96 0.71 20.07 2 0 17.26 -999 ? C1 PG6 B 163 >GLN.B 83 31.53 -5.74 14.16 33.54 -6.37 13.68 32.53 -6.05 13.92 2 0 15.82 -999 ? C1 PG6 B 163 >HIS.B 84 26.73 -10.08 12.92 27.24 -10.18 10.89 26.98 -10.13 11.91 3 0 14.16 -999 ? O1 PG6 B 163 >LEU^B 85 30.51 -12.11 17.42 31.97 -10.48 17.78 31.24 -11.30 17.60 3 0 9.56 -999 ? C1 PG6 B 163 >MET^B 86 29.17 -16.16 15.60 27.46 -18.27 12.38 28.31 -17.21 13.99 2 0 12.96 -999 ? O1 PG6 B 163 >LEU^B 87 30.72 -19.14 19.03 32.04 -17.98 20.21 31.38 -18.56 19.62 3 0 8.04 -999 ? O1 PG6 B 163 >THR.B 88 30.39 -22.40 15.67 31.41 -22.06 13.83 30.90 -22.23 14.75 2 0 13.94 -999 ? O1 PG6 B 163 >ASP~B 89 33.58 -24.55 18.02 33.47 -25.87 16.41 33.53 -25.21 17.21 2 0 15.28 -999 ? O1 PG6 B 163 >PRO~B 90 28.98 -22.61 21.02 31.20 -22.91 21.24 30.09 -22.76 21.13 3 0 9.08 -999 ? O1 PG6 B 163 >GLY~B 91 32.54 -25.57 23.85 32.95 -25.01 23.44 32.75 -25.29 23.65 1 0 11.64 -999 ? O5 PG6 B 163 >SER~B 92 36.14 -24.85 22.88 36.45 -25.05 20.44 36.30 -24.95 21.66 2 0 14.71 -999 ? O1 PG6 B 163 >SER~B 93 35.85 -21.07 22.98 34.97 -18.97 22.27 35.41 -20.02 22.63 2 0 9.56 -999 ? C1 PG6 B 163 >ASP.B 94 39.41 -18.57 25.00 39.63 -17.25 23.33 39.52 -17.91 24.16 2 0 12.96 -999 ? C1 PG6 B 163 >LEU.B 95 35.22 -15.57 23.28 36.76 -14.93 21.87 35.99 -15.25 22.57 3 0 9.37 -999 ? C1 PG6 B 163 >LEU.B 96 32.16 -18.79 26.34 30.72 -18.37 24.70 31.44 -18.58 25.52 3 0 5.87 -999 ? C1 PG6 B 163 >THR~B 97 32.81 -18.62 30.64 31.12 -18.58 32.01 31.97 -18.60 31.33 2 0 8.55 -999 ? C1 PG6 B 163 >PRO~B 98 34.77 -21.73 33.20 33.06 -21.58 31.71 33.91 -21.65 32.45 3 0 11.95 -999 ? C1 PG6 B 163 >LYS~B 99 29.23 -22.11 32.44 25.87 -18.59 35.93 27.55 -20.35 34.18 2 0 9.51 -999 ? C6 PG6 B 163 >LEU~B 100 28.60 -19.42 28.41 27.13 -17.88 28.77 27.86 -18.65 28.59 3 0 5.02 -999 ? C2 PG6 B 163 >ARG~B 101 34.71 -22.92 27.31 36.40 -21.17 29.20 35.56 -22.04 28.25 2 0 11.92 -999 ? C1 PG6 B 163 >LYS~B 102 28.94 -26.14 28.75 30.89 -29.79 31.90 29.91 -27.97 30.32 2 0 12.56 -999 ? O5 PG6 B 163 >LEU~B 103 25.03 -23.33 28.94 23.76 -23.27 30.77 24.39 -23.30 29.86 3 0 -4.29 -999 ? O4 PG6 B 163s >LEU~B 104 26.52 -22.45 24.37 25.40 -20.61 24.81 25.96 -21.53 24.59 3 0 5.00 -999 ? C3 PG6 B 163 >ARG.B 105 28.43 -29.63 26.38 25.71 -30.41 27.53 27.07 -30.02 26.95 2 0 7.33 -999 ? C10 PG6 B 163 >ASN.B 106 25.08 -29.39 21.86 26.07 -31.10 22.76 25.58 -30.25 22.31 2 0 7.69 -999 ? C12 PG6 B 163 >LEU^B 107 24.26 -24.33 20.37 22.37 -24.77 21.31 23.32 -24.55 20.84 3 0 4.88 -999 ? O6 PG6 B 163 >CYH^B 108 26.16 -22.68 16.95 26.47 -21.45 14.43 26.32 -22.07 15.69 2 0 11.75 -999 ? C3 PG6 B 163 >VAL^B 109 25.36 -19.23 18.46 25.03 -19.15 20.63 25.19 -19.19 19.54 3 0 6.02 -999 ? C3 PG6 B 163 >LEU^B 110 24.22 -15.76 15.45 24.45 -14.17 13.96 24.34 -14.97 14.70 3 0 10.46 -999 ? O1 PG6 B 163 >ALA^B 111 25.27 -12.81 18.92 26.41 -12.69 19.91 25.84 -12.75 19.41 2 0 5.80 -999 ? O1 PG6 B 163 >VAL^B 112 23.61 -9.71 17.38 22.31 -9.99 15.61 22.96 -9.85 16.49 3 0 10.71 -999 ? O1 PG6 B 163 >PRO^B 113 25.67 -5.76 17.68 23.91 -6.88 18.64 24.79 -6.32 18.16 3 0 11.36 -999 ? C1 PG6 B 163 >MET^B 114 20.66 -3.99 19.03 17.44 -5.80 21.15 19.05 -4.89 20.09 2 0 12.88 -999 ? O2 PG6 B 163 >VAL^B 115 22.20 -0.67 17.96 24.36 -0.82 17.43 23.28 -0.74 17.69 3 0 16.40 -999 ? C1 PG6 B 163 >VAL^B 116 20.89 2.85 17.36 18.93 3.53 18.08 19.91 3.19 17.72 3 0 20.74 -999 ? C1 PG6 B 163 >ARG.B 117 21.49 8.60 15.65 18.73 8.25 17.01 20.11 8.42 16.33 2 0 25.81 -999 ? C1 PG6 B 163 >THR.B 118 26.44 3.61 17.77 27.75 5.37 17.59 27.10 4.49 17.68 2 0 21.51 -999 ? C1 PG6 B 163 >GLN^B 119 23.26 3.71 23.18 22.08 5.17 24.25 22.67 4.44 23.72 2 0 20.44 -999 ? C1 PG6 B 163 >VAL^B 120 24.03 -0.60 22.09 25.32 -2.32 21.99 24.67 -1.46 22.04 3 0 13.82 -999 ? C1 PG6 B 163 >ILE^B 121 19.41 -0.13 23.22 18.63 0.55 22.29 19.02 0.21 22.75 3 0 17.11 -999 ? C1 PG6 B 163 >GLY^B 122 20.28 -4.76 23.77 20.89 -4.55 23.19 20.58 -4.66 23.48 1 0 12.08 -999 ? C2 PG6 B 163 >ALA^B 123 21.26 -8.01 22.08 22.52 -8.55 22.78 21.89 -8.28 22.43 2 0 8.10 -999 ? C1 PG6 B 163 >VAL^B 124 19.64 -10.97 20.31 17.95 -10.77 18.95 18.79 -10.87 19.63 3 0 9.04 -999 ? O2 PG6 B 163 >PHE^B 125 22.53 -13.93 22.63 24.09 -12.05 23.92 23.31 -12.99 23.28 3 0 -4.02 -999 ? C2 PG6 B 163s >MET^B 126 20.20 -17.01 18.00 19.00 -14.15 15.14 19.60 -15.58 16.57 2 0 11.03 -999 ? O2 PG6 B 163 >ALA^B 127 21.08 -20.70 18.17 20.94 -21.25 19.56 21.01 -20.98 18.87 2 0 6.23 -999 ? O6 PG6 B 163 >ARG^B 128 21.06 -22.45 12.32 20.34 -21.04 9.69 20.70 -21.74 11.01 2 0 14.63 -999 ? O6 PG6 B 163 >THR^B 129 22.38 -27.21 16.60 20.84 -28.63 16.26 21.61 -27.92 16.43 2 0 7.85 -999 ? O6 PG6 B 163 >ARG.B 130 28.73 -27.30 18.30 31.23 -28.95 17.53 29.98 -28.12 17.91 2 0 13.49 -999 ? C12 PG6 B 163 >ASP.B 131 23.77 -31.64 13.61 24.83 -33.11 14.70 24.30 -32.37 14.16 2 0 12.26 -999 ? C12 PG6 B 163 >ASN.B 132 21.52 -27.38 11.39 20.11 -28.89 11.85 20.81 -28.13 11.62 2 0 12.02 -999 ? O6 PG6 B 163 >PRO.B 133 22.73 -26.08 6.95 23.80 -25.77 8.88 23.27 -25.93 7.92 3 0 16.02 -999 ? O6 PG6 B 163 >PRO.B 134 27.70 -22.74 9.24 25.60 -22.89 10.04 26.65 -22.81 9.64 3 0 15.90 -999 ? O6 PG6 B 163 >PHE.B 135 22.97 -18.18 11.98 21.44 -19.02 14.14 22.21 -18.60 13.06 3 0 12.24 -999 ? O2 PG6 B 163 >SER~B 136 24.89 -17.48 6.37 22.84 -17.38 5.04 23.87 -17.43 5.70 2 0 20.03 -999 ? C3 PG6 B 163 >ASP~B 137 26.72 -13.54 4.14 28.73 -13.57 4.87 27.72 -13.55 4.51 2 0 20.36 -999 ? O1 PG6 B 163 >ALA~B 138 22.18 -13.84 3.52 21.61 -14.87 2.49 21.90 -14.36 3.01 2 0 22.76 -999 ? C3 PG6 B 163 >GLU~B 139 20.09 -17.20 6.76 20.48 -19.14 7.46 20.28 -18.17 7.11 2 0 17.39 -999 ? O6 PG6 B 163 >THR~B 140 22.60 -12.18 8.80 24.69 -12.67 8.98 23.65 -12.43 8.89 2 0 16.32 -999 ? O1 PG6 B 163 >ALA~B 141 21.54 -9.42 6.35 21.69 -9.41 4.87 21.62 -9.42 5.61 2 0 21.50 -999 ? O1 PG6 B 163 >ILE~B 142 17.29 -11.65 6.86 16.44 -12.60 6.30 16.86 -12.12 6.58 3 0 20.05 -999 ? O2 PG6 B 163 >ILE~B 143 19.59 -11.24 11.50 19.99 -12.29 12.37 19.79 -11.76 11.94 3 0 14.46 -999 ? O2 PG6 B 163 >ARG~B 144 23.00 -4.63 8.86 24.82 -2.24 7.99 23.91 -3.44 8.42 2 0 21.60 -999 ? O1 PG6 B 163 >ASP~B 145 16.87 -5.76 7.66 18.08 -5.33 5.96 17.48 -5.55 6.81 2 0 22.84 -999 ? O2 PG6 B 163 >LEU~B 146 14.48 -8.06 11.64 13.02 -9.10 10.50 13.75 -8.58 11.07 3 0 18.65 -999 ? O2 PG6 B 163 >VAL~B 147 16.97 -5.90 14.53 18.35 -7.14 15.77 17.66 -6.52 15.15 3 0 15.24 -999 ? O2 PG6 B 163 >SER~B 148 17.79 -2.31 13.44 18.70 -0.47 12.19 18.24 -1.39 12.82 2 0 21.12 -999 ? O1 PG6 B 163 >HIS~B 149 11.72 -1.81 12.31 9.69 -1.36 12.63 10.70 -1.58 12.47 3 0 22.10 -999 ? C4 PG6 A 163 >ALA~B 150 13.29 -2.91 16.43 13.38 -4.37 16.90 13.34 -3.64 16.67 2 0 17.65 -999 ? O2 PG6 B 163 >ALA~B 151 16.21 -1.07 18.07 17.68 -1.21 17.69 16.94 -1.14 17.88 2 0 18.02 -999 ? O2 PG6 B 163 >LEU~B 152 15.13 2.84 15.45 15.09 4.96 14.89 15.11 3.90 15.17 3 0 24.23 -999 ? O2 PG6 B 163 >VAL~B 153 11.49 1.89 17.92 9.79 1.23 16.79 10.64 1.56 17.35 3 0 23.30 -999 ? C5 PG6 B 163 >VAL~B 154 12.43 0.43 21.27 12.92 -1.53 22.08 12.67 -0.55 21.67 3 0 19.26 -999 ? C5 PG6 B 163 >SER~B 155 14.87 3.23 21.96 15.99 4.05 19.92 15.43 3.64 20.94 2 0 22.44 -999 ? C1 PG6 B 163 >HIS~B 156 12.23 7.03 18.91 13.10 8.52 17.72 12.66 7.77 18.32 3 0 26.66 -999 ? C4 PG6 A 163 >MET~B 157 9.73 4.13 23.49 7.76 0.94 21.71 8.75 2.54 22.60 2 0 22.96 -999 ? C5 PG6 B 163 >GLN~B 158 13.08 1.33 26.33 14.73 -0.07 26.20 13.90 0.63 26.26 2 0 18.32 -999 ? C5 PG6 B 163 >LEU~B 159 14.10 7.88 24.97 15.82 9.17 25.43 14.96 8.52 25.20 3 0 26.12 -999 ? C1 PG6 B 163 >PHE~B 160 11.07 10.29 23.38 13.43 11.31 22.35 12.25 10.80 22.86 3 0 29.56 -999 ? C1 PG6 B 163 >ASP~B 161 6.54 5.94 25.32 6.13 6.89 23.46 6.34 6.42 24.39 2 0 28.50 -999 ? C5 PG6 B 163 >GLU.B 162 8.74 2.41 28.51 10.09 0.73 28.58 9.42 1.57 28.55 2 0 21.14 -999 ? C5 PG6 B 163